583725 OpenBabel12061010053D 7 6 0 0 0 0 0 0 0 0999 V2000 -4.9860 -28.9470 10.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0200 -31.8120 11.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9080 -27.2910 8.9820 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4750 -30.0230 11.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8590 -29.4620 9.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3800 -30.5910 12.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3200 -28.3790 8.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 M END $$$$ 583726 OpenBabel12061010053D 6 5 0 0 0 0 0 0 0 0999 V2000 67.6570 71.6740 1.3350 S 0 0 0 0 0 0 0 0 0 0 0 0 66.2310 71.5690 1.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 68.2250 72.9710 1.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 68.1270 71.0850 0.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 68.3250 70.6750 2.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 69.5490 70.3740 2.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 5 6 2 0 0 0 0 M END $$$$ 583756 OpenBabel12061010053D 16 15 0 0 0 0 0 0 0 0999 V2000 142.2290 99.0910 2.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 143.7440 98.4200 7.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 143.9060 99.4360 0.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 143.6560 101.2780 -0.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 143.7400 100.7340 2.6650 N 0 0 0 0 0 0 0 0 0 0 0 0 143.3540 99.9400 5.4750 N 0 0 0 0 0 0 0 0 0 0 0 0 143.9900 101.9440 7.4380 N 0 0 0 0 0 0 0 0 0 0 0 0 143.1000 99.6200 3.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 143.5200 98.9970 4.3620 C 0 0 2 0 0 0 0 0 0 0 0 0 143.4550 101.4690 1.4290 C 0 0 2 0 0 0 0 0 0 0 0 0 143.4850 99.5780 6.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 143.6950 100.6660 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 143.2980 100.6800 7.8080 C 0 0 2 0 0 0 0 0 0 0 0 0 142.7120 97.7190 4.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 144.2790 102.7730 1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 141.8190 100.9550 8.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 11 2 0 0 0 0 3 12 2 0 0 0 0 4 12 1 0 0 0 0 5 8 1 0 0 0 0 6 11 1 0 0 0 0 9 8 1 1 0 0 0 9 6 1 0 0 0 0 9 14 1 0 0 0 0 10 5 1 6 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 13 11 1 6 0 0 0 13 7 1 0 0 0 0 13 16 1 0 0 0 0 M END $$$$ 583771 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 30.6040 39.5550 19.8220 P 0 0 0 0 0 0 0 0 0 0 0 0 29.6970 40.7840 19.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 31.7220 40.1240 20.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 31.2020 38.9090 18.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 29.6480 38.6870 20.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3540 43.1790 17.9260 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6550 42.3450 16.8130 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8460 40.8330 18.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6490 42.2370 17.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3040 39.6540 17.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 8 1 0 0 0 0 6 9 2 0 0 0 0 7 9 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 M END $$$$ 583773 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 8.5030 90.3190 23.4480 P 0 0 0 0 0 0 0 0 0 0 0 0 6.3890 88.6330 23.5610 P 0 0 0 0 0 0 0 0 0 0 0 0 9.7500 92.1510 19.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 90.4290 21.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9640 90.0530 23.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3420 89.0750 18.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2250 90.6490 17.7080 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4870 89.1750 23.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0290 91.7680 23.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4530 87.7680 24.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9360 88.1060 22.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3540 89.1010 24.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8030 91.2130 20.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0360 91.0000 22.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3620 92.6110 18.9920 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3780 93.1090 20.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8070 92.3050 22.3040 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6780 91.1520 19.2670 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9010 91.9000 20.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9180 89.8470 19.2090 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4160 91.6470 19.7670 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4910 90.3190 19.0620 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7150 91.7500 21.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8620 90.6880 21.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8970 91.5550 21.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0240 92.4160 21.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5690 93.1930 19.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 18 13 1 1 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 6 1 6 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 1 0 0 0 22 7 1 6 0 0 0 23 26 2 0 0 0 0 M END $$$$ 583775 OpenBabel12061010053D 31 34 0 0 0 0 0 0 0 0999 V2000 52.9900 28.6000 -60.5680 O 0 0 0 0 0 0 0 0 0 0 0 0 56.0200 19.5480 -56.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 58.3390 32.2980 -59.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 53.9710 24.4200 -60.0910 N 0 0 0 0 0 0 0 0 0 0 0 0 55.9370 26.3200 -60.1230 N 0 0 0 0 0 0 0 0 0 0 0 0 54.7160 27.7360 -61.6460 N 0 0 0 0 0 0 0 0 0 0 0 0 53.7930 25.5310 -60.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 55.1180 24.2490 -59.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 54.8010 26.5230 -60.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 55.3300 23.0650 -58.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 56.1080 25.2210 -59.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 52.5010 25.7150 -61.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 53.8720 28.7250 -61.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 52.4770 24.9430 -62.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 54.8400 21.8360 -59.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 56.0810 23.1140 -57.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 55.7990 20.7280 -57.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 54.0200 30.0200 -62.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 55.0760 20.6670 -58.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 56.2910 21.9550 -56.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 55.1780 30.6460 -61.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 52.2070 25.6040 -64.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 52.7070 23.5580 -62.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 56.4830 30.5420 -61.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 54.9160 31.2600 -60.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 57.2720 31.7320 -59.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 57.5420 31.1010 -61.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 55.9620 31.8130 -59.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 52.1820 24.8880 -65.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 52.6850 22.8430 -64.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 52.4230 23.5100 -65.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 17 1 0 0 0 0 3 26 1 0 0 0 0 4 7 1 0 0 0 0 4 8 2 0 0 0 0 5 9 1 0 0 0 0 5 11 2 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 12 14 1 0 0 0 0 13 18 1 0 0 0 0 14 22 2 0 0 0 0 14 23 1 0 0 0 0 15 19 1 0 0 0 0 16 20 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 29 1 0 0 0 0 23 30 2 0 0 0 0 24 27 1 0 0 0 0 25 28 2 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 29 31 2 0 0 0 0 30 31 1 0 0 0 0 M END $$$$ 583779 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 32.2940 45.8260 42.0270 S 0 0 0 0 0 0 0 0 0 0 0 0 33.0160 46.9510 42.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 31.3500 45.2440 42.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 31.7290 46.1260 40.7370 O 0 0 0 0 0 0 0 0 0 0 0 0 37.5290 39.1880 38.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 33.7410 42.1040 41.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 35.4850 39.8950 40.3110 N 0 0 0 0 0 0 0 0 0 0 0 0 33.5480 44.6010 41.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9930 43.4150 40.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1600 40.9280 40.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2440 42.3450 40.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0200 39.6870 40.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 36.0620 41.0600 41.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 36.4240 38.7610 40.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 37.5160 38.4010 39.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 M END $$$$ 583797 OpenBabel12061010053D 18 19 0 0 0 0 0 0 0 0999 V2000 18.6840 46.0750 6.1140 S 0 0 0 0 0 0 0 0 0 0 0 0 19.4780 44.7750 1.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1730 46.2720 5.5450 N 0 3 0 0 0 0 0 0 0 0 0 0 13.2810 43.0950 5.7960 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5430 44.3720 3.8580 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7650 43.9370 7.2650 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7810 46.2280 4.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1240 46.1150 4.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0720 45.2630 5.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8550 46.3410 5.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0440 46.2020 6.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0620 44.1130 6.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3400 45.3600 4.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5950 43.0920 4.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1840 46.0620 3.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0550 46.2700 3.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2880 44.6410 2.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6510 41.9440 4.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 17 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 3 11 2 0 0 0 0 4 12 2 0 0 0 0 4 14 1 0 0 0 0 5 13 1 0 0 0 0 5 14 2 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 7 16 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 13 2 0 0 0 0 14 18 1 0 0 0 0 15 17 1 0 0 0 0 M CHG 1 3 1 M END $$$$ 583804 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 38.0320 38.2000 25.1100 P 0 0 0 0 0 0 0 0 0 0 0 0 37.1310 37.0740 25.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 37.2800 31.5790 25.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 37.6320 38.8170 23.7280 O 0 0 0 0 0 0 0 0 0 0 0 0 39.5350 37.7330 24.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 37.9860 39.3460 26.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 35.1290 33.5320 27.5930 N 0 0 0 0 0 0 0 0 0 0 0 0 37.7450 33.5010 23.4720 N 0 0 0 0 0 0 0 0 0 0 0 0 36.7300 35.0300 26.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1880 33.9330 25.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 36.6320 32.6680 25.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5430 32.4520 26.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 37.2540 36.4170 26.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 35.6680 34.8130 27.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 38.1300 34.0060 24.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7630 31.2110 26.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 M END $$$$ 583816 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 53.6930 18.5450 2.0690 Cl 0 0 0 0 0 0 0 0 0 0 0 0 56.5010 16.7610 -2.1940 Cl 0 0 0 0 0 0 0 0 0 0 0 0 51.4140 17.9850 5.8010 S 0 0 0 0 0 0 0 0 0 0 0 0 51.4790 16.9400 0.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 48.1470 16.5340 1.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 50.0060 16.5380 3.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 52.6240 16.8650 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 53.7430 17.5700 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 54.9720 16.7880 -1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 54.9230 17.5340 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 52.6920 16.1130 -1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 53.8770 16.0720 -1.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 50.2500 16.2670 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 49.3660 16.4580 1.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 49.4100 17.0470 4.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 50.2470 16.6520 5.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 3 16 1 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 10 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 M END $$$$ 583830 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 -11.8730 -9.8210 74.5650 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1230 -8.9720 75.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2950 -11.3870 76.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5720 -11.0710 77.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0410 -5.8300 73.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9470 -7.8150 73.4340 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.8550 -7.9090 73.1460 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.8780 -8.4820 74.3450 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.1070 -9.5550 75.1170 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.0410 -10.3640 76.0110 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.1140 -9.0570 73.6270 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.1750 -10.9130 75.1460 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.1590 -11.7770 75.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0690 -6.5370 73.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9560 -5.9750 72.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 583837 OpenBabel12061010053D 15 14 0 0 0 0 0 0 0 0999 V2000 54.1660 6.5470 8.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 52.1710 6.5540 6.1190 O 0 0 0 0 0 0 0 0 0 0 0 0 56.4220 4.6030 8.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 49.0410 8.4130 7.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 49.6170 7.3970 9.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 50.9080 5.0760 7.3850 N 0 0 0 0 0 0 0 0 0 0 0 0 54.2700 4.0670 7.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 53.3530 5.3310 7.9890 C 0 0 2 0 0 0 0 0 0 0 0 0 52.0550 5.6770 7.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 55.4230 3.6040 8.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 54.9570 4.5990 6.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 53.4520 2.8260 7.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 49.6790 5.2500 6.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 48.5740 6.0530 7.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 49.1190 7.3540 7.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 2 9 2 0 0 0 0 3 10 1 0 0 0 0 4 15 2 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 7 1 6 0 0 0 8 1 1 0 0 0 0 8 9 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 M END $$$$ 583847 OpenBabel12061010053D 9 8 0 0 0 0 0 0 0 0999 V2000 -3.9940 45.7300 74.4270 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.7880 45.5000 72.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9310 44.7140 74.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5450 47.1430 74.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6970 45.5530 75.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3330 46.2640 69.8510 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7560 43.9410 69.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8930 45.1800 71.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6300 45.1170 70.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 8 1 0 0 0 0 6 9 2 0 0 0 0 7 9 1 0 0 0 0 8 9 1 0 0 0 0 M END $$$$ 583855 OpenBabel12061010053D 9 8 0 0 0 0 0 0 0 0999 V2000 35.6200 14.6120 8.1400 P 0 0 0 0 0 0 0 0 0 0 0 0 35.2160 13.5340 9.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 34.3810 15.2030 7.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 36.4830 13.8760 7.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 36.4870 15.6870 8.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 32.8700 11.2790 10.7040 O 0 0 0 0 0 0 0 0 0 0 0 0 35.0730 11.6730 11.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 34.1520 12.6310 9.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9970 11.8310 10.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 8 1 0 0 0 0 6 9 2 0 0 0 0 7 9 1 0 0 0 0 8 9 1 0 0 0 0 M END $$$$ 583861 OpenBabel12061010053D 7 6 0 0 0 0 0 0 0 0999 V2000 21.7830 -3.8490 6.6130 P 0 0 0 0 0 0 0 0 0 0 0 0 22.4750 -3.1050 5.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8710 -2.7890 7.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9090 -4.5130 7.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7250 -3.7000 5.8810 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6910 -5.1840 5.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2050 -4.8290 6.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 5 7 2 0 0 0 0 6 7 1 0 0 0 0 M END $$$$ 583889 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 10.6330 -4.8720 27.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6540 -7.2500 30.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7810 -4.6350 30.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8830 -7.6060 27.8160 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0590 -6.2700 26.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0010 -2.9150 27.0990 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3120 -6.2690 29.7660 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4560 -5.3020 29.5340 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8570 -6.8550 28.4270 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8920 -4.2600 28.5930 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5080 -5.7150 27.4720 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8310 -3.0790 28.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 583899 OpenBabel12061010053D 8 7 0 0 0 0 0 0 0 0999 V2000 -37.7220 -16.8440 4.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 -36.3600 -14.5670 6.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 -35.5420 -17.2870 6.9730 N 0 0 0 0 0 0 0 0 0 0 0 0 -35.8450 -15.6750 4.2490 N 0 0 0 0 0 0 0 0 0 0 0 0 -36.7540 -16.8500 6.2950 C 0 0 2 0 0 0 0 0 0 0 0 0 -36.7980 -16.4340 4.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -37.2270 -15.6940 7.1450 C 0 0 1 0 0 0 0 0 0 0 0 0 -37.2650 -16.1110 8.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 4 6 1 0 0 0 0 5 3 1 6 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 M END $$$$ 583901 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 15.9560 31.1760 71.0440 P 0 0 0 0 0 0 0 0 0 0 0 0 17.9060 29.1170 70.4020 P 0 0 0 0 0 0 0 0 0 0 0 0 14.9350 34.2010 67.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4840 32.0480 69.7950 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4960 29.9400 70.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2140 37.0660 68.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6590 35.2840 70.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7300 30.8640 71.8070 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9920 31.9060 71.8320 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9620 30.1250 70.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1380 28.3630 69.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7120 28.2010 71.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1280 35.3610 68.7690 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3450 34.5680 69.8720 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0340 37.1040 67.5100 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6330 37.1530 67.9160 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5240 35.7080 69.4270 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4580 35.4570 68.2100 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0500 36.1040 68.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4350 36.0840 69.1830 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2390 33.9760 68.4840 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2670 34.9230 69.7070 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9540 35.5970 69.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6680 34.5130 69.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4060 32.4720 68.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6610 36.1450 68.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8170 37.5490 67.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 1 0 0 0 0 15 27 2 0 0 0 0 16 26 2 0 0 0 0 16 27 1 0 0 0 0 17 26 1 0 0 0 0 18 13 1 1 0 0 0 18 20 1 0 0 0 0 19 23 2 0 0 0 0 20 6 1 6 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 1 0 0 0 22 7 1 6 0 0 0 23 26 1 0 0 0 0 M END $$$$ 583936 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 35.3880 18.8040 24.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 31.5240 19.0830 23.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 33.4850 17.7450 21.8150 O 0 0 0 0 0 0 0 0 0 0 0 0 32.8860 20.2460 25.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 34.7570 19.2590 26.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 35.9280 17.8360 21.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 32.6550 18.3260 23.9750 C 0 0 1 0 0 0 0 0 0 0 0 0 33.7760 18.5130 22.9710 C 0 0 1 0 0 0 0 0 0 0 0 0 33.0390 18.8370 25.3600 C 0 0 1 0 0 0 0 0 0 0 0 0 35.1310 18.0930 23.5410 C 0 0 1 0 0 0 0 0 0 0 0 0 34.4580 18.4680 25.7950 C 0 0 1 0 0 0 0 0 0 0 0 0 36.2620 18.4160 22.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 583937 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 42.1660 13.6840 15.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 41.3770 9.9200 13.8780 O 0 0 0 0 0 0 0 0 0 0 0 0 42.4090 12.2430 12.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 39.9040 10.9060 16.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 40.2280 13.7810 16.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 44.2910 15.1520 15.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 41.8810 10.8750 14.8100 C 0 0 1 0 0 0 0 0 0 0 0 0 42.9330 11.7480 14.1160 C 0 0 2 0 0 0 0 0 0 0 0 0 40.7170 11.7250 15.3750 C 0 0 2 0 0 0 0 0 0 0 0 0 43.3340 12.9160 15.0220 C 0 0 1 0 0 0 0 0 0 0 0 0 41.2580 12.9300 16.1830 C 0 0 1 0 0 0 0 0 0 0 0 0 44.3280 13.8730 14.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 583948 OpenBabel12061010053D 4 3 0 0 0 0 0 0 0 0999 V2000 76.7550 28.9650 20.3400 S 0 0 0 0 0 0 0 0 0 0 0 0 78.9710 26.9200 20.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 76.6220 27.1800 20.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 77.8750 26.3680 20.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 3 4 1 0 0 0 0 M END $$$$ 583951 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 33.2820 29.2150 31.5520 P 0 0 0 0 0 0 0 0 0 0 0 0 37.1230 33.8060 35.5080 P 0 0 0 0 0 0 0 0 0 0 0 0 33.0410 33.4450 34.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 33.5270 30.1800 32.8200 O 0 0 0 0 0 0 0 0 0 0 0 0 30.9550 30.9090 33.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 35.7020 33.0550 35.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 31.8540 29.4340 31.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 33.5250 27.8160 32.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 34.3040 29.6420 30.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 38.2030 32.8950 34.9550 O 0 0 0 0 0 0 0 0 0 0 0 0 37.2140 33.9860 37.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 37.0260 35.1180 34.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 30.9970 34.3250 33.3930 N 0 0 0 0 0 0 0 0 0 0 0 0 29.6140 36.0750 33.6850 N 0 0 0 0 0 0 0 0 0 0 0 0 31.5380 34.6400 31.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 30.3740 36.5400 30.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 28.9510 37.9020 31.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 31.7280 33.1040 33.7630 C 0 0 1 0 0 0 0 0 0 0 0 0 31.8040 31.9750 32.7220 C 0 0 1 0 0 0 0 0 0 0 0 0 33.2980 31.5900 32.7190 C 0 0 1 0 0 0 0 0 0 0 0 0 33.8450 32.2570 33.9740 C 0 0 1 0 0 0 0 0 0 0 0 0 30.9470 34.9860 32.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0860 36.0560 32.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1870 35.0360 34.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2990 32.6340 33.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7870 36.8580 31.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1900 35.4770 30.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 6 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 6 25 1 0 0 0 0 13 22 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 22 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 18 13 1 6 0 0 0 18 19 1 0 0 0 0 19 5 1 1 0 0 0 19 20 1 0 0 0 0 20 4 1 1 0 0 0 20 21 1 0 0 0 0 21 25 1 6 0 0 0 22 23 1 0 0 0 0 23 26 2 0 0 0 0 M END $$$$ 583954 OpenBabel12061010053D 20 20 0 0 0 0 0 0 0 0999 V2000 25.7740 77.3000 16.2780 S 0 0 0 0 0 0 0 0 0 0 0 0 34.4240 77.1220 14.2600 S 0 0 0 0 0 0 0 0 0 0 0 0 30.1620 76.7020 15.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 33.0870 77.3860 15.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7140 75.5630 18.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 31.5940 76.0390 18.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1140 78.6960 15.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4230 75.8490 16.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0310 77.8640 14.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8090 78.0830 17.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 35.0890 78.4240 14.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 34.0080 76.5130 12.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 35.2410 76.2110 15.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1580 77.3770 17.1770 N 0 0 0 0 0 0 0 0 0 0 0 0 28.2990 76.6190 16.7160 C 0 0 2 0 0 0 0 0 0 0 0 0 29.2780 76.4440 17.8840 C 0 0 2 0 0 0 0 0 0 0 0 0 30.6420 75.9100 17.4150 C 0 0 1 0 0 0 0 0 0 0 0 0 31.1410 76.7190 16.2240 C 0 0 1 0 0 0 0 0 0 0 0 0 28.9430 77.3340 15.5150 C 0 0 2 0 0 0 0 0 0 0 0 0 32.4310 76.2210 15.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 1 9 2 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 2 4 1 0 0 0 0 2 11 2 0 0 0 0 2 12 2 0 0 0 0 2 13 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 20 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 5 1 6 0 0 0 16 17 1 0 0 0 0 17 6 1 1 0 0 0 17 18 1 0 0 0 0 18 20 1 6 0 0 0 19 7 1 1 0 0 0 M END $$$$ 583955 OpenBabel12061010053D 17 17 0 0 0 0 0 0 0 0999 V2000 28.7160 81.0450 10.1920 S 0 0 0 0 0 0 0 0 0 0 0 0 28.0650 80.7890 11.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7190 81.6690 15.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3370 78.5010 12.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1140 78.6960 15.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 28.9200 83.1700 13.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6480 80.7680 9.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 29.8610 80.1200 10.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1420 82.4330 10.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 31.4400 80.4060 17.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 29.7780 81.8020 17.4760 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8990 80.8580 12.8190 C 0 0 2 0 0 0 0 0 0 0 0 0 28.8740 79.4910 13.4980 C 0 0 2 0 0 0 0 0 0 0 0 0 29.7500 79.4890 14.7670 C 0 0 1 0 0 0 0 0 0 0 0 0 28.3710 81.9470 13.7550 C 0 0 1 0 0 0 0 0 0 0 0 0 29.9550 80.9280 15.2600 C 0 0 2 0 0 0 0 0 0 0 0 0 30.4230 81.0520 16.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 10 17 2 0 0 0 0 11 17 1 0 0 0 0 12 2 1 1 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 4 1 6 0 0 0 13 14 1 0 0 0 0 14 5 1 1 0 0 0 14 16 1 0 0 0 0 15 6 1 1 0 0 0 16 17 1 1 0 0 0 M END $$$$ 583966 OpenBabel12061010053D 24 24 0 0 0 0 0 0 0 0999 V2000 49.0130 -1.7610 40.5570 S 0 0 0 0 0 0 0 0 0 0 0 0 50.0390 -6.3720 40.3940 S 0 0 0 0 0 0 0 0 0 0 0 0 44.3350 -3.2360 35.5410 S 0 0 0 0 0 0 0 0 0 0 0 0 48.2900 -4.4290 37.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 48.7140 -3.1380 40.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 50.5850 -5.2470 39.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 46.2840 -4.7140 39.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 50.3670 -5.5170 37.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 45.3170 -3.8780 36.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 48.4710 -1.3470 39.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 50.4990 -1.5540 40.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 48.3910 -0.8920 41.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 48.8070 -6.8720 39.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 51.0430 -7.4840 40.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 49.6940 -5.9670 41.7970 O 0 0 0 0 0 0 0 0 0 0 0 0 44.5010 -3.7070 34.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 44.5140 -1.7480 35.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 42.9650 -3.5890 36.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 48.5640 -3.9380 39.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 49.6330 -4.5060 39.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 47.3340 -4.1550 39.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 47.2890 -3.9280 37.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 49.6240 -4.4010 37.5410 C 0 0 2 0 0 0 0 0 0 0 0 0 46.2240 -3.0710 37.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 2 0 0 0 0 1 11 2 0 0 0 0 1 12 1 0 0 0 0 2 6 1 0 0 0 0 2 13 2 0 0 0 0 2 14 2 0 0 0 0 2 15 1 0 0 0 0 3 9 1 0 0 0 0 3 16 2 0 0 0 0 3 17 2 0 0 0 0 3 18 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 9 24 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 22 24 1 0 0 0 0 23 8 1 1 0 0 0 M END $$$$ 583967 OpenBabel12061010053D 24 24 0 0 0 0 0 0 0 0999 V2000 52.7700 -2.8880 36.4790 S 0 0 0 0 0 0 0 0 0 0 0 0 53.3860 -3.2070 32.5420 S 0 0 0 0 0 0 0 0 0 0 0 0 47.0550 -7.8350 34.2630 S 0 0 0 0 0 0 0 0 0 0 0 0 50.7910 -6.9150 33.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 51.7240 -3.3820 35.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 53.3930 -4.3270 33.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 50.3670 -5.5170 37.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 52.0730 -6.2940 31.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 48.2020 -7.0770 34.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 53.9990 -2.6190 35.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 52.3260 -1.6050 37.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 53.1010 -3.8690 37.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 53.3120 -3.6870 31.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 54.6600 -2.4440 32.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 52.2220 -2.3030 32.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 45.9350 -6.8990 33.9260 O 0 0 0 0 0 0 0 0 0 0 0 0 47.3970 -8.6590 33.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 46.6190 -8.7360 35.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 51.8460 -4.7560 35.2370 C 0 0 2 0 0 0 0 0 0 0 0 0 52.0890 -4.8400 33.7260 C 0 0 2 0 0 0 0 0 0 0 0 0 50.5510 -5.4910 35.6020 C 0 0 1 0 0 0 0 0 0 0 0 0 50.6040 -6.9160 35.0630 C 0 0 1 0 0 0 0 0 0 0 0 0 52.0200 -6.2890 33.2350 C 0 0 1 0 0 0 0 0 0 0 0 0 49.3050 -7.6760 35.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 2 0 0 0 0 1 11 2 0 0 0 0 1 12 1 0 0 0 0 2 6 1 0 0 0 0 2 13 2 0 0 0 0 2 14 2 0 0 0 0 2 15 1 0 0 0 0 3 9 1 0 0 0 0 3 16 2 0 0 0 0 3 17 2 0 0 0 0 3 18 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 9 24 1 0 0 0 0 19 5 1 6 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 6 1 1 0 0 0 20 23 1 0 0 0 0 21 7 1 1 0 0 0 21 22 1 0 0 0 0 22 24 1 6 0 0 0 23 8 1 6 0 0 0 M END $$$$ 583976 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 46.3310 -5.5650 -31.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 48.0780 -3.4150 -34.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 48.8900 -6.1250 -33.6290 O 0 0 0 0 0 0 0 0 0 0 0 0 47.3930 -3.0280 -31.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 44.8600 -3.9010 -30.7050 O 0 0 0 0 0 0 0 0 0 0 0 0 48.5540 -8.3220 -31.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 47.2850 -4.3350 -33.4080 C 0 0 1 0 0 0 0 0 0 0 0 0 48.1520 -5.3660 -32.6810 C 0 0 1 0 0 0 0 0 0 0 0 0 46.5020 -3.5780 -32.3550 C 0 0 1 0 0 0 0 0 0 0 0 0 47.2580 -6.3070 -31.8220 C 0 0 1 0 0 0 0 0 0 0 0 0 45.5760 -4.5610 -31.6760 C 0 0 1 0 0 0 0 0 0 0 0 0 48.0640 -7.0940 -30.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 583989 OpenBabel12061010053D 12 11 0 0 0 0 0 0 0 0999 V2000 12.6190 75.0020 42.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7040 76.9330 42.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4320 75.7370 41.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1000 75.1350 40.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9820 74.8010 39.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3190 73.4780 39.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8900 73.4150 39.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7170 72.1600 38.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9160 70.9470 39.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6490 70.1290 39.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0030 68.9720 40.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3830 67.6790 40.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 M END $$$$ 584000 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 -8.2810 11.1520 -14.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3430 8.4680 -14.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1020 7.7370 -12.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9960 11.6750 -12.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1310 9.7340 -14.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2700 13.0150 -16.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8710 11.3290 -14.7180 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5450 10.7370 -14.6940 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.5430 9.4020 -13.9540 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.1040 8.8590 -13.8210 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.6160 11.6520 -13.9400 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.1420 9.9250 -13.2630 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6770 9.5200 -13.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0570 12.5260 -15.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3000 13.3050 -14.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 8 7 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 4 1 1 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 584033 OpenBabel12061010053D 29 31 0 0 0 0 0 0 0 0999 V2000 -5.8270 -3.0100 18.9550 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.3710 -0.1190 20.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3330 0.2860 17.9370 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1030 -2.0990 18.6980 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8640 0.5050 16.9640 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9410 -4.1230 17.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7380 -3.3280 20.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0670 -1.8930 16.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 -2.0490 17.7730 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6730 1.7230 21.1340 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.6260 2.9440 22.7640 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7670 3.1640 20.6210 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7550 5.1570 21.9860 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5990 -2.0680 18.5820 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.3780 5.6380 23.5630 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0580 0.2260 18.4470 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5310 0.6350 20.1670 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.8830 2.8390 21.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4510 1.0830 18.7020 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.4890 3.5850 22.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7370 -0.4490 19.2040 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.9940 0.7830 18.3560 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.6870 1.8450 22.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8850 4.8080 22.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3180 -0.8970 19.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2840 4.3360 21.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4090 -1.5540 17.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2980 -0.5190 17.2180 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0050 -1.2070 16.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 14 1 0 0 0 0 2 17 1 0 0 0 0 2 21 1 0 0 0 0 4 25 1 0 0 0 0 8 27 2 0 0 0 0 9 29 1 0 0 0 0 10 18 1 0 0 0 0 10 23 1 0 0 0 0 11 20 1 0 0 0 0 11 23 2 0 0 0 0 12 18 2 0 0 0 0 12 26 1 0 0 0 0 13 24 1 0 0 0 0 13 26 2 0 0 0 0 14 27 1 0 0 0 0 15 24 1 0 0 0 0 17 10 1 6 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 3 1 1 0 0 0 19 22 1 0 0 0 0 20 24 2 0 0 0 0 21 22 1 0 0 0 0 21 25 1 1 0 0 0 22 5 1 6 0 0 0 28 27 1 1 0 0 0 28 16 1 0 0 0 0 28 29 1 0 0 0 0 M END $$$$ 584051 OpenBabel12061010053D 11 10 0 0 0 0 0 0 0 0999 V2000 60.7070 62.1470 29.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 59.2750 64.5980 28.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 60.8230 59.5040 30.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 57.2170 65.9870 27.6770 O 0 0 0 0 0 0 0 0 0 0 0 0 61.3670 63.4310 29.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 60.3590 64.4640 29.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 61.7070 61.1920 28.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 61.0660 59.8070 28.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 59.5670 65.4840 27.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 58.3300 65.7850 26.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 60.7660 58.0760 30.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 M END $$$$ 584055 OpenBabel12061010053D 11 10 0 0 0 0 0 0 0 0999 V2000 60.8170 62.0890 28.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 59.2580 64.5450 28.8080 O 0 0 0 0 0 0 0 0 0 0 0 0 61.0150 59.4810 30.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 57.1780 65.8730 27.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 61.3870 63.4230 29.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 60.3610 64.3610 29.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 61.8190 61.1330 28.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 61.1510 59.7590 28.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 59.5200 65.5220 27.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 58.3860 65.6000 26.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 60.8400 58.0570 30.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 M END $$$$ 584105 OpenBabel12061010053D 21 22 0 0 0 0 0 0 0 0999 V2000 19.7150 4.4530 -0.4020 S 0 0 0 0 0 0 0 0 0 0 0 0 21.4900 5.6450 4.6240 F 0 0 0 0 0 0 0 0 0 0 0 0 19.6730 5.4350 5.6470 F 0 0 0 0 0 0 0 0 0 0 0 0 20.4790 3.7460 4.6780 F 0 0 0 0 0 0 0 0 0 0 0 0 16.9360 7.6350 2.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6210 4.6450 -1.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9240 4.8530 2.2500 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2990 6.1180 1.1250 N 0 0 0 0 0 0 0 0 0 0 0 0 23.4750 3.8050 0.7600 N 0 0 0 0 0 0 0 0 0 0 0 0 19.5860 5.4210 3.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3120 5.0570 4.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2910 5.1970 1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5760 6.3830 3.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9330 6.7100 2.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4160 3.9900 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0650 3.3360 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0240 3.8540 2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5490 4.7960 0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1500 3.3940 3.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7870 4.3770 1.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4890 4.0960 2.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 2 11 1 0 0 0 0 3 11 1 0 0 0 0 4 11 1 0 0 0 0 5 14 2 0 0 0 0 6 15 2 0 0 0 0 7 10 1 0 0 0 0 7 12 2 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 21 1 0 0 0 0 M END $$$$ 584120 OpenBabel12061010053D 21 23 0 0 0 0 0 0 0 0999 V2000 20.5690 26.4510 19.2310 S 0 0 0 0 0 0 0 0 0 0 0 0 20.2490 31.9860 19.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2810 27.4270 18.5820 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0940 34.3540 20.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3150 26.3360 20.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0560 27.0450 19.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7390 25.0690 18.3130 N 0 0 0 0 0 0 0 0 0 0 0 0 22.6940 31.1240 20.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2110 32.5060 20.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2980 30.9990 19.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3340 33.5890 20.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8610 33.4090 20.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7450 28.6180 19.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8230 29.7460 19.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5690 29.9610 19.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0690 28.7150 19.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7000 32.6450 21.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7570 35.0200 21.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8470 32.7150 22.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7840 35.0690 22.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9120 33.7630 23.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 3 13 1 0 0 0 0 4 12 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 15 1 0 0 0 0 9 11 2 0 0 0 0 9 17 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 15 16 2 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 20 21 1 0 0 0 0 M END $$$$ 584154 OpenBabel12061010053D 22 23 0 0 0 0 0 0 0 0999 V2000 -78.1860 89.0390 97.4590 P 0 0 0 0 0 0 0 0 0 0 0 0 -79.4210 86.6520 98.1960 P 0 0 0 0 0 0 0 0 0 0 0 0 -78.6250 87.9580 98.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 -77.7720 88.1880 96.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 -79.4290 89.9160 97.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 -76.8580 89.6210 97.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 -78.2870 85.7690 97.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 -80.3360 87.0670 97.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 -80.1560 86.2930 99.4810 O 0 0 0 0 0 0 0 0 0 0 0 0 -80.5140 86.2320 90.7970 O 0 0 0 0 0 0 0 0 0 0 0 0 -78.9800 86.7990 93.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -76.8150 85.1770 93.6200 N 0 0 0 0 0 0 0 0 0 0 0 0 -77.3050 83.8390 91.7450 N 0 0 0 0 0 0 0 0 0 0 0 0 -79.1430 84.4030 90.3330 N 0 0 0 0 0 0 0 0 0 0 0 0 -77.7850 82.5590 89.8730 N 0 0 0 0 0 0 0 0 0 0 0 0 -78.6860 85.7470 92.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -77.5910 84.9100 92.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -78.1890 87.0370 94.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -79.4770 85.4750 91.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -78.5230 88.2320 94.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -77.0970 86.2180 94.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -78.0690 83.6110 90.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 4 20 1 0 0 0 0 10 19 2 0 0 0 0 11 16 1 0 0 0 0 11 18 2 0 0 0 0 12 17 1 0 0 0 0 12 21 2 0 0 0 0 13 17 1 0 0 0 0 13 22 2 0 0 0 0 14 19 1 0 0 0 0 14 22 1 0 0 0 0 15 22 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 M END $$$$ 584177 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 -58.5970 352.9340 43.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 -58.1180 352.8460 47.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 -59.5600 355.0950 46.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 -58.4230 354.9440 41.9440 O 0 0 0 0 0 0 0 0 0 0 0 0 -57.2120 349.5330 47.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 -58.8000 350.3540 46.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -58.5000 350.5970 43.1390 N 0 0 0 0 0 0 0 0 0 0 0 0 -58.3750 351.5970 45.3810 C 0 0 2 0 0 0 0 0 0 0 0 0 -58.8720 352.7790 46.2260 C 0 0 2 0 0 0 0 0 0 0 0 0 -58.7700 354.1300 45.4880 C 0 0 1 0 0 0 0 0 0 0 0 0 -58.9520 351.6910 43.9720 C 0 0 1 0 0 0 0 0 0 0 0 0 -59.2550 354.0260 44.0390 C 0 0 1 0 0 0 0 0 0 0 0 0 -58.9670 355.2730 43.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -57.9080 349.4340 46.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -57.7690 348.2170 45.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 584196 OpenBabel12061010053D 7 6 0 0 0 0 0 0 0 0999 V2000 24.9260 25.5250 149.9040 Cl 0 0 0 0 0 0 0 0 0 0 0 0 20.3220 24.6460 150.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9030 23.1480 149.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7430 24.4540 151.7960 N 0 0 0 0 0 0 0 0 0 0 0 0 22.6290 24.1490 150.3630 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1560 23.9640 149.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1980 25.3010 149.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 6 2 0 0 0 0 3 6 1 0 0 0 0 5 4 1 1 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 M END $$$$ 584235 OpenBabel12061010053D 13 13 0 0 0 0 0 0 0 0999 V2000 5.7030 14.0930 38.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1720 14.9790 41.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7590 14.4180 39.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0770 14.3220 44.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 13.1820 41.6690 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 14.7370 42.6570 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 14.2820 43.7430 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0060 14.7290 40.0480 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8700 14.3900 41.2840 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5580 14.1590 40.2440 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0370 14.4910 42.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8920 14.9580 41.4330 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4760 14.5860 41.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 4 7 1 0 0 0 0 5 13 1 0 0 0 0 6 11 2 0 0 0 0 6 12 1 0 0 0 0 7 11 1 0 0 0 0 8 1 1 1 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 2 1 1 0 0 0 9 11 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 12 13 1 1 0 0 0 M END $$$$ 584240 OpenBabel12061010053D 12 11 0 0 0 0 0 0 0 0999 V2000 71.0720 -8.8480 83.9070 S 0 0 0 0 0 0 0 0 0 0 0 0 69.8740 -8.7200 84.8010 O 0 0 0 0 0 0 0 0 0 0 0 0 72.3730 -8.7950 84.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 71.0530 -7.9210 82.7280 O 0 0 0 0 0 0 0 0 0 0 0 0 69.0220 -12.5920 81.1070 N 0 3 0 0 0 0 0 0 0 0 0 0 71.0000 -10.5450 83.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 69.0630 -11.2650 81.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 70.4580 -10.6420 81.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 69.1990 -12.4460 79.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 70.0650 -13.4680 81.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 67.6970 -13.1730 81.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 69.1110 -13.7790 78.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 7 8 1 0 0 0 0 9 12 1 0 0 0 0 M CHG 1 5 1 M END $$$$ 584269 OpenBabel12061010053D 31 32 0 0 0 0 0 0 0 0999 V2000 14.2370 8.2230 37.8670 S 0 0 0 0 0 0 0 0 0 0 0 0 17.4960 3.7440 32.4600 S 0 0 0 0 0 0 0 0 0 0 0 0 18.5970 8.2880 36.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3650 10.3870 36.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0560 8.5460 32.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4300 9.2100 38.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7470 5.6750 35.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7560 8.1190 31.8810 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8220 8.3420 39.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0360 8.9670 38.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2080 7.6470 36.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3140 7.0260 39.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7560 3.3420 33.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4020 2.9920 31.9550 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8500 3.4900 31.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2250 9.5670 33.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2210 12.9300 35.7920 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4510 13.1590 37.6600 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1130 5.3430 32.4210 N 0 0 0 0 0 0 0 0 0 0 0 0 18.8050 7.8000 34.8070 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2630 8.9090 36.4020 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7610 6.7800 34.3130 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7320 8.5830 37.8510 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0960 6.3150 32.8800 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8260 8.9980 33.7510 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0870 7.5390 31.9290 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7150 9.2270 38.9180 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0620 11.1160 37.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2590 10.6140 38.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8880 10.0590 34.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 12.4440 36.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 2 0 0 0 0 1 11 2 0 0 0 0 1 12 1 0 0 0 0 2 13 2 0 0 0 0 2 14 2 0 0 0 0 2 15 1 0 0 0 0 2 19 1 0 0 0 0 4 21 1 0 0 0 0 4 28 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 16 30 1 0 0 0 0 17 31 2 0 0 0 0 18 31 1 0 0 0 0 20 3 1 1 0 0 0 20 22 1 0 0 0 0 20 25 1 0 0 0 0 21 3 1 1 0 0 0 21 23 1 0 0 0 0 22 7 1 1 0 0 0 22 24 1 0 0 0 0 23 6 1 6 0 0 0 23 27 1 0 0 0 0 24 19 1 1 0 0 0 24 26 1 0 0 0 0 25 30 1 6 0 0 0 26 8 1 1 0 0 0 27 9 1 6 0 0 0 27 29 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 M END $$$$ 584277 OpenBabel12061010053D 12 11 0 0 0 0 0 0 0 0999 V2000 46.4150 26.5310 1.6740 P 0 0 0 0 0 0 0 0 0 0 0 0 45.5620 26.0840 4.4910 P 0 0 0 0 0 0 0 0 0 0 0 0 46.9220 29.3330 1.7230 P 0 0 0 0 0 0 0 0 0 0 0 0 45.3970 26.0590 2.8620 O 0 0 0 0 0 0 0 0 0 0 0 0 47.2890 27.8050 2.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 47.2560 25.3510 1.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 45.6160 27.0130 0.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 45.1640 27.4400 4.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 46.9880 25.7990 4.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 44.5870 25.0380 5.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 45.6940 29.4160 0.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 48.1190 30.0020 1.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 2 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 5 1 0 0 0 0 3 11 2 0 0 0 0 3 12 1 0 0 0 0 M END $$$$ 584293 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 19.1060 -4.2560 133.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6590 -4.6650 134.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7400 -6.2940 135.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7540 -2.4700 132.8730 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2430 -4.9840 136.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6490 -1.2530 134.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3470 -4.0060 134.6660 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8090 -3.5610 134.8020 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0910 -5.1730 135.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0930 -2.3650 133.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 3 9 2 0 0 0 0 4 10 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 1 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 2 1 6 0 0 0 8 10 1 0 0 0 0 M END $$$$ 584325 OpenBabel12061010053D 28 30 0 0 0 0 0 0 0 0999 V2000 24.5830 -5.1620 10.3400 P 0 0 0 0 0 0 0 0 0 0 0 0 23.9550 -4.2520 7.6490 P 0 0 0 0 0 0 0 0 0 0 0 0 27.9300 -3.4830 12.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7500 -4.6100 11.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6810 -4.1840 9.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9790 -5.8270 15.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 28.9570 -6.3960 13.5590 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3850 0.7960 16.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8630 -6.5530 9.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2670 -4.9620 11.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5590 -2.8440 7.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9950 -4.8270 6.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7470 -5.1970 7.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5040 -2.6340 14.5710 N 0 0 0 0 0 0 0 0 0 0 0 0 24.6560 -1.3990 14.6000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.7350 -1.6280 16.4430 N 0 0 0 0 0 0 0 0 0 0 0 0 26.4780 0.1650 17.4570 N 0 0 0 0 0 0 0 0 0 0 0 0 28.6000 -0.4580 18.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 27.5420 -3.7300 14.1370 C 0 0 1 0 0 0 0 0 0 0 0 0 26.6620 -1.7330 15.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9200 -5.1520 14.2010 C 0 0 1 0 0 0 0 0 0 0 0 0 25.5140 -0.9810 15.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0240 -4.7570 12.0930 C 0 0 1 0 0 0 0 0 0 0 0 0 27.6560 -5.8850 13.0930 C 0 0 1 0 0 0 0 0 0 0 0 0 25.2840 -2.4040 13.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3670 0.0450 16.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1290 -4.6650 10.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6000 -0.6530 17.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 9 2 0 0 0 0 1 10 1 0 0 0 0 2 5 1 0 0 0 0 2 11 2 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 19 1 0 0 0 0 3 23 1 0 0 0 0 4 27 1 0 0 0 0 8 26 2 0 0 0 0 14 20 1 0 0 0 0 14 25 1 0 0 0 0 15 22 1 0 0 0 0 15 25 2 0 0 0 0 16 20 1 0 0 0 0 16 28 2 0 0 0 0 17 26 1 0 0 0 0 17 28 1 0 0 0 0 18 28 1 0 0 0 0 19 14 1 6 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 21 6 1 1 0 0 0 21 24 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 1 0 0 0 24 7 1 1 0 0 0 M END $$$$ 584342 OpenBabel12061010053D 7 6 0 0 0 0 0 0 0 0999 V2000 9.5690 38.5690 -6.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4040 40.1430 -7.9770 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8450 39.3790 -7.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3150 39.4480 -6.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9880 39.5230 -5.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4820 39.7500 -5.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0850 39.4320 -3.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 M END $$$$ 584344 OpenBabel12061010053D 7 6 0 0 0 0 0 0 0 0999 V2000 9.6310 40.5340 -7.9870 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5060 38.7790 -6.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3900 39.6310 -7.5670 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9250 39.6460 -7.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6850 38.9290 -6.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0470 38.9050 -8.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5700 39.8790 -5.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 4 1 0 0 0 0 3 4 1 1 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 M END $$$$ 584357 OpenBabel12061010053D 9 9 0 0 0 0 0 0 0 0999 V2000 4.0480 55.5460 16.8060 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0900 55.1180 19.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2530 54.9770 17.9050 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1640 54.1040 20.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8550 56.3380 19.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9490 54.2260 21.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6390 56.4700 20.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6900 55.4300 21.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9240 53.5200 17.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 2 1 6 0 0 0 3 1 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 5 7 2 0 0 0 0 6 8 2 0 0 0 0 7 8 1 0 0 0 0 M END $$$$ 584484 OpenBabel12061010053D 19 21 0 0 0 0 0 0 0 0999 V2000 31.9890 31.1630 60.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 30.5870 28.8920 58.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 33.1820 29.2680 58.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 34.6850 31.6720 61.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 29.5650 30.8150 61.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 27.6480 32.0670 61.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 29.0690 29.2600 62.8380 N 0 0 0 0 0 0 0 0 0 0 0 0 26.9230 29.6280 63.8280 N 0 0 0 0 0 0 0 0 0 0 0 0 25.4510 31.2840 63.1440 N 0 0 0 0 0 0 0 0 0 0 0 0 30.8950 30.3510 60.5690 C 0 0 1 0 0 0 0 0 0 0 0 0 28.7670 30.3020 62.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0470 30.1600 59.0530 C 0 0 1 0 0 0 0 0 0 0 0 0 27.5960 31.0760 62.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5560 30.3950 58.8720 C 0 0 1 0 0 0 0 0 0 0 0 0 33.1400 30.6100 60.2890 C 0 0 1 0 0 0 0 0 0 0 0 0 28.8180 31.8810 60.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6150 30.6790 63.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2890 31.6200 60.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1010 28.9750 63.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 4 18 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 6 13 1 0 0 0 0 6 16 2 0 0 0 0 7 11 2 0 0 0 0 7 19 1 0 0 0 0 8 17 1 0 0 0 0 8 19 2 0 0 0 0 9 17 1 0 0 0 0 10 5 1 6 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 2 1 1 0 0 0 12 14 1 0 0 0 0 13 17 2 0 0 0 0 14 3 1 1 0 0 0 14 15 1 0 0 0 0 15 18 1 6 0 0 0 M END $$$$ 584491 OpenBabel12061010053D 21 22 0 0 0 0 0 0 0 0999 V2000 12.1330 -34.1930 17.0990 P 0 0 0 0 0 0 0 0 0 0 0 0 10.9820 -38.2510 16.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1700 -35.7730 17.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1890 -40.2200 17.4710 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7490 -37.7290 16.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0500 -41.8180 15.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1140 -33.9070 16.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8050 -33.2150 18.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5970 -33.9930 16.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1540 -43.2470 18.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4650 -40.4840 17.2500 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6160 -42.5140 16.9720 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4530 -39.5180 16.7460 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2510 -39.2610 17.6500 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1560 -37.1690 16.9400 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8350 -37.8040 17.3710 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6780 -41.6390 16.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0240 -36.4720 17.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1870 -40.2870 18.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3660 -42.3700 18.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0860 -41.1590 18.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 3 18 1 0 0 0 0 6 17 2 0 0 0 0 10 20 2 0 0 0 0 11 17 1 0 0 0 0 11 19 1 0 0 0 0 12 17 1 0 0 0 0 12 20 1 0 0 0 0 13 11 1 1 0 0 0 13 14 1 0 0 0 0 14 4 1 6 0 0 0 14 16 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 1 0 0 0 16 5 1 6 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 M END $$$$ 584494 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 33.9330 0.8920 4.6180 P 0 0 0 0 0 0 0 0 0 0 0 0 32.6670 -0.9100 2.8150 P 0 0 0 0 0 0 0 0 0 0 0 0 32.9140 -1.1970 9.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 33.3120 0.8140 6.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 33.7080 -0.5650 3.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 33.8660 1.1840 11.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 32.5420 1.9830 9.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 35.4100 1.1510 4.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 33.2160 1.9830 3.8670 O 0 0 0 0 0 0 0 0 0 0 0 0 32.7440 0.0720 1.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 33.0500 -2.2820 2.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 31.1350 -0.9730 3.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 33.9150 -2.0230 11.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 35.4860 -3.4430 11.6570 N 0 0 0 0 0 0 0 0 0 0 0 0 32.1740 -2.8150 12.6450 N 0 0 0 0 0 0 0 0 0 0 0 0 32.8830 -4.6220 13.9940 N 0 0 0 0 0 0 0 0 0 0 0 0 35.1100 -5.3490 13.9180 N 0 0 0 0 0 0 0 0 0 0 0 0 33.2150 -0.9190 10.4040 C 0 0 1 0 0 0 0 0 0 0 0 0 33.4010 -2.7820 12.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0330 0.3310 10.4320 C 0 0 1 0 0 0 0 0 0 0 0 0 32.9440 -0.0480 8.2790 C 0 0 1 0 0 0 0 0 0 0 0 0 33.5440 0.9860 9.1920 C 0 0 1 0 0 0 0 0 0 0 0 0 34.3760 -3.6710 12.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2080 -2.4110 10.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7900 -0.1010 7.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1240 -4.6020 13.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9290 -3.7300 13.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 1 0 0 0 0 15 27 2 0 0 0 0 16 26 2 0 0 0 0 16 27 1 0 0 0 0 17 26 1 0 0 0 0 18 13 1 6 0 0 0 18 20 1 0 0 0 0 19 23 2 0 0 0 0 20 6 1 1 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 1 0 0 0 22 7 1 1 0 0 0 23 26 1 0 0 0 0 M END $$$$ 584504 OpenBabel12061010053D 6 5 0 0 0 0 0 0 0 0999 V2000 44.7450 107.2900 18.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 44.6890 107.9690 15.8520 O 0 0 0 0 0 0 0 0 0 0 0 0 47.4250 110.3620 18.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 45.6530 108.2940 18.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 45.8440 108.1010 16.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 46.3820 109.2190 18.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 5 2 3 0 0 0 4 6 1 0 0 0 0 M END $$$$ 584513 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 -2.4480 18.0990 6.6910 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.4440 20.7500 7.1320 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 16.3610 3.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8580 17.5520 5.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 19.6650 6.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 13.1160 3.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 13.5530 4.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 17.7250 7.8620 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8580 17.5420 6.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6730 21.5610 5.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5650 21.5100 8.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7560 20.3430 7.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 16.3500 3.7620 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 17.8750 4.7890 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0030 14.6310 3.2590 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2310 15.3170 4.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6790 17.3500 5.0890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 15.5930 3.2100 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5720 15.8430 3.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 14.3640 4.0730 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1940 15.8260 3.7960 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7820 14.5790 4.5320 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3650 16.8020 4.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 17.5520 4.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8180 16.8470 4.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7850 16.5280 4.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3130 14.4650 3.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 1 0 0 0 0 15 27 2 0 0 0 0 16 26 2 0 0 0 0 16 27 1 0 0 0 0 17 26 1 0 0 0 0 18 13 1 1 0 0 0 18 20 1 0 0 0 0 19 23 2 0 0 0 0 20 6 1 6 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 1 0 0 0 22 7 1 6 0 0 0 23 26 1 0 0 0 0 M END $$$$ 584546 OpenBabel12061010053D 13 12 0 0 0 0 0 0 0 0999 V2000 38.1660 8.9940 23.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 39.8660 6.2580 21.5410 O 0 0 0 0 0 0 0 0 0 0 0 0 39.4830 6.5740 23.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 35.8300 8.5290 19.7120 O 0 0 0 0 0 0 0 0 0 0 0 0 39.1520 11.4890 21.8610 O 0 0 0 0 0 0 0 0 0 0 0 0 37.8730 8.1040 19.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 38.0350 10.7510 20.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 38.6290 8.2810 22.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 39.3650 6.9780 22.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 37.3050 7.9140 21.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 39.5500 9.1900 21.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 37.0180 8.2040 19.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 38.8810 10.5450 21.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 9 2 0 0 0 0 3 9 1 0 0 0 0 4 12 2 0 0 0 0 5 13 2 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 M END $$$$ 584579 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 69.8240 49.4000 34.6570 O 0 0 0 0 0 0 0 0 0 0 0 0 66.9210 51.6800 36.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 69.6990 52.3540 36.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 72.6760 50.1240 35.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 65.3420 48.5690 34.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 66.4220 50.5370 33.7930 N 0 0 0 0 0 0 0 0 0 0 0 0 68.2660 48.4390 33.1510 N 0 0 0 0 0 0 0 0 0 0 0 0 67.5450 50.1760 34.6410 C 0 0 2 0 0 0 0 0 0 0 0 0 67.9540 51.3820 35.4910 C 0 0 2 0 0 0 0 0 0 0 0 0 69.2540 51.1330 36.2510 C 0 0 1 0 0 0 0 0 0 0 0 0 68.7180 49.6480 33.8050 C 0 0 1 0 0 0 0 0 0 0 0 0 70.3230 50.5490 35.3250 C 0 0 1 0 0 0 0 0 0 0 0 0 71.5860 50.1690 36.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 65.3860 49.7260 33.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 64.2420 50.2930 32.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 584602 OpenBabel12061010053D 24 25 0 0 0 0 0 0 0 0999 V2000 70.8580 8.4400 28.1950 S 0 0 0 0 0 0 0 0 0 0 0 0 72.3740 12.2320 30.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 74.0570 12.1350 26.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 74.9660 11.5970 28.1490 O 0 0 0 0 0 0 0 0 0 0 0 0 71.3700 8.4860 32.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 67.4250 4.2690 32.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 66.9950 2.7400 30.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 72.9150 10.2840 28.9920 N 0 0 0 0 0 0 0 0 0 0 0 0 70.3450 9.7410 31.4080 N 0 0 0 0 0 0 0 0 0 0 0 0 69.9140 3.9930 30.3110 N 0 0 0 0 0 0 0 0 0 0 0 0 72.0870 9.0860 29.3790 C 0 0 1 0 0 0 0 0 0 0 0 0 71.5290 9.9070 30.5550 C 0 0 1 0 0 0 0 0 0 0 0 0 72.2910 11.0530 30.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72.8110 10.8830 27.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 71.6970 10.7810 26.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 73.9240 11.5530 27.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 70.4620 10.0270 27.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 70.4020 8.7110 32.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 71.6020 11.4180 25.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 69.2210 7.7620 32.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 69.6060 6.4660 31.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 68.5990 6.0650 30.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 68.5770 4.5520 30.1800 C 0 0 2 0 0 0 0 0 0 0 0 0 67.6280 3.8480 31.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 13 2 0 0 0 0 3 16 2 0 0 0 0 4 16 1 0 0 0 0 5 18 2 0 0 0 0 6 24 2 0 0 0 0 7 24 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 18 1 0 0 0 0 11 8 1 6 0 0 0 11 1 1 0 0 0 0 11 12 1 0 0 0 0 12 9 1 6 0 0 0 12 13 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 23 22 1 1 0 0 0 23 10 1 0 0 0 0 23 24 1 0 0 0 0 M END $$$$ 584621 OpenBabel12061010053D 11 10 0 0 0 0 0 0 0 0999 V2000 -10.9250 62.6590 15.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5480 60.6730 14.4680 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.0270 62.8160 12.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8240 64.6770 13.7040 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3190 59.5960 11.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6890 62.0340 14.7960 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.9530 60.7870 14.1470 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.0970 61.6870 15.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1870 62.6610 14.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9980 63.4250 13.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9350 60.8510 12.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 10 2 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 6 1 1 1 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 2 1 6 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 M END $$$$ 584633 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 -18.7470 82.7220 51.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.1110 86.5990 50.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.1210 86.0220 53.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.1720 82.0740 53.8810 O 0 0 0 0 0 0 0 0 0 0 0 0 -21.6280 83.5190 47.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.7600 84.7320 48.3590 N 0 0 0 0 0 0 0 0 0 0 0 0 -19.0560 82.0770 49.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 -19.6940 84.3130 49.7440 C 0 0 2 0 0 0 0 0 0 0 0 0 -19.2770 85.4700 50.6540 C 0 0 2 0 0 0 0 0 0 0 0 0 -19.4020 84.9700 52.1030 C 0 0 1 0 0 0 0 0 0 0 0 0 -18.7050 83.1580 49.9410 C 0 0 1 0 0 0 0 0 0 0 0 0 -18.4170 83.8000 52.2760 C 0 0 1 0 0 0 0 0 0 0 0 0 -18.3710 83.2390 53.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.8430 84.4490 47.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.0870 85.3290 46.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 584662 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 87.6510 47.9140 -8.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 86.8440 45.3840 -11.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 89.1320 44.8970 -10.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 90.2680 48.2570 -7.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 84.8860 48.7380 -12.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 84.8610 47.1690 -10.9200 N 0 0 0 0 0 0 0 0 0 0 0 0 85.5410 49.0750 -8.8430 N 0 0 0 0 0 0 0 0 0 0 0 0 86.2220 47.2800 -10.4040 C 0 0 2 0 0 0 0 0 0 0 0 0 86.9380 45.9310 -10.4460 C 0 0 2 0 0 0 0 0 0 0 0 0 88.4020 46.1150 -10.0220 C 0 0 1 0 0 0 0 0 0 0 0 0 86.2770 47.8190 -8.9680 C 0 0 1 0 0 0 0 0 0 0 0 0 88.4490 46.7220 -8.6040 C 0 0 1 0 0 0 0 0 0 0 0 0 89.9120 46.9180 -8.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 84.4630 47.6780 -12.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 83.4270 46.8820 -12.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 584667 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 3.2110 140.0590 -0.9250 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9030 139.1410 -2.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0630 139.1170 1.5260 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9410 138.9960 0.3750 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 136.5310 0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3570 137.5240 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2940 139.4360 -0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 135.9210 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0940 136.2400 2.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3550 134.9420 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0050 135.2530 2.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1440 134.6130 1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 7 1 0 0 0 0 4 3 1 6 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 11 12 1 0 0 0 0 M END $$$$ 584671 OpenBabel12061010053D 9 9 0 0 0 0 0 0 0 0999 V2000 31.7360 -16.5200 17.7770 N 0 0 0 0 0 0 0 0 0 0 0 0 30.0130 -16.8910 19.1770 N 0 0 0 0 0 0 0 0 0 0 0 0 31.6910 -18.7560 18.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1110 -17.3190 18.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7410 -19.1250 17.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2710 -19.6790 19.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2590 -20.4260 17.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8090 -20.9970 19.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8050 -21.3600 18.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 4 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 8 9 1 0 0 0 0 M END $$$$ 584680 OpenBabel12061010053D 23 24 0 0 0 0 0 0 0 0999 V2000 14.3190 33.9110 -2.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5860 34.1380 -3.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9910 30.7430 -0.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5790 32.4720 -4.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4630 36.3190 -0.7730 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5130 37.9170 -2.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0770 30.2780 -3.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9320 36.6830 -4.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8260 29.1760 -0.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3990 33.4660 1.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7580 32.6360 -5.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5010 32.5130 -1.9220 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0270 34.4520 -2.2630 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6940 32.0820 -2.7760 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0450 35.9780 -2.0680 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8470 32.1590 -0.4670 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6230 36.5070 -2.2660 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8590 30.5700 -2.7260 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1300 36.0680 -3.6340 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2340 34.5360 -3.7340 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8680 30.1200 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8260 32.6120 0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7650 34.0430 -5.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 2 13 1 0 0 0 0 2 20 1 0 0 0 0 3 16 1 0 0 0 0 3 21 1 0 0 0 0 9 21 2 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 1 1 1 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 1 1 6 0 0 0 13 15 1 0 0 0 0 14 4 1 6 0 0 0 14 18 1 0 0 0 0 15 5 1 1 0 0 0 15 17 1 0 0 0 0 16 22 1 6 0 0 0 17 6 1 6 0 0 0 17 19 1 0 0 0 0 18 7 1 1 0 0 0 18 21 1 0 0 0 0 19 8 1 1 0 0 0 19 20 1 0 0 0 0 20 23 1 6 0 0 0 M END $$$$ 584697 OpenBabel12061010053D 13 12 0 0 0 0 0 0 0 0999 V2000 52.0270 22.0330 51.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 51.6100 23.8220 49.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 53.1820 22.7240 48.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 51.2690 20.0960 49.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 55.1920 21.2500 53.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 52.7000 18.5170 49.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 54.2420 23.2110 53.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 53.0920 22.0030 50.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 52.5050 22.9880 49.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 53.4930 20.5450 50.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 54.3120 22.8110 51.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 52.3870 19.7020 49.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 54.6440 22.3050 52.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 9 2 0 0 0 0 3 9 1 0 0 0 0 4 12 2 0 0 0 0 5 13 2 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 M END $$$$ 584728 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 22.8640 -38.1520 71.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3330 -38.9000 73.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6560 -41.0730 72.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1420 -36.5760 71.8140 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5310 -37.4860 69.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2180 -40.4530 70.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4510 -38.8120 72.3970 C 0 0 1 0 0 0 0 0 0 0 0 0 24.2330 -39.7010 72.6420 C 0 0 1 0 0 0 0 0 0 0 0 0 25.0180 -37.3590 72.1900 C 0 0 2 0 0 0 0 0 0 0 0 0 23.2320 -39.5400 71.4940 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9510 -37.2650 71.0930 C 0 0 2 0 0 0 0 0 0 0 0 0 21.9510 -40.3190 71.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 6 0 0 0 M END $$$$ 584735 OpenBabel12061010053D 17 18 0 0 0 0 0 0 0 0999 V2000 5.5140 -11.2320 51.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 -14.8940 53.9730 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 -12.8000 57.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 -12.9320 53.7290 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1640 -13.3400 54.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4270 -14.4130 55.3830 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7030 -11.7930 52.3510 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9090 -12.3660 52.9980 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8480 -12.7790 53.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8460 -13.4980 54.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -13.7080 54.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3680 -11.9280 52.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5290 -12.5000 53.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 -13.7740 54.7760 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9070 -14.5520 55.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 -13.9040 56.2890 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3580 -13.9750 56.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 4 9 1 0 0 0 0 4 11 2 0 0 0 0 5 10 1 0 0 0 0 5 13 2 0 0 0 0 6 10 1 0 0 0 0 6 15 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 11 15 1 0 0 0 0 14 11 1 1 0 0 0 14 2 1 0 0 0 0 14 16 1 0 0 0 0 16 3 1 6 0 0 0 16 17 1 0 0 0 0 M END $$$$ 584748 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 -4.1030 38.7000 -8.0880 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.4410 38.7510 -7.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8360 39.7120 -9.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8650 38.3390 -7.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8970 32.5690 -9.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9340 34.6600 -8.7980 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3930 37.1450 -9.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6730 35.9830 -8.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1830 33.5780 -7.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2020 34.8440 -9.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6970 32.3190 -8.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7850 33.5440 -10.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 M END $$$$ 584770 OpenBabel12061010053D 20 22 0 0 0 0 0 0 0 0999 V2000 14.3190 -10.7770 17.8790 F 0 0 0 0 0 0 0 0 0 0 0 0 17.7560 -7.7480 14.8310 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0050 -5.6970 16.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9160 -5.5970 20.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4080 -5.2060 13.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0270 -6.4600 18.6810 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0860 -5.4160 18.4080 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7740 -5.9770 15.1310 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7500 -6.6110 17.2730 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4340 -8.0500 16.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4180 -5.8030 17.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8780 -8.4650 15.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5650 -5.8960 16.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5420 -6.7430 15.4610 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1030 -5.8570 19.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5570 -8.8120 17.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3820 -9.6730 15.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1510 -10.0120 17.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5160 -5.9340 14.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5530 -10.4530 15.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 11 2 0 0 0 0 4 15 2 0 0 0 0 5 19 2 0 0 0 0 6 15 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 8 19 1 0 0 0 0 9 6 1 1 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 10 16 2 0 0 0 0 12 17 2 0 0 0 0 13 14 1 0 0 0 0 14 19 1 6 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 18 20 2 0 0 0 0 M END $$$$ 584786 OpenBabel12061010053D 26 28 0 0 0 0 0 0 0 0999 V2000 36.7500 24.7070 104.4450 O 0 0 0 0 0 0 0 0 0 0 0 0 37.0460 26.4750 103.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 45.2170 20.1700 98.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 46.2710 21.1560 98.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 45.3510 18.9270 97.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 47.6100 21.0590 97.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 44.0300 20.3570 99.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 43.8370 21.4640 100.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 46.8340 18.6340 97.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 47.6330 19.8920 96.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 46.0580 22.2660 99.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 44.8810 22.4150 100.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 42.5570 21.6170 100.8340 C 0 0 1 0 0 0 0 0 0 0 0 0 44.7910 17.6840 98.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 44.5550 19.0970 96.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 47.8820 22.3810 96.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 48.7710 20.8120 98.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 42.0970 22.9050 101.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 40.8970 23.4650 101.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 41.9000 20.3090 101.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 38.5910 24.7080 102.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 40.4800 24.7880 101.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 40.1360 22.7910 102.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 39.3560 25.3990 101.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0060 23.3980 103.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 37.3880 25.3370 103.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 1 26 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 2 0 0 0 0 4 6 1 0 0 0 0 4 11 2 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 10 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 8 12 2 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 13 8 1 6 0 0 0 13 18 1 0 0 0 0 13 20 1 0 0 0 0 18 19 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 M END $$$$ 584810 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 -12.2530 31.8490 46.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8450 32.6400 44.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8710 34.7080 45.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.4790 33.3060 46.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7230 28.9650 45.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7250 30.7950 46.9320 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.2370 29.9690 47.9430 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9560 31.3090 46.3720 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.7340 32.7150 45.8100 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.0670 33.3370 45.3630 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.0380 31.3150 47.4440 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.1090 33.2260 46.4880 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.4790 33.7010 46.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1260 29.7600 46.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6380 29.5830 46.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 584811 OpenBabel12061010053D 28 30 0 0 0 0 0 0 0 0999 V2000 13.4370 53.7020 65.4550 P 0 0 0 0 0 0 0 0 0 0 0 0 14.9750 53.2970 67.8160 P 0 0 0 0 0 0 0 0 0 0 0 0 11.5150 57.7270 64.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6420 55.0270 65.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2370 54.1670 66.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3590 56.4440 61.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7790 56.3610 63.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1350 60.5390 60.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3520 53.4070 64.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5270 52.5690 65.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3420 51.9710 67.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1550 54.0820 68.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8850 53.1500 68.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7810 58.3140 62.6650 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9510 58.2920 62.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1260 60.4180 61.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0200 61.4510 60.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8970 62.4000 60.3380 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4020 57.8520 63.2830 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0200 59.4550 61.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0120 56.4670 62.7380 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3690 59.4360 61.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7600 56.5260 65.1250 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1700 55.8750 63.8580 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9650 57.6520 62.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9390 60.4490 60.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6560 55.6290 65.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6750 61.4000 60.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 9 2 0 0 0 0 1 10 1 0 0 0 0 2 5 1 0 0 0 0 2 11 2 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 19 1 0 0 0 0 3 23 1 0 0 0 0 4 27 1 0 0 0 0 8 26 2 0 0 0 0 14 20 1 0 0 0 0 14 25 1 0 0 0 0 15 22 1 0 0 0 0 15 25 2 0 0 0 0 16 20 1 0 0 0 0 16 28 2 0 0 0 0 17 26 1 0 0 0 0 17 28 1 0 0 0 0 18 28 1 0 0 0 0 19 14 1 1 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 21 6 1 1 0 0 0 21 24 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 6 0 0 0 24 7 1 6 0 0 0 M END $$$$ 584840 OpenBabel12061010053D 14 14 0 0 0 0 0 0 0 0999 V2000 46.2750 50.9580 31.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 49.6470 49.0880 30.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 49.7080 50.4020 32.8890 O 0 0 0 0 0 0 0 0 0 0 0 0 46.8810 53.3190 32.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 47.7300 48.0640 27.4520 O 0 0 0 0 0 0 0 0 0 0 0 0 47.0410 48.0870 29.5910 N 0 0 0 0 0 0 0 0 0 0 0 0 48.5070 49.2850 31.1290 C 0 0 1 0 0 0 0 0 0 0 0 0 48.6750 50.5780 31.9200 C 0 0 1 0 0 0 0 0 0 0 0 0 47.2660 49.3550 30.2530 C 0 0 2 0 0 0 0 0 0 0 0 0 47.3980 50.9920 32.6440 C 0 0 1 0 0 0 0 0 0 0 0 0 46.0910 49.6800 31.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 47.5160 52.4180 33.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 47.8490 47.6810 28.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 48.9570 46.7000 28.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 2 0 0 0 0 6 13 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 6 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 13 14 1 0 0 0 0 M END $$$$ 584850 OpenBabel12061010053D 35 42 0 0 0 0 0 0 0 0999 V2000 56.1250 5.3890 2.8110 O 0 0 0 0 0 0 0 0 0 0 0 0 54.0050 7.1110 4.9390 O 0 0 0 0 0 0 0 0 0 0 0 0 59.2770 12.2150 3.4240 O 0 0 0 0 0 0 0 0 0 0 0 0 54.6780 7.3800 2.2820 N 0 0 0 0 0 0 0 0 0 0 0 0 57.5410 6.9930 4.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 57.4260 12.7410 2.2290 N 0 0 0 0 0 0 0 0 0 0 0 0 54.0870 4.4100 6.4850 N 0 0 0 0 0 0 0 0 0 0 0 0 55.7580 8.3090 2.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 56.9740 8.1520 3.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 55.3870 9.6420 1.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 57.9300 9.2910 3.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 54.7580 5.8750 2.7560 C 0 0 2 0 0 0 0 0 0 0 0 0 57.4870 10.6470 2.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 56.3310 10.7860 2.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.6810 8.0430 1.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 54.1290 9.4820 1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 58.9920 8.8330 4.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 58.7550 7.3640 4.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 57.0420 5.5220 3.9370 C 0 0 1 0 0 0 0 0 0 0 0 0 53.9660 5.7890 4.2180 C 0 0 1 0 0 0 0 0 0 0 0 0 58.2130 11.9420 2.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 54.7120 4.6950 5.0510 C 0 0 1 0 0 0 0 0 0 0 0 0 56.2540 5.1360 5.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.2060 12.2040 1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.3760 7.6440 0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 53.2790 10.3970 0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 54.1180 4.7900 1.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 60.2410 9.4250 4.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 59.7050 6.5670 5.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 51.5700 8.5620 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 52.0120 9.9930 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 61.1760 8.6640 5.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 60.9170 7.2230 5.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 52.7830 7.8350 4.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 54.8260 3.2990 7.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 34 1 0 0 0 0 3 21 2 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 5 9 1 0 0 0 0 5 18 1 0 0 0 0 6 21 1 0 0 0 0 6 24 2 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 14 2 0 0 0 0 10 16 1 0 0 0 0 11 13 2 0 0 0 0 11 17 1 0 0 0 0 12 20 1 0 0 0 0 12 27 1 6 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 18 2 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 19 5 1 1 0 0 0 19 1 1 0 0 0 0 19 23 1 0 0 0 0 20 2 1 1 0 0 0 20 22 1 0 0 0 0 22 7 1 1 0 0 0 22 23 1 0 0 0 0 25 30 2 0 0 0 0 26 31 2 0 0 0 0 28 32 2 0 0 0 0 29 33 2 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 M END $$$$ 584856 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 -12.4200 31.7360 46.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9840 32.5370 44.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3170 34.0040 44.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.7930 33.1660 46.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5970 28.6830 46.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8500 30.7460 46.8810 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.3070 29.9750 48.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.1470 31.2430 46.4510 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.0360 32.5680 45.6980 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.3760 32.8400 45.0130 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.1940 31.3640 47.5730 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.4340 32.9240 46.1270 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.8450 33.0970 45.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2150 29.8400 46.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0010 30.3090 45.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 584862 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 12.7230 -7.8100 35.7100 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1370 -5.8420 35.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4770 -4.9770 31.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3710 -7.1310 31.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9680 -5.8610 33.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4700 -6.9120 34.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1660 -5.8020 34.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3620 -6.9970 33.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6960 -4.6130 33.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8450 -5.9800 32.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8330 -4.5710 34.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0100 -8.9130 35.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 2 7 1 0 0 0 0 3 10 2 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 11 2 0 0 0 0 9 11 1 0 0 0 0 M END $$$$ 584877 OpenBabel12061010053D 16 17 0 0 0 0 0 0 0 0999 V2000 31.2600 -62.7560 -127.8840 S 0 0 0 0 0 0 0 0 0 0 0 0 28.1840 -65.1010 -125.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 34.4580 -62.7630 -121.7380 O 0 0 0 0 0 0 0 0 0 0 0 0 34.2850 -64.6620 -122.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 30.3430 -65.4450 -125.9890 N 0 0 0 0 0 0 0 0 0 0 0 0 28.7210 -64.9720 -127.5130 N 0 0 0 0 0 0 0 0 0 0 0 0 31.0480 -65.4410 -127.3600 C 0 0 1 0 0 0 0 0 0 0 0 0 29.9900 -65.1260 -128.3970 C 0 0 2 0 0 0 0 0 0 0 0 0 32.1690 -64.4020 -127.5040 C 0 0 2 0 0 0 0 0 0 0 0 0 28.9580 -65.1460 -126.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1730 -63.7500 -129.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0690 -64.3980 -126.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1870 -63.3770 -126.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1810 -62.4510 -125.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2230 -62.8890 -123.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6170 -63.4740 -122.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 10 2 0 0 0 0 3 16 2 0 0 0 0 4 16 1 0 0 0 0 5 10 1 0 0 0 0 6 10 1 0 0 0 0 7 5 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 6 1 1 0 0 0 8 11 1 0 0 0 0 9 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 M END $$$$ 584880 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 27.1970 -11.3830 20.7670 O 0 0 0 0 0 0 0 0 0 0 0 0 30.0540 -11.1820 20.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0750 -10.8640 17.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0270 -14.5100 20.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2940 -9.4960 18.9370 O 0 0 0 0 0 0 0 0 0 0 0 0 29.5240 -13.0240 22.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7800 -11.8210 19.5380 C 0 0 2 0 0 0 0 0 0 0 0 0 29.2210 -12.2890 19.7500 C 0 0 2 0 0 0 0 0 0 0 0 0 27.7290 -10.6920 18.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2520 -13.3470 20.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 3 9 2 0 0 0 0 4 10 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 1 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 2 1 1 0 0 0 8 10 1 0 0 0 0 M END $$$$ 584902 OpenBabel12061010053D 20 22 0 0 0 0 0 0 0 0999 V2000 7.5340 26.9890 28.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0410 28.3990 28.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4730 23.5720 30.8840 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2020 27.6980 25.8460 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0390 24.2540 28.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7300 26.4440 28.4240 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7440 26.3150 29.5070 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0010 24.1030 28.8020 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5340 22.7740 30.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5050 21.8190 29.2160 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8800 25.1310 28.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0780 25.0520 29.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5710 26.9580 27.7010 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8640 27.1980 28.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4670 23.8180 30.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0220 26.1730 26.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2440 26.7190 28.0660 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5260 26.5140 26.5630 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3140 22.9360 29.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4930 25.4820 28.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 14 2 0 0 0 0 3 15 2 0 0 0 0 5 20 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 8 11 1 0 0 0 0 8 19 2 0 0 0 0 9 15 1 0 0 0 0 9 19 1 0 0 0 0 10 19 1 0 0 0 0 11 12 2 0 0 0 0 12 15 1 0 0 0 0 13 6 1 1 0 0 0 13 16 1 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 6 0 0 0 18 4 1 1 0 0 0 M END $$$$ 584907 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 13.1110 -18.9360 47.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5780 -19.9720 43.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4470 -21.3090 44.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1890 -21.6700 47.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0480 -16.0300 42.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9370 -17.2910 43.9690 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0710 -16.8530 46.7590 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7840 -18.3390 44.9780 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8990 -19.4430 44.3830 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5430 -20.5470 45.3880 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1370 -17.8300 46.2560 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1400 -19.8950 46.7130 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9680 -20.9610 47.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0600 -16.8360 43.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3750 -17.2540 44.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 584910 OpenBabel12061010053D 13 13 0 0 0 0 0 0 0 0999 V2000 66.9390 93.0100 138.4770 S 0 0 0 0 0 0 0 0 0 0 0 0 65.9000 93.2000 137.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 68.0440 94.0260 138.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 66.4060 93.1540 139.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 64.8210 85.4310 137.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 66.0600 87.9420 137.6540 N 0 0 0 0 0 0 0 0 0 0 0 0 67.6530 91.3070 138.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 67.1600 88.9120 137.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 66.5670 90.2710 138.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 65.4900 87.5290 138.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 66.5410 86.7730 136.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 64.3230 86.5420 138.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 65.3410 85.8280 136.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 8 9 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 M END $$$$ 584922 OpenBabel12061010053D 15 14 0 0 0 0 0 0 0 0999 V2000 96.2470 -23.2310 48.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 96.3190 -25.8810 49.7420 O 0 0 0 0 0 0 0 0 0 0 0 0 93.0650 -24.6520 48.5730 O 0 0 0 0 0 0 0 0 0 0 0 0 95.4380 -21.0630 51.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 96.6360 -25.2450 53.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 93.0880 -27.1110 47.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 95.2570 -23.7180 52.4030 N 0 0 0 0 0 0 0 0 0 0 0 0 95.4150 -23.6530 49.9550 C 0 0 1 0 0 0 0 0 0 0 0 0 95.0960 -25.1430 49.8040 C 0 0 1 0 0 0 0 0 0 0 0 0 96.1380 -23.3790 51.2760 C 0 0 1 0 0 0 0 0 0 0 0 0 94.2730 -25.4160 48.5410 C 0 0 1 0 0 0 0 0 0 0 0 0 96.5790 -21.9160 51.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 95.5790 -24.6150 53.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 93.9210 -26.9020 48.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 94.5210 -24.8220 54.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 4 12 1 0 0 0 0 5 13 2 0 0 0 0 6 14 1 0 0 0 0 7 13 1 0 0 0 0 8 1 1 1 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 2 1 6 0 0 0 9 11 1 0 0 0 0 10 7 1 6 0 0 0 10 12 1 0 0 0 0 11 3 1 1 0 0 0 11 14 1 0 0 0 0 13 15 1 0 0 0 0 M END $$$$ 585267 OpenBabel12061010053D 6 5 0 0 0 0 0 0 0 0999 V2000 25.4230 14.5170 6.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0520 12.3590 8.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3370 16.0590 8.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0990 14.2840 6.6060 C 0 0 2 0 0 0 0 0 0 0 0 0 27.4360 13.2840 7.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3190 15.8920 7.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 6 1 0 0 0 0 4 1 1 1 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 M END $$$$ 585276 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 23.5650 49.8610 -25.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3150 50.2380 -29.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6690 49.8880 -28.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8820 47.0180 -26.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2710 52.6910 -27.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3110 50.7060 -27.5030 N 0 0 0 0 0 0 0 0 0 0 0 0 25.8610 49.5340 -25.1830 N 0 0 0 0 0 0 0 0 0 0 0 0 25.2360 49.7200 -27.5700 C 0 0 2 0 0 0 0 0 0 0 0 0 24.0240 50.2590 -28.3490 C 0 0 2 0 0 0 0 0 0 0 0 0 22.7800 49.4000 -28.0610 C 0 0 1 0 0 0 0 0 0 0 0 0 24.8150 49.2620 -26.1560 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4360 49.4090 -26.5580 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9970 48.0550 -26.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1840 51.9190 -28.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2260 52.3530 -29.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 585283 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 28.0690 -12.1820 16.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6630 -11.1640 18.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5830 -13.0480 19.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4580 -11.2790 15.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9270 -10.1870 15.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5680 -15.1900 17.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0410 -11.2250 18.1800 C 0 0 1 0 0 0 0 0 0 0 0 0 26.5730 -12.6560 18.2670 C 0 0 1 0 0 0 0 0 0 0 0 0 26.2810 -10.6420 16.7910 C 0 0 1 0 0 0 0 0 0 0 0 0 27.9960 -12.7650 17.6900 C 0 0 1 0 0 0 0 0 0 0 0 0 27.7430 -10.8030 16.3880 C 0 0 1 0 0 0 0 0 0 0 0 0 28.5520 -14.1960 17.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 585306 OpenBabel12061010053D 13 13 0 0 0 0 0 0 0 0999 V2000 68.1370 17.4470 -8.9930 O 0 0 0 0 0 0 0 0 0 0 0 0 69.1240 19.3060 -8.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 72.6330 14.7690 -5.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 72.7480 12.8480 -6.4470 N 0 0 0 0 0 0 0 0 0 0 0 0 73.8380 12.9200 -4.4610 N 0 0 0 0 0 0 0 0 0 0 0 0 70.0210 17.1420 -7.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 71.7970 15.5790 -5.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 71.0870 17.7520 -6.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 69.8480 15.7270 -7.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 71.9780 16.9850 -5.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 70.7210 14.9750 -6.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 69.1250 18.0200 -8.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 73.0580 13.5260 -5.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 12 1 0 0 0 0 3 7 1 0 0 0 0 3 13 1 0 0 0 0 4 13 2 0 0 0 0 5 13 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 M END $$$$ 585328 OpenBabel12061010053D 28 31 0 0 0 0 0 0 0 0999 V2000 30.4950 21.2810 4.4190 S 0 0 0 0 0 0 0 0 0 0 0 0 25.7910 12.5640 1.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 30.0240 21.7780 3.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 31.8980 20.9450 4.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9970 15.9250 3.5580 N 0 0 0 0 0 0 0 0 0 0 0 0 25.0270 13.7840 4.6320 N 0 0 2 0 0 0 0 0 0 0 0 0 29.6560 19.7910 4.6710 N 0 0 0 0 0 0 0 0 0 0 0 0 26.8650 15.1440 3.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8160 14.2510 2.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0130 14.5050 1.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7220 15.5570 2.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7400 15.1280 4.7010 C 0 0 2 0 0 0 0 0 0 0 0 0 25.7910 13.3030 2.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6360 13.2840 3.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5310 13.9580 0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9340 16.0250 1.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4960 16.9890 4.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3470 15.2080 6.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8980 13.7600 5.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7530 14.4320 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4540 15.4750 0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2670 15.1450 7.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4230 13.8620 7.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7700 18.3190 4.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7150 19.3530 3.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9790 22.3890 5.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9850 23.5380 5.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9020 21.6000 7.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 26 1 0 0 0 0 2 13 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 17 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 6 0 0 0 6 19 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 12 8 1 1 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 15 20 2 0 0 0 0 16 21 2 0 0 0 0 17 24 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 M END $$$$ 585332 OpenBabel12061010053D 26 28 0 0 0 0 0 0 0 0999 V2000 3.7590 -20.3990 4.8340 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 -19.7920 6.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 -17.0040 7.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 -17.9230 6.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -21.3950 5.0990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -23.2840 4.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -21.2280 5.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1150 -20.1060 6.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2670 -18.9960 4.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 -20.3640 8.3690 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -22.3040 9.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5090 -19.6150 9.8450 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9070 -21.1900 11.6370 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 -23.1560 11.9020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6940 -19.2540 7.4140 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5590 -20.4790 9.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 -18.3560 7.5810 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2200 -21.6770 10.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -18.8950 6.4970 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5090 -19.2630 5.3880 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9350 -21.4880 8.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9410 -22.0340 11.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -20.2840 4.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1230 -20.0620 10.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -22.0620 4.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6530 -21.1830 3.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 26 1 0 0 0 0 2 15 1 0 0 0 0 2 20 1 0 0 0 0 5 23 1 0 0 0 0 5 25 1 0 0 0 0 6 25 2 0 0 0 0 10 16 1 0 0 0 0 10 21 1 0 0 0 0 11 18 1 0 0 0 0 11 21 2 0 0 0 0 12 16 2 0 0 0 0 12 24 1 0 0 0 0 13 22 1 0 0 0 0 13 24 2 0 0 0 0 14 22 1 0 0 0 0 15 10 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 3 1 6 0 0 0 17 19 1 0 0 0 0 18 22 2 0 0 0 0 19 4 1 6 0 0 0 19 20 1 0 0 0 0 20 23 1 1 0 0 0 25 26 1 0 0 0 0 M END $$$$ 585338 OpenBabel12061010053D 14 13 0 0 0 0 0 0 0 0999 V2000 17.0610 62.3400 80.5960 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2480 65.5460 79.9280 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6280 59.3080 84.1770 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3350 65.6110 80.4680 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7290 64.3890 80.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7620 65.3550 80.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1900 63.3010 79.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3830 64.7640 80.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1940 61.2220 81.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9800 64.8100 80.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7830 60.0780 81.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7480 65.4820 79.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9250 59.5070 82.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4840 64.7380 80.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 3 13 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 M END $$$$ 585355 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 2.1570 -11.4270 6.1060 S 0 0 0 0 0 0 0 0 0 0 0 0 9.7340 -11.9610 9.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8540 -12.5460 7.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8360 -12.7460 6.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8150 -12.2040 8.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7220 -11.6820 7.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0010 -13.5220 7.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8150 -12.9840 5.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6300 -11.3990 8.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9180 -13.3120 7.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6030 -12.4580 5.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6740 -12.2340 6.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 5 1 0 0 0 0 3 12 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 8 11 2 3 0 0 0 11 12 1 0 0 0 0 M END $$$$ 585367 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 11.8470 84.0640 -0.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5780 86.5910 -0.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4730 86.9340 -2.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9750 84.3610 -1.8780 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5970 84.6140 -0.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3730 83.8550 0.8110 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8990 82.4680 1.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6260 84.4940 0.4550 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3880 85.5320 -0.6530 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7170 86.0970 -1.1670 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6330 83.4380 -0.0190 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6450 84.9440 -1.5700 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0170 85.4020 -2.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4050 83.7210 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3220 82.4010 -0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 585378 OpenBabel12061010053D 10 10 0 0 0 0 0 0 0 0999 V2000 2.7980 48.2730 123.9760 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4070 49.0340 126.1190 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 49.2710 122.8050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 52.2640 124.2830 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 50.1380 125.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 49.2170 123.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6110 48.1730 125.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 49.9990 126.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 51.0910 124.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 47.2220 125.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 2 7 2 0 0 0 0 2 8 1 0 0 0 0 3 6 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 7 10 1 0 0 0 0 M END $$$$ 585381 OpenBabel12061010053D 25 26 0 0 0 0 0 0 0 0999 V2000 -11.8830 103.9780 54.1660 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.8360 103.1680 55.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2890 103.9080 52.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0920 105.7910 54.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3330 105.9470 52.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9680 103.3860 56.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3900 103.1350 54.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5010 102.2520 55.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4540 102.1800 57.0970 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4120 101.0390 55.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.5810 105.6390 54.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4770 106.5530 54.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7600 106.0380 55.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2810 106.0810 53.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6230 102.9340 55.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6300 107.8480 55.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4640 101.8190 55.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8660 107.3370 55.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7980 108.2500 55.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3690 101.7610 57.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3270 100.6160 55.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2450 100.9540 57.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9220 105.3340 53.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3600 102.1370 59.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2580 99.8180 55.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 4 14 1 0 0 0 0 4 23 1 0 0 0 0 5 14 2 0 0 0 0 6 15 2 0 0 0 0 7 15 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 9 17 1 0 0 0 0 9 20 2 0 0 0 0 10 17 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 13 18 1 0 0 0 0 16 19 1 0 0 0 0 18 19 2 0 0 0 0 20 22 1 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 M END $$$$ 585382 OpenBabel12061010053D 12 11 0 0 0 0 0 0 0 0999 V2000 27.7150 115.2040 47.3130 P 0 0 0 0 0 0 0 0 0 0 0 0 29.9820 116.2460 45.7570 P 0 0 0 0 0 0 0 0 0 0 0 0 28.6350 115.4570 46.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2940 116.4750 47.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6140 114.3990 46.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4930 114.4820 48.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 29.6110 117.5920 45.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 30.5700 115.3940 44.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 30.6840 116.1630 47.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8150 117.7530 47.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5380 118.4210 46.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8530 119.6480 46.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 4 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 M END $$$$ 585384 OpenBabel12061010053D 11 10 0 0 0 0 0 0 0 0999 V2000 5.1780 98.2930 59.0280 P 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 96.7870 60.7350 P 0 0 0 0 0 0 0 0 0 0 0 0 4.3060 97.9660 60.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2430 98.3520 57.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8430 99.5190 59.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1910 97.2680 58.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 97.1720 60.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 96.6690 62.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9100 95.6340 59.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 99.2060 57.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 100.3570 57.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 4 10 1 0 0 0 0 10 11 1 0 0 0 0 M END $$$$ 585427 OpenBabel12061010053D 23 25 0 0 0 0 0 0 0 0999 V2000 76.0720 7.1960 19.1900 P 0 0 0 0 0 0 0 0 0 0 0 0 76.5660 2.2890 19.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 77.5950 1.3980 22.8780 O 0 0 0 0 0 0 0 0 0 0 0 0 75.5860 3.3620 22.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 76.2880 5.8740 20.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 75.6070 8.2040 20.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 77.3970 7.5130 18.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 75.0220 6.8830 18.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 78.4850 0.9170 19.7260 N 0 0 0 0 0 0 0 0 0 0 0 0 80.5300 0.9300 18.5610 N 0 0 0 0 0 0 0 0 0 0 0 0 77.9450 -1.4350 19.7120 N 0 0 0 0 0 0 0 0 0 0 0 0 79.6280 -2.7360 18.6000 N 0 0 0 0 0 0 0 0 0 0 0 0 81.6490 -1.7250 17.5990 N 0 0 0 0 0 0 0 0 0 0 0 0 77.3040 1.4210 20.4510 C 0 0 1 0 0 0 0 0 0 0 0 0 78.7240 -0.3670 19.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 77.7360 2.2530 21.7630 C 0 0 1 0 0 0 0 0 0 0 0 0 76.7690 3.5220 21.8180 C 0 0 1 0 0 0 0 0 0 0 0 0 76.1740 3.5420 20.2560 C 0 0 1 0 0 0 0 0 0 0 0 0 79.9870 -0.3560 18.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 79.5720 1.6390 19.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 80.4440 -1.6360 18.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 76.7380 4.6880 19.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 78.4540 -2.6080 19.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 14 1 0 0 0 0 2 18 1 0 0 0 0 5 22 1 0 0 0 0 9 15 1 0 0 0 0 9 20 1 0 0 0 0 10 19 1 0 0 0 0 10 20 2 0 0 0 0 11 15 2 0 0 0 0 11 23 1 0 0 0 0 12 21 1 0 0 0 0 12 23 2 0 0 0 0 13 21 1 0 0 0 0 14 9 1 6 0 0 0 14 16 1 0 0 0 0 15 19 1 0 0 0 0 16 3 1 1 0 0 0 16 17 1 0 0 0 0 17 4 1 6 0 0 0 17 18 1 0 0 0 0 18 22 1 6 0 0 0 19 21 2 0 0 0 0 M END $$$$ 585439 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 26.6390 45.2070 0.5500 S 0 0 0 0 0 0 0 0 0 0 0 0 27.8640 45.6960 1.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1620 46.0970 -0.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8090 43.8230 0.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5100 44.3280 6.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5580 44.2760 3.9170 N 0 0 0 0 0 0 0 0 0 0 0 0 25.3330 45.1750 1.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6980 44.2990 2.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6180 43.0550 4.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5890 45.5570 4.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4100 43.1260 5.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4240 45.5230 5.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 M END $$$$ 585464 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 23.5520 44.9670 7.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6560 41.3540 8.1490 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2020 41.6470 9.3570 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0910 43.7190 7.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2460 43.9860 6.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 43.8330 8.3400 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5790 46.1600 7.3740 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4570 43.7360 7.8490 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1520 42.5990 8.5950 C 0 0 2 0 0 0 0 0 0 0 0 0 23.6620 42.6110 8.4340 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1590 45.0680 8.1300 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1860 44.0200 8.7460 C 0 0 1 0 0 0 0 0 0 0 0 0 25.6690 44.2080 8.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0910 43.9670 7.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6970 44.0880 8.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 585493 OpenBabel12061010053D 21 21 0 0 0 0 0 0 0 0999 V2000 30.7260 5.3210 81.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3990 4.4010 79.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 32.8680 5.4330 77.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 32.7340 7.3200 82.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 29.5370 2.0750 81.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 31.3540 2.5580 82.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2020 8.3570 82.4240 O 0 0 0 0 0 0 0 0 0 0 0 0 34.6650 8.3540 79.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4400 8.2690 85.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 32.4190 7.9450 79.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 30.6000 4.1720 80.4540 C 0 0 1 0 0 0 0 0 0 0 0 0 31.1690 6.6580 80.8040 C 0 0 2 0 0 0 0 0 0 0 0 0 32.3050 6.6100 79.7540 C 0 0 1 0 0 0 0 0 0 0 0 0 31.9440 5.4870 78.7520 C 0 0 2 0 0 0 0 0 0 0 0 0 31.8410 4.1250 79.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4650 7.6310 81.9620 C 0 0 1 0 0 0 0 0 0 0 0 0 30.4960 2.8480 81.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2880 7.5460 82.9460 C 0 0 1 0 0 0 0 0 0 0 0 0 33.5470 8.6870 79.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6550 7.9430 84.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3540 10.0480 78.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 5 17 2 0 0 0 0 6 17 1 0 0 0 0 8 19 2 0 0 0 0 9 20 1 0 0 0 0 10 19 1 0 0 0 0 11 2 1 6 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 12 1 1 1 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 10 1 6 0 0 0 13 14 1 0 0 0 0 14 3 1 1 0 0 0 14 15 1 0 0 0 0 16 4 1 1 0 0 0 16 18 1 0 0 0 0 18 7 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 M END $$$$ 585618 OpenBabel12061010053D 14 14 0 0 0 0 0 0 0 0999 V2000 -18.4410 25.0200 81.4060 I 0 0 0 0 0 0 0 0 0 0 0 0 -18.7940 26.2840 78.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 -21.9200 18.6070 79.9550 O 0 0 0 0 0 0 0 0 0 0 0 0 -22.1590 18.4610 77.7800 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.3090 20.2520 77.3200 N 0 0 0 0 0 0 0 0 0 0 0 0 -21.1200 22.8290 78.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.5310 24.3950 79.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.5470 25.1490 78.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.2980 23.2470 79.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.8850 21.5100 78.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.9310 20.2920 78.6720 C 0 0 1 0 0 0 0 0 0 0 0 0 -21.1310 23.6110 77.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.3360 24.7810 77.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.7430 19.0030 78.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 3 14 2 0 0 0 0 4 14 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 13 1 0 0 0 0 11 10 1 6 0 0 0 11 5 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 M END $$$$ 585623 OpenBabel12061010053D 25 26 0 0 0 0 0 0 0 0999 V2000 11.5050 56.9730 47.6610 P 0 0 0 0 0 0 0 0 0 0 0 0 12.5360 59.3650 46.3060 P 0 0 0 0 0 0 0 0 0 0 0 0 12.9230 53.1590 48.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3170 55.6330 47.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1970 57.8080 46.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8680 50.6020 47.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1570 52.3610 46.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0740 56.7010 47.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8120 57.4510 49.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4020 50.8670 51.4650 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0170 59.3610 46.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9490 59.7360 44.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7770 60.2570 47.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8190 54.4350 54.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0970 52.8960 50.4020 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1020 52.7150 52.7860 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2080 52.2700 49.0490 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2340 53.2910 46.8980 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8680 51.9360 48.3400 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7770 52.9810 47.2020 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4440 54.7200 46.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2110 52.0880 51.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8780 54.2820 50.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8850 54.0900 53.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7630 54.9370 51.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 11 2 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 21 1 0 0 0 0 10 22 2 0 0 0 0 14 24 2 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 22 1 0 0 0 0 16 24 1 0 0 0 0 17 15 1 6 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 1 0 0 0 19 6 1 6 0 0 0 19 20 1 0 0 0 0 20 7 1 6 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 M END $$$$ 585626 OpenBabel12061010053D 25 26 0 0 0 0 0 0 0 0999 V2000 11.7440 57.5330 47.2030 P 0 0 0 0 0 0 0 0 0 0 0 0 11.6490 59.4320 44.9550 P 0 0 0 0 0 0 0 0 0 0 0 0 13.0320 54.0630 46.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1570 56.4070 46.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0710 58.5250 46.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7290 51.0280 46.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9440 52.6250 45.3280 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7180 56.9640 48.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0130 58.0290 47.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4770 51.3750 49.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0010 59.7800 45.4530 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6940 58.4370 43.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7220 60.5130 44.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4440 54.3680 52.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3620 53.3530 48.6010 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4110 52.9370 50.7080 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0080 52.9190 47.2140 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8470 54.1060 45.5050 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6160 52.2580 47.0360 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7930 53.3120 46.2560 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4300 55.5730 45.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1020 52.4900 49.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9610 54.6110 49.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0690 54.1730 51.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3090 55.0700 50.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 11 2 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 21 1 0 0 0 0 10 22 2 0 0 0 0 14 24 2 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 22 1 0 0 0 0 16 24 1 0 0 0 0 17 15 1 1 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 1 0 0 0 19 6 1 6 0 0 0 19 20 1 0 0 0 0 20 7 1 6 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 M END $$$$ 585627 OpenBabel12061010053D 18 18 0 0 0 0 0 0 0 0999 V2000 19.0340 63.2790 45.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2560 64.7070 45.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4090 62.6250 46.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5280 59.9860 45.9770 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9090 60.6310 44.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7240 63.2290 46.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2880 61.1180 46.3660 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7770 62.3600 45.6360 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7670 60.8960 46.0300 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6620 63.5620 45.9840 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5550 62.1540 46.3880 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0310 62.0470 46.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7600 65.9500 45.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3610 66.9210 44.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7360 68.4450 44.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3020 68.8000 44.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7910 70.1130 45.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2600 70.3110 45.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 13 1 0 0 0 0 6 12 1 0 0 0 0 7 4 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 5 1 6 0 0 0 9 11 1 0 0 0 0 10 2 1 6 0 0 0 11 12 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 M END $$$$ 585629 OpenBabel12061010053D 25 26 0 0 0 0 0 0 0 0999 V2000 11.6110 56.0250 45.7970 P 0 0 0 0 0 0 0 0 0 0 0 0 11.6090 58.1540 43.7650 P 0 0 0 0 0 0 0 0 0 0 0 0 11.9160 52.1850 46.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6820 54.5190 45.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3660 56.6820 44.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8000 49.7680 47.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5500 51.3490 45.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4060 56.1730 46.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9370 56.3440 46.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3760 50.1730 49.8070 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0880 58.2370 43.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9650 58.1030 42.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8260 59.2200 44.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4200 53.9790 52.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0640 52.1430 48.6340 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8760 52.1370 50.8860 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5860 51.4140 47.4160 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7810 52.2690 45.3400 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0600 51.1370 47.3510 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5600 52.0540 46.2120 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7700 53.6460 44.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4340 51.4100 49.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1510 53.5500 48.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0060 53.5430 51.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6330 54.3110 49.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 11 2 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 21 1 0 0 0 0 10 22 2 0 0 0 0 14 24 2 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 22 1 0 0 0 0 16 24 1 0 0 0 0 17 15 1 1 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 1 0 0 0 19 6 1 6 0 0 0 19 20 1 0 0 0 0 20 7 1 6 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 M END $$$$ 585656 OpenBabel12061010053D 13 13 0 0 0 0 0 0 0 0999 V2000 4.7690 28.3980 15.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7930 29.0130 17.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2560 29.1940 16.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2940 27.6690 15.0310 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0970 29.5370 16.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8540 28.3300 16.2950 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5920 29.6600 16.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3540 28.5930 16.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7530 28.6940 17.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8660 30.2590 15.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8800 29.3020 16.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1380 28.5750 17.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2510 30.1450 15.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 8 1 0 0 0 0 3 11 1 0 0 0 0 5 7 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 4 1 6 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 M END $$$$ 585657 OpenBabel12061010053D 16 15 0 0 0 0 0 0 0 0999 V2000 13.8950 21.5490 32.5940 P 0 0 0 0 0 0 0 0 0 0 0 0 14.0220 20.4960 31.3570 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9060 22.6280 32.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4580 22.0340 32.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2460 20.7600 33.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3950 22.3190 29.9690 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0360 19.1970 28.7910 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7840 21.3540 27.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8920 22.9020 26.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9180 25.0450 26.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7030 21.4380 29.1180 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7670 20.0240 29.6670 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3810 21.5310 27.7540 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2620 19.8430 31.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0060 22.8680 27.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9100 24.1140 27.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 14 1 0 0 0 0 9 15 2 0 0 0 0 10 16 1 0 0 0 0 11 6 1 1 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 7 1 1 0 0 0 12 14 1 0 0 0 0 13 8 1 1 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 M END $$$$ 585722 OpenBabel12061010053D 20 22 0 0 0 0 0 0 0 0999 V2000 44.2780 1.2380 65.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 46.5620 1.3250 63.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 38.9600 1.6460 63.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 40.1640 3.2950 62.0950 N 0 0 0 0 0 0 0 0 0 0 0 0 42.7690 1.9210 61.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 44.1180 1.4730 63.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 41.4720 2.0990 60.8260 C 0 0 1 0 0 0 0 0 0 0 0 0 45.2870 1.5110 62.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 42.8680 1.6570 63.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 43.9510 1.9370 60.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 45.1820 1.7430 61.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 40.4790 1.0970 61.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 40.9230 3.5030 60.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 39.7560 2.0290 62.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 43.1120 1.3120 65.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 42.5890 -0.0590 66.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 43.9160 1.8610 67.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 42.6170 0.0890 67.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.9760 0.7200 68.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 47.7580 1.9950 63.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 15 1 0 0 0 0 2 8 1 0 0 0 0 2 20 1 0 0 0 0 3 14 2 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 5 1 1 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 11 1 0 0 0 0 10 11 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 19 1 0 0 0 0 M END $$$$ 585736 OpenBabel12061010053D 14 14 0 0 0 0 0 0 0 0999 V2000 39.2650 0.9610 57.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 42.6040 -0.4650 59.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 41.7910 -1.7770 57.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 38.6640 -2.0460 56.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 40.4440 1.7430 62.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 41.6300 2.1570 60.3960 N 0 0 0 0 0 0 0 0 0 0 0 0 41.8120 0.2000 58.9180 C 0 0 1 0 0 0 0 0 0 0 0 0 40.9490 -0.8160 58.0800 C 0 0 1 0 0 0 0 0 0 0 0 0 40.8650 1.1800 59.6120 C 0 0 2 0 0 0 0 0 0 0 0 0 40.0440 0.0000 57.0110 C 0 0 1 0 0 0 0 0 0 0 0 0 40.0070 1.8980 58.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0820 -0.8970 56.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 41.3400 2.3460 61.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 42.1320 3.3440 62.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 2 0 0 0 0 6 13 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 6 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 13 14 1 0 0 0 0 M END $$$$ 585737 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 43.3960 -8.5530 57.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 42.3180 -11.5980 60.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 44.5920 -11.8500 58.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 40.9440 -9.7270 58.4090 O 0 0 0 0 0 0 0 0 0 0 0 0 41.8440 -7.1300 58.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 45.6320 -8.7770 55.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 42.9990 -10.4680 59.5210 C 0 0 1 0 0 0 0 0 0 0 0 0 43.6590 -10.8360 58.1830 C 0 0 1 0 0 0 0 0 0 0 0 0 41.9760 -9.3520 59.3160 C 0 0 1 0 0 0 0 0 0 0 0 0 44.3730 -9.6300 57.6060 C 0 0 1 0 0 0 0 0 0 0 0 0 42.7560 -8.1750 58.7150 C 0 0 1 0 0 0 0 0 0 0 0 0 45.0050 -9.9470 56.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 585740 OpenBabel12061010053D 25 27 0 0 0 0 0 0 0 0999 V2000 10.1090 -1.6900 53.4800 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8170 -0.3840 53.4140 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4150 -4.5610 59.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9450 -3.1670 60.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9690 -3.0850 54.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3300 -1.2610 54.7570 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6250 -0.5180 50.5890 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4340 -2.4840 56.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4670 -1.0270 53.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3210 -3.6530 58.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5570 -2.3080 55.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0930 -2.9460 59.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4950 -3.4260 57.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6780 -1.1820 52.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3420 -0.6150 52.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2010 -1.7690 57.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0270 -2.0030 59.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6970 -5.3480 58.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7060 -0.9210 51.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4520 -0.3840 51.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -4.4020 57.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8780 -6.4230 58.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 -4.4470 58.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7050 -5.6600 59.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6950 -2.4180 61.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 3 10 1 0 0 0 0 3 18 1 0 0 0 0 4 12 1 0 0 0 0 4 25 1 0 0 0 0 5 11 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 19 2 0 0 0 0 7 20 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 16 2 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 12 17 2 0 0 0 0 14 19 1 0 0 0 0 15 20 2 0 0 0 0 16 17 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 24 1 0 0 0 0 M END $$$$ 585777 OpenBabel12061010053D 4 3 0 0 0 0 0 0 0 0999 V2000 -12.6870 -12.9650 8.4560 S 0 0 0 0 0 0 0 0 0 0 0 0 -15.0050 -9.7430 8.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4250 -11.5080 9.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6280 -10.9020 8.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 3 4 1 0 0 0 0 M END $$$$ 585782 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 47.4170 -31.8040 30.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 51.2940 -32.0510 31.7490 O 0 0 0 0 0 0 0 0 0 0 0 0 49.1240 -31.8980 33.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 50.1110 -31.3120 29.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 47.7610 -32.9740 28.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 45.8370 -31.5890 33.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 49.9810 -32.5110 31.4830 C 0 0 1 0 0 0 0 0 0 0 0 0 48.9740 -31.6670 32.2890 C 0 0 1 0 0 0 0 0 0 0 0 0 49.6950 -32.5270 29.9640 C 0 0 1 0 0 0 0 0 0 0 0 0 47.5260 -31.9240 31.8430 C 0 0 1 0 0 0 0 0 0 0 0 0 48.1960 -32.7440 29.7040 C 0 0 1 0 0 0 0 0 0 0 0 0 46.5460 -30.9440 32.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 585787 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 48.0710 -40.1690 168.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 46.3030 -38.3590 171.4680 O 0 0 0 0 0 0 0 0 0 0 0 0 46.4790 -41.2260 171.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 46.7280 -37.4730 169.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 48.6380 -38.1040 167.3670 O 0 0 0 0 0 0 0 0 0 0 0 0 47.7800 -43.3540 169.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 47.3380 -39.0350 170.7700 C 0 0 1 0 0 0 0 0 0 0 0 0 46.7980 -40.3630 170.2480 C 0 0 1 0 0 0 0 0 0 0 0 0 47.8380 -38.1410 169.6190 C 0 0 1 0 0 0 0 0 0 0 0 0 47.8680 -40.9940 169.3750 C 0 0 1 0 0 0 0 0 0 0 0 0 48.6580 -38.8880 168.5240 C 0 0 1 0 0 0 0 0 0 0 0 0 47.5040 -42.3930 168.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 585792 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 -2.6670 -22.2970 0.0610 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 -23.0100 -1.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7230 -20.8840 -0.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 -21.5820 0.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6470 -24.8040 2.9180 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2800 -24.5020 1.6230 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3590 -23.2110 0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5060 -23.9300 0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7890 -23.4930 2.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3570 -25.1860 1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5440 -24.0750 3.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1880 -25.8020 1.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 M END $$$$ 585842 OpenBabel12061010053D 6 5 0 0 0 0 0 0 0 0999 V2000 133.1510 20.2900 40.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 134.1300 19.6700 38.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 135.4570 21.9830 37.9790 N 0 0 0 0 0 0 0 0 0 0 0 0 133.9100 20.5060 39.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 134.5910 21.8720 39.1870 C 0 0 2 0 0 0 0 0 0 0 0 0 133.5370 22.9820 39.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 4 1 0 0 0 0 5 4 1 6 0 0 0 5 3 1 0 0 0 0 5 6 1 0 0 0 0 M END $$$$ 585876 OpenBabel12061010053D 14 13 0 0 0 0 0 0 0 0999 V2000 29.2420 -12.2410 16.2280 P 0 0 0 0 0 0 0 0 0 0 0 0 28.0870 -11.1230 16.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8470 -13.1700 17.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 30.5130 -11.4680 16.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1700 -12.8640 14.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4590 -8.7960 16.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8220 -9.1040 12.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1500 -8.9040 13.9870 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4680 -6.3480 14.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8010 -6.7710 14.1520 N 0 0 0 0 0 0 0 0 0 0 0 0 26.6660 -9.4860 15.2180 C 0 0 1 0 0 0 0 0 0 0 0 0 26.4790 -8.5010 14.0670 C 0 0 2 0 0 0 0 0 0 0 0 0 28.0510 -10.1160 15.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0420 -8.0720 14.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 13 1 0 0 0 0 8 14 2 0 0 0 0 9 10 1 0 0 0 0 10 14 1 0 0 0 0 11 6 1 1 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 7 1 6 0 0 0 12 14 1 0 0 0 0 M END $$$$ 585882 OpenBabel12061010053D 26 28 0 0 0 0 0 0 0 0999 V2000 -0.0100 15.4540 24.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 15.8070 26.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 12.0780 29.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 21.5270 26.6350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5640 10.2500 28.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 20.5970 24.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 16.2610 26.5620 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1710 16.3260 25.2730 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0480 15.9130 26.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 15.6870 27.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 14.2170 27.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6050 17.7740 24.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 18.7400 24.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 15.3900 24.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 12.4390 28.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 13.7370 28.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 20.4240 25.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 19.6060 25.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 11.5970 28.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1580 13.3660 27.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 20.3650 24.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 18.7070 23.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 12.0690 28.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 19.5140 23.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5290 11.5380 28.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 22.6200 26.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 2 9 2 0 0 0 0 3 15 1 0 0 0 0 3 25 1 0 0 0 0 4 17 1 0 0 0 0 4 26 1 0 0 0 0 5 19 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 6 0 0 0 8 12 1 6 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 11 16 1 0 0 0 0 11 20 2 0 0 0 0 12 13 1 0 0 0 0 13 18 1 0 0 0 0 13 22 2 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 19 23 2 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 22 24 1 0 0 0 0 M END $$$$ 585889 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 15.7080 30.0000 127.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0080 32.9860 129.6860 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8540 32.2310 127.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8820 31.8010 128.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9020 28.9680 129.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4230 30.9860 124.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4160 31.7780 129.0390 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2030 31.8740 127.5170 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7580 31.0970 129.3540 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4750 30.5540 126.7710 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7600 29.7560 128.6230 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3290 30.5690 125.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 818903 OpenBabel12061010053D 23 26 0 0 0 0 0 0 0 0999 V2000 23.2110 12.8760 55.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7010 7.3010 65.5120 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7850 11.4040 58.1680 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4820 10.0600 58.5970 C 0 0 2 0 0 0 0 0 0 0 0 0 22.6140 10.0220 62.4330 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4340 10.0950 60.8720 C 0 0 2 0 0 0 0 0 0 0 0 0 23.7880 9.9960 60.0970 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7140 11.1490 56.6260 C 0 0 2 0 0 0 0 0 0 0 0 0 23.4520 8.7270 62.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4310 11.4340 58.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6320 11.3540 60.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6730 9.9180 57.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4480 8.6370 60.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0720 10.4490 56.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2050 9.9350 63.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6970 8.4420 61.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3750 12.3870 55.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6590 12.6770 58.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1180 7.8720 63.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4270 11.2460 63.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0000 8.1250 64.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2400 9.4460 64.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0090 12.9750 55.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 21 2 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 3 18 1 1 0 0 0 4 7 1 0 0 0 0 4 12 1 1 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 5 20 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 7 13 1 6 0 0 0 8 14 1 0 0 0 0 8 17 1 1 0 0 0 9 16 1 0 0 0 0 9 19 2 0 0 0 0 10 11 1 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 15 22 1 0 0 0 0 17 23 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 M END $$$$ 819016 OpenBabel12061010053D 17 19 0 0 0 0 0 0 0 0999 V2000 22.1180 60.5690 52.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4860 61.1890 51.8740 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8080 58.0370 54.9600 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7950 56.0480 55.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0330 59.2980 56.7170 N 0 0 0 0 0 0 0 0 0 0 0 0 24.6880 57.8900 57.7940 N 0 0 0 0 0 0 0 0 0 0 0 0 25.0770 55.6130 57.2480 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7310 58.1810 55.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9470 59.1130 54.4550 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3710 56.9040 56.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0130 59.7010 52.9870 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8860 56.7410 54.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4020 56.7760 57.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7460 60.5340 52.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4510 59.0760 54.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7910 59.8810 53.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0240 59.0400 57.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 2 14 2 0 0 0 0 3 8 1 0 0 0 0 3 12 1 0 0 0 0 4 10 1 0 0 0 0 4 12 2 0 0 0 0 5 8 2 0 0 0 0 5 17 1 0 0 0 0 6 13 1 0 0 0 0 6 17 2 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 9 3 1 6 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 13 2 0 0 0 0 11 1 1 1 0 0 0 11 14 1 0 0 0 0 14 16 1 0 0 0 0 15 16 1 0 0 0 0 M END $$$$ 819062 OpenBabel12061010053D 24 26 0 0 0 0 0 0 0 0999 V2000 17.7600 138.7460 22.0450 P 0 0 0 0 0 0 0 0 0 0 0 0 21.4160 136.8560 23.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5550 134.0590 23.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0680 133.8500 22.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0410 138.0870 22.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4500 136.1410 30.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8190 138.7910 20.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6420 137.9100 22.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7950 140.0570 22.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5070 136.2230 26.0960 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2460 137.1770 27.7180 N 0 0 0 0 0 0 0 0 0 0 0 0 22.6940 134.5110 27.5000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.9820 134.6560 29.8120 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5620 133.0870 29.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 22.0650 135.9770 24.7110 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8020 135.5550 27.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6250 134.6020 24.2020 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0200 136.1600 28.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3050 134.7980 23.5770 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3810 136.1710 23.0110 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5620 137.1750 26.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0830 135.7070 29.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7490 134.0870 28.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0490 136.7790 23.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 15 1 0 0 0 0 2 20 1 0 0 0 0 5 24 1 0 0 0 0 6 22 2 0 0 0 0 10 16 1 0 0 0 0 10 21 1 0 0 0 0 11 18 1 0 0 0 0 11 21 2 0 0 0 0 12 16 1 0 0 0 0 12 23 2 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 23 1 0 0 0 0 15 10 1 1 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 17 3 1 6 0 0 0 17 19 1 0 0 0 0 18 22 1 0 0 0 0 19 4 1 6 0 0 0 19 20 1 0 0 0 0 20 24 1 1 0 0 0 M END $$$$ 819409 OpenBabel12061010053D 22 22 0 0 0 0 0 0 0 0999 V2000 19.4230 -11.6770 22.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1730 -11.3760 24.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8810 -12.9300 24.9750 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9970 -10.6420 24.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1420 -12.1730 22.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7800 -13.4580 20.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2180 -12.4280 24.4340 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8960 -11.9200 25.0450 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9500 -12.7910 22.9520 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3360 -10.7650 24.1970 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1900 -11.2060 22.7470 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1790 -13.1920 22.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6070 -13.3070 24.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9740 -11.5270 26.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2120 -13.5950 22.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9000 -9.8290 24.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9550 -10.3290 22.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6270 -14.0830 22.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8570 -12.3380 22.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4590 -11.2700 25.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5270 -12.8380 24.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3890 -12.6470 20.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 20 1 0 0 0 0 3 8 1 0 0 0 0 3 21 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 1 0 0 0 8 10 1 0 0 0 0 8 14 1 1 0 0 0 9 12 1 0 0 0 0 9 15 1 6 0 0 0 10 11 1 0 0 0 0 10 16 1 1 0 0 0 11 17 1 6 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$ 819483 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 30.6720 43.2840 69.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 30.8260 41.3180 73.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 32.3400 43.7840 73.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 32.3010 45.4460 69.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5240 43.0700 72.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4950 41.0730 72.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 28.7250 42.0480 69.3570 N 0 0 0 0 0 0 0 0 0 0 0 0 29.7600 41.6720 71.5330 C 0 0 2 0 0 0 0 0 0 0 0 0 30.5070 42.3310 72.6700 C 0 0 2 0 0 0 0 0 0 0 0 0 31.7600 43.0120 72.1800 C 0 0 1 0 0 0 0 0 0 0 0 0 29.4750 42.6860 70.4490 C 0 0 1 0 0 0 0 0 0 0 0 0 31.4400 43.9790 71.0240 C 0 0 1 0 0 0 0 0 0 0 0 0 32.6850 44.5480 70.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4970 41.8400 72.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2980 41.0350 72.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 819490 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 5.8610 22.7360 28.9120 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3790 22.8790 29.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8600 22.2020 27.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5310 24.2700 28.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8660 19.0310 34.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0760 20.8160 32.2910 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8010 21.6520 29.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2510 21.6910 31.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7190 19.3560 32.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2670 21.3270 33.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7310 18.5140 33.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2650 20.4330 34.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 M END $$$$ 819609 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 51.5130 60.7160 65.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 54.3750 59.8880 68.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 51.8330 58.5830 68.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 49.5550 61.1600 67.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 55.8180 62.5630 66.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 55.1740 60.6340 65.3310 N 0 0 0 0 0 0 0 0 0 0 0 0 53.1130 61.5940 63.6750 N 0 0 0 0 0 0 0 0 0 0 0 0 53.8200 60.7630 65.8330 C 0 0 2 0 0 0 0 0 0 0 0 0 53.5480 59.7000 66.8840 C 0 0 2 0 0 0 0 0 0 0 0 0 52.0820 59.7300 67.3190 C 0 0 1 0 0 0 0 0 0 0 0 0 52.8490 60.5960 64.6890 C 0 0 1 0 0 0 0 0 0 0 0 0 51.1480 59.6820 66.1050 C 0 0 1 0 0 0 0 0 0 0 0 0 49.7010 59.8880 66.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 56.0830 61.5680 65.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 57.4800 61.3590 65.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 819677 OpenBabel12061010053D 20 20 0 0 0 0 0 0 0 0999 V2000 -15.0290 -3.2860 50.0190 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.4610 -1.8200 44.1310 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.9230 -3.2260 45.6340 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8800 -1.2510 44.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.1980 -1.2690 47.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.0880 -0.5460 44.7910 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.4680 -4.9070 46.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5880 -3.4180 50.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.5290 -1.9290 50.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.8570 -4.2090 50.7550 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6470 -0.8190 43.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5570 -3.0650 43.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0920 -1.9880 45.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.2550 -3.6910 48.4510 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.4890 -2.9630 47.4590 C 0 0 2 0 0 0 0 0 0 0 0 0 -15.3850 -2.1710 46.5160 C 0 0 2 0 0 0 0 0 0 0 0 0 -14.4180 -1.4140 45.6290 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.7620 -2.4630 44.7990 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.6310 -3.9210 46.6270 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.9540 -1.9290 43.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 1 9 2 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 2 4 1 0 0 0 0 2 11 2 0 0 0 0 2 12 2 0 0 0 0 2 13 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 20 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 5 1 1 0 0 0 16 17 1 0 0 0 0 17 6 1 6 0 0 0 17 18 1 0 0 0 0 18 20 1 1 0 0 0 19 7 1 6 0 0 0 M END $$$$ 819708 OpenBabel12061010053D 8 7 0 0 0 0 0 0 0 0999 V2000 95.4260 18.5410 -2.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 91.9240 15.1400 -3.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 94.2220 16.9820 -1.4810 O 0 0 0 0 0 0 0 0 0 0 0 0 93.6250 15.4230 -4.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 94.3650 17.8920 -2.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 92.6820 15.8660 -3.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 93.1850 18.2910 -3.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 92.4160 17.3640 -3.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 2 6 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 8 1 0 0 0 0 M END $$$$ 819764 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 64.0050 58.6880 30.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 64.1630 62.3480 32.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 62.6040 62.0200 30.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 64.1370 59.3180 28.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 66.6860 60.7520 34.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 64.5520 59.9590 34.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 64.6970 57.5550 32.7220 N 0 0 0 0 0 0 0 0 0 0 0 0 64.5250 59.9460 32.7630 C 0 0 2 0 0 0 0 0 0 0 0 0 63.6760 61.1240 32.2520 C 0 0 2 0 0 0 0 0 0 0 0 0 63.6340 61.1680 30.7000 C 0 0 1 0 0 0 0 0 0 0 0 0 63.9700 58.6390 32.1730 C 0 0 1 0 0 0 0 0 0 0 0 0 63.1960 59.7870 30.2680 C 0 0 1 0 0 0 0 0 0 0 0 0 63.0610 59.8610 28.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 65.5850 60.3960 34.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 65.4300 60.3490 36.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 819771 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 101.3430 13.5640 70.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 97.9030 14.1160 68.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 98.6600 12.9280 71.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 100.2120 15.0390 68.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 101.7310 15.5310 69.4110 O 0 0 0 0 0 0 0 0 0 0 0 0 99.8280 11.3240 67.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 98.5150 14.2700 69.6880 C 0 0 1 0 0 0 0 0 0 0 0 0 98.9470 12.9180 70.2500 C 0 0 1 0 0 0 0 0 0 0 0 0 99.7160 15.1780 69.5450 C 0 0 1 0 0 0 0 0 0 0 0 0 100.4350 12.5650 70.0130 C 0 0 1 0 0 0 0 0 0 0 0 0 100.9240 14.9400 70.4420 C 0 0 1 0 0 0 0 0 0 0 0 0 100.7750 12.2170 68.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 819782 OpenBabel12061010053D 23 25 0 0 0 0 0 0 0 0999 V2000 196.7920 128.4980 -5.5530 O 0 0 0 0 0 0 0 0 0 0 0 0 198.8710 128.4340 -3.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 197.7610 126.4350 -3.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 196.2810 129.7890 -3.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 194.1280 128.1110 -4.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 201.5290 128.4900 -4.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 199.6110 131.2870 -6.9730 O 0 0 0 0 0 0 0 0 0 0 0 0 197.1600 130.0090 -7.8820 N 0 0 0 0 0 0 0 0 0 0 0 0 202.0330 129.9100 -6.9720 N 0 0 0 0 0 0 0 0 0 0 0 0 196.4640 128.4250 -4.1490 C 0 0 2 0 0 0 0 0 0 0 0 0 198.0220 129.2100 -5.7540 C 0 0 1 0 0 0 0 0 0 0 0 0 199.1580 128.4700 -5.0270 C 0 0 1 0 0 0 0 0 0 0 0 0 197.6170 127.7830 -3.3610 C 0 0 2 0 0 0 0 0 0 0 0 0 198.3000 129.2770 -7.2500 C 0 0 2 0 0 0 0 0 0 0 0 0 195.1950 127.6420 -3.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 200.4880 129.1950 -5.2600 C 0 0 2 0 0 0 0 0 0 0 0 0 200.7870 129.2330 -6.7630 C 0 0 1 0 0 0 0 0 0 0 0 0 199.6620 129.9900 -7.4820 C 0 0 2 0 0 0 0 0 0 0 0 0 195.2980 126.2220 -3.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 196.7140 125.7590 -2.9800 C 0 0 1 0 0 0 0 0 0 0 0 0 196.8130 124.2580 -3.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 197.3760 130.2720 -9.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 202.9640 128.9400 -7.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 3 20 1 0 0 0 0 5 15 2 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 10 4 1 1 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 11 1 1 6 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 2 1 1 0 0 0 12 16 1 0 0 0 0 13 3 1 6 0 0 0 13 2 1 0 0 0 0 14 8 1 1 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 16 6 1 6 0 0 0 16 17 1 0 0 0 0 17 9 1 1 0 0 0 17 18 1 0 0 0 0 18 7 1 1 0 0 0 19 20 1 0 0 0 0 20 21 1 6 0 0 0 M END $$$$ 819792 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 36.8730 38.2350 -5.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 38.9600 37.6780 -5.8860 O 0 0 0 0 0 0 0 0 0 0 0 0 37.5760 40.3840 -3.9670 N 0 0 0 0 0 0 0 0 0 0 0 0 37.1750 36.5460 -0.5380 N 0 0 0 0 0 0 0 0 0 0 0 0 38.6310 39.4580 -4.3550 C 0 0 2 0 0 0 0 0 0 0 0 0 38.0940 38.3040 -5.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 39.3740 38.9180 -3.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 38.5220 38.1110 -2.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 39.1640 36.7490 -1.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 38.1050 35.7610 -1.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 6 1 0 0 0 0 4 10 1 0 0 0 0 5 3 1 1 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 M END $$$$ 819821 OpenBabel12061010053D 23 24 0 0 0 0 0 0 0 0999 V2000 66.3740 -4.2980 -31.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 71.0830 -6.0650 -33.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 71.4060 -4.0780 -35.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 66.3590 -2.0810 -31.3500 N 0 0 0 0 0 0 0 0 0 0 0 0 65.0720 -1.6670 -30.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 62.5820 -0.5890 -29.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 64.6930 -0.3380 -31.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 64.1800 -2.4700 -30.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 63.4690 0.1920 -30.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 62.9280 -1.9170 -29.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 61.2760 -0.0040 -29.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 66.9390 -3.2270 -31.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 59.6880 1.9470 -29.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 60.9550 1.2710 -29.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 68.4550 -3.1800 -31.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 58.6450 1.2250 -28.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 59.5400 3.3220 -29.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 69.0110 -4.0670 -32.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 57.4620 1.8790 -28.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 58.3370 3.9800 -29.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 57.2970 3.2460 -28.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 70.5000 -3.9830 -32.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 71.0460 -4.8500 -34.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 23 2 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 8 10 2 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 18 22 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 M END $$$$ 819843 OpenBabel12061010053D 18 20 0 0 0 0 0 0 0 0999 V2000 27.9720 21.7500 33.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9360 21.8810 34.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5940 17.9340 36.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0410 20.7950 34.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4540 20.8200 34.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0520 22.1660 32.4040 C 0 0 1 0 0 0 0 0 0 0 0 0 25.1270 21.8300 34.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8290 22.8120 33.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7630 23.1450 31.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3090 19.8360 34.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4960 19.8150 35.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7830 18.8470 35.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3720 18.8500 36.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3260 24.5240 31.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9260 22.6870 30.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0410 25.4060 30.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6350 23.5690 29.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1940 24.9310 29.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 7 2 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 11 2 0 0 0 0 5 10 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 1 0 0 0 7 8 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 13 2 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 16 18 2 0 0 0 0 17 18 1 0 0 0 0 M END $$$$ 819851 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 12.5760 8.2880 38.3060 P 0 0 0 0 0 0 0 0 0 0 0 0 9.4910 1.4110 38.6250 P 0 0 0 0 0 0 0 0 0 0 0 0 8.9980 5.6380 39.6690 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3590 7.2490 38.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4610 7.6510 41.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6470 2.9760 38.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6370 9.0030 39.6130 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8590 7.5590 38.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2860 9.2430 37.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5710 0.8670 37.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9300 1.2070 40.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8550 0.7810 38.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5100 6.5910 41.7400 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6960 5.7910 43.7280 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9980 8.5620 41.3740 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3640 8.7810 43.2120 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3110 7.2650 45.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3220 6.7170 40.5290 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8190 6.5460 40.7560 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2840 6.1760 39.3510 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1800 5.2450 38.9020 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4730 7.4340 42.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9820 6.9200 43.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5830 5.6380 42.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4720 3.7760 39.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8770 7.6380 43.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9290 9.1800 42.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 6 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 6 25 1 0 0 0 0 13 22 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 22 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 18 13 1 1 0 0 0 18 19 1 0 0 0 0 19 5 1 6 0 0 0 19 20 1 0 0 0 0 20 4 1 6 0 0 0 20 21 1 0 0 0 0 21 25 1 1 0 0 0 22 23 1 0 0 0 0 23 26 2 0 0 0 0 M END $$$$ 819878 OpenBabel12061010053D 14 14 0 0 0 0 0 0 0 0999 V2000 81.9720 1.6030 50.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 85.6270 0.3350 49.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 85.3910 2.9440 50.6480 O 0 0 0 0 0 0 0 0 0 0 0 0 81.9850 4.0520 49.7050 O 0 0 0 0 0 0 0 0 0 0 0 0 84.3780 -1.9550 48.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 83.7500 -1.6030 50.4180 N 0 0 0 0 0 0 0 0 0 0 0 0 84.6400 0.6660 50.4180 C 0 0 1 0 0 0 0 0 0 0 0 0 84.2730 2.1470 50.2910 C 0 0 1 0 0 0 0 0 0 0 0 0 83.4070 -0.2090 50.2080 C 0 0 2 0 0 0 0 0 0 0 0 0 83.0830 2.4900 51.2020 C 0 0 1 0 0 0 0 0 0 0 0 0 82.3000 0.2240 51.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 82.5820 3.9070 50.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 83.9880 -2.3880 49.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 83.7540 -3.8800 49.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 2 0 0 0 0 6 13 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 6 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 13 14 1 0 0 0 0 M END $$$$ 819890 OpenBabel12061010053D 16 15 0 0 0 0 0 0 0 0999 V2000 20.1080 102.0310 24.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9060 101.7950 24.5170 N 0 3 0 0 0 0 0 0 0 0 0 0 18.6950 100.4660 23.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1490 99.0510 24.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3430 98.2630 22.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2830 101.8280 25.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2520 102.8090 23.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3850 96.7550 23.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8640 95.9980 21.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9440 94.4990 22.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2590 93.7190 20.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7610 93.5100 20.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0650 92.1600 19.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5550 92.0030 19.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8980 90.5920 19.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3990 90.3550 19.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 M CHG 1 2 1 M END $$$$ 819911 OpenBabel12061010053D 12 13 0 0 0 0 0 0 0 0999 V2000 4.8060 13.1230 33.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0390 12.3690 31.9680 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9840 12.5740 32.7010 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5720 11.2500 30.1320 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2040 10.6490 29.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4120 11.5740 31.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2030 12.2040 32.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6890 11.1960 30.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2700 12.4370 33.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6630 10.6040 29.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7550 11.4400 31.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5290 12.0550 32.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 11 12 2 0 0 0 0 M END $$$$ 819919 OpenBabel12061010053D 12 11 0 0 0 0 0 0 0 0999 V2000 6.5970 17.7740 34.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9820 18.1000 32.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5970 12.6870 32.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 15.5570 35.2940 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4970 12.0360 31.5630 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3290 11.3830 30.3460 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2510 16.1140 34.0390 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5600 17.4300 33.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0550 15.1260 32.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6280 13.7370 33.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8090 12.0360 31.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0530 12.7550 32.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 8 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 5 11 2 0 0 0 0 6 11 1 0 0 0 0 7 4 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 M END $$$$ 819965 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 -16.6110 69.3630 62.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.6590 70.8060 65.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8030 71.8160 62.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.4140 68.4160 60.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.4350 68.0830 67.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.1520 69.9620 66.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.7840 68.3700 64.2350 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.7460 69.6410 64.6340 C 0 0 2 0 0 0 0 0 0 0 0 0 -14.8430 70.7860 64.1670 C 0 0 2 0 0 0 0 0 0 0 0 0 -14.3240 70.5300 62.7500 C 0 0 1 0 0 0 0 0 0 0 0 0 -17.0170 69.5450 63.7800 C 0 0 1 0 0 0 0 0 0 0 0 0 -15.5450 70.2030 61.8600 C 0 0 1 0 0 0 0 0 0 0 0 0 -15.1730 69.5720 60.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2730 68.9560 66.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5520 69.0530 67.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 819977 OpenBabel12061010053D 9 8 0 0 0 0 0 0 0 0999 V2000 -15.5150 71.4640 41.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.7040 68.7130 42.5190 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.6320 71.6340 42.2720 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.2700 69.8670 43.1860 C 0 0 2 0 0 0 0 0 0 0 0 0 -16.4380 71.0650 42.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4910 70.2500 44.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9630 71.4170 45.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3060 71.2940 45.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9580 72.0860 46.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 3 5 1 0 0 0 0 4 2 1 6 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 M END $$$$ 819984 OpenBabel12061010053D 17 17 0 0 0 0 0 0 0 0999 V2000 -14.6560 64.8830 40.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.6070 68.0470 40.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.2040 64.8010 39.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.7180 65.6900 40.7980 C 0 0 2 0 0 0 0 0 0 0 0 0 -17.0440 65.0000 40.4810 C 0 0 2 0 0 0 0 0 0 0 0 0 -15.6610 67.0940 40.2330 C 0 0 2 0 0 0 0 0 0 0 0 0 -17.2120 63.6830 41.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.6170 63.1470 40.9740 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.2650 67.6910 40.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.7950 61.6510 41.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.6970 63.9230 41.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3920 69.1750 39.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.1600 61.1960 40.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.0660 63.5910 41.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.3290 62.1050 40.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0450 69.3610 38.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0950 69.9440 39.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 6 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 3 1 6 0 0 0 5 7 1 0 0 0 0 6 2 1 1 0 0 0 6 9 1 0 0 0 0 8 7 1 1 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 15 2 0 0 0 0 14 15 1 0 0 0 0 M END $$$$ 820005 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 19.1650 4.4160 8.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3020 2.5860 11.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4660 2.8250 8.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3630 4.6110 11.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7080 6.1850 9.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6340 4.4950 5.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9170 3.5920 10.1940 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0760 3.0590 8.7650 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4680 4.0040 10.4540 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5200 4.0580 7.7430 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0110 4.9930 9.3800 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4830 3.4800 6.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 820072 OpenBabel12061010053D 13 13 0 0 0 0 0 0 0 0999 V2000 -20.4100 22.2490 52.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 -21.2610 22.7810 50.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.9030 20.8640 50.9980 N 0 0 0 0 0 0 0 0 0 0 0 0 -19.1350 21.8190 50.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.0250 21.8510 49.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0650 21.2920 51.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8710 21.3990 48.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8260 20.9020 49.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.3180 22.3120 51.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.8470 22.2080 48.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1520 21.2090 52.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7740 21.4370 47.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9370 20.5370 49.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 9 1 0 0 0 0 3 6 1 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 9 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 M END $$$$ 820081 OpenBabel12061010053D 31 35 0 0 0 0 0 0 0 0999 V2000 19.7770 1.3170 24.8020 S 0 0 0 0 0 0 0 0 0 0 0 0 16.6770 -3.3340 23.1520 S 0 0 0 0 0 0 0 0 0 0 0 0 21.7380 -4.1570 22.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0420 2.3870 29.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5870 4.5800 29.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4720 -10.3210 18.8560 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0410 -2.1080 23.6580 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2950 -4.1840 22.6490 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4440 3.4530 28.9740 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2220 -7.9820 20.1010 N 0 0 0 0 0 0 0 0 0 0 0 0 20.3080 -2.3680 23.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6500 -0.8750 24.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0020 -0.3120 24.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4230 -3.1980 23.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5690 -3.6350 22.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0560 -1.2590 23.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5560 0.0540 24.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0520 1.3430 24.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3630 2.4960 25.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9430 -5.4250 21.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9060 2.5220 26.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3630 3.5050 25.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0620 -6.4620 21.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5270 3.4170 27.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9110 4.4610 26.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4930 4.3500 27.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4050 -6.7410 20.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4400 -9.1730 19.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4540 -7.8630 19.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2680 -10.4700 19.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2540 -9.1800 19.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 18 1 0 0 0 0 2 14 2 0 0 0 0 3 15 2 0 0 0 0 4 9 2 0 0 0 0 5 9 2 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 20 1 0 0 0 0 9 24 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 15 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 16 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 21 1 0 0 0 0 19 22 2 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 22 25 1 0 0 0 0 23 27 1 0 0 0 0 24 26 1 0 0 0 0 25 26 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 M END $$$$ 820093 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 11.7930 8.8900 27.1520 P 0 0 0 0 0 0 0 0 0 0 0 0 10.5900 10.3000 20.0380 P 0 0 0 0 0 0 0 0 0 0 0 0 13.8470 10.6850 22.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9750 8.9700 25.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6300 8.7840 25.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0970 9.7010 21.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1310 8.4560 27.8110 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7040 7.8130 27.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3350 10.2700 27.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2060 9.7040 19.7050 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5010 11.8550 20.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6250 9.8570 18.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5830 11.9600 24.1560 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9770 14.0900 24.7220 N 0 0 0 0 0 0 0 0 0 0 0 0 17.8680 11.3780 23.3040 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3540 13.1960 23.4550 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7560 15.2770 24.3010 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8290 10.7030 23.9790 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1400 10.1090 25.2240 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6520 10.0980 24.8700 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6850 9.9560 23.3340 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9020 12.2030 23.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1340 13.5550 24.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0310 13.1020 24.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4370 10.5340 22.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4080 14.0050 23.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0870 11.9090 23.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 6 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 6 25 1 0 0 0 0 13 22 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 22 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 18 13 1 1 0 0 0 18 19 1 0 0 0 0 19 5 1 6 0 0 0 19 20 1 0 0 0 0 20 4 1 6 0 0 0 20 21 1 0 0 0 0 21 25 1 1 0 0 0 22 23 1 0 0 0 0 23 26 2 0 0 0 0 M END $$$$ 820109 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 33.6450 21.3530 28.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 34.1430 24.5140 26.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 32.8810 22.6490 24.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 31.3930 20.5510 25.2830 O 0 0 0 0 0 0 0 0 0 0 0 0 37.1010 23.6860 29.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 34.9490 23.8430 30.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 33.2430 18.6690 27.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 35.3810 22.8500 28.1840 N 0 0 0 0 0 0 0 0 0 0 0 0 34.0200 22.7160 27.7560 C 0 0 1 0 0 0 0 0 0 0 0 0 34.0500 23.0910 26.2420 C 0 0 1 0 0 0 0 0 0 0 0 0 32.7770 22.5400 25.5590 C 0 0 2 0 0 0 0 0 0 0 0 0 32.5430 21.0550 25.9050 C 0 0 1 0 0 0 0 0 0 0 0 0 32.4350 20.8950 27.4650 C 0 0 1 0 0 0 0 0 0 0 0 0 32.2500 19.4510 27.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7480 23.3930 29.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 37.5830 23.7810 30.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 15 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 8 1 6 0 0 0 9 10 1 0 0 0 0 10 2 1 1 0 0 0 10 11 1 0 0 0 0 11 3 1 6 0 0 0 11 12 1 0 0 0 0 12 4 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 6 0 0 0 M END $$$$ 820132 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 25.1560 -3.6700 -1.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3120 -3.8490 2.6740 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3500 -5.5840 0.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0700 -2.7390 -1.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5490 -4.8960 -0.6050 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6180 -1.9270 1.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7160 -2.3640 1.1640 N 0 0 0 0 0 0 0 0 0 0 0 0 23.7250 -3.2370 0.5840 C 0 0 2 0 0 0 0 0 0 0 0 0 24.9170 -3.4240 1.5420 C 0 0 2 0 0 0 0 0 0 0 0 0 25.9510 -4.3410 0.8420 C 0 0 2 0 0 0 0 0 0 0 0 0 24.1740 -2.7760 -0.8080 C 0 0 1 0 0 0 0 0 0 0 0 0 26.3360 -3.7650 -0.5230 C 0 0 1 0 0 0 0 0 0 0 0 0 27.3510 -4.5760 -1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4610 -2.7560 1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1580 -4.2270 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 8 7 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 4 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 820138 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 -2.0860 -3.0320 2.7650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -2.8480 4.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 -1.1870 3.9630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2790 -3.9900 0.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8260 -2.3980 5.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 -4.9280 1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -4.4450 2.3610 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -3.5300 2.7420 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3610 -3.3440 4.2500 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7260 -2.3800 4.6380 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1330 -3.9740 2.3050 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0750 -2.8870 4.1850 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2110 -1.9500 4.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 -4.1220 1.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 -2.7070 1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 8 7 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 4 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 820166 OpenBabel12061010053D 13 12 0 0 0 0 0 0 0 0999 V2000 21.7360 29.2320 35.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2610 26.6480 34.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9750 26.2830 36.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8220 28.9590 38.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7830 31.0100 38.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5520 29.4270 36.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8220 30.7290 37.8970 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6480 28.2320 36.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3470 26.9640 35.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1270 27.8750 36.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4270 28.9080 37.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0350 28.8600 37.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0450 30.2980 38.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 9 2 0 0 0 0 3 9 1 0 0 0 0 4 12 2 0 0 0 0 5 13 2 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 M END $$$$ 820169 OpenBabel12061010053D 12 11 0 0 0 0 0 0 0 0999 V2000 39.4180 55.5870 15.5670 P 0 0 0 0 0 0 0 0 0 0 0 0 38.4510 54.8420 16.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 39.1800 54.9020 14.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 39.0060 57.0130 15.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 40.7660 55.3400 16.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 36.4150 53.4480 14.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 37.7140 52.7790 18.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 34.5420 52.2770 18.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 36.3730 53.6450 16.3180 C 0 0 2 0 0 0 0 0 0 0 0 0 37.0350 54.9570 16.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8270 52.6130 17.3610 C 0 0 2 0 0 0 0 0 0 0 0 0 35.5730 51.7920 17.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 10 1 0 0 0 0 8 12 2 0 0 0 0 9 6 1 6 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 7 1 1 0 0 0 11 12 1 0 0 0 0 M END $$$$ 820182 OpenBabel12061010053D 8 7 0 0 0 0 0 0 0 0999 V2000 25.0520 38.8170 11.3920 S 0 0 0 0 0 0 0 0 0 0 0 0 22.9480 41.6750 14.4370 S 0 0 0 0 0 0 0 0 0 0 0 0 22.8200 40.7990 10.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9500 39.4830 12.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1720 40.2410 11.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7990 40.4980 12.5860 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3510 38.8310 10.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1630 41.7010 12.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 3 5 2 0 0 0 0 5 7 1 0 0 0 0 6 5 1 6 0 0 0 6 4 1 0 0 0 0 6 8 1 0 0 0 0 M END $$$$ 820220 OpenBabel12061010053D 24 26 0 0 0 0 0 0 0 0999 V2000 17.8090 12.2910 10.8430 P 0 0 0 0 0 0 0 0 0 0 0 0 21.1970 9.4940 8.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4230 11.3360 9.6730 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4060 12.3780 7.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2350 4.2610 11.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4430 11.3360 11.8990 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9340 13.1800 11.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6660 12.9340 10.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4720 10.2340 11.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2910 8.2980 9.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4960 6.2040 9.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 20.4610 8.1420 11.4070 N 0 0 0 0 0 0 0 0 0 0 0 0 20.3040 5.9510 12.3140 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5340 7.5520 13.4210 N 0 0 0 0 0 0 0 0 0 0 0 0 19.7630 9.6140 8.6920 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7430 10.7410 9.6750 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7070 7.6400 10.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8260 11.6820 9.0930 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2320 6.3680 10.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9120 10.7320 8.6420 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5590 7.3640 8.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5420 5.4390 11.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7530 7.2430 12.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9820 10.5980 9.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 15 1 0 0 0 0 2 20 1 0 0 0 0 5 22 2 0 0 0 0 9 24 1 0 0 0 0 10 17 1 0 0 0 0 10 21 1 0 0 0 0 11 19 1 0 0 0 0 11 21 2 0 0 0 0 12 17 1 0 0 0 0 12 23 2 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 23 1 0 0 0 0 15 10 1 1 0 0 0 15 16 1 0 0 0 0 16 3 1 6 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 18 4 1 6 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 20 24 1 1 0 0 0 M END $$$$ 820238 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 -33.3680 12.6280 -5.7750 O 0 0 0 0 0 0 0 0 0 0 0 0 -31.6770 8.9750 -4.9930 O 0 0 0 0 0 0 0 0 0 0 0 0 -32.2780 9.7320 -7.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 -35.4090 11.4060 -7.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 -31.7630 10.7770 -1.6150 O 0 0 0 0 0 0 0 0 0 0 0 0 -30.7180 11.3140 -3.5360 N 0 0 0 0 0 0 0 0 0 0 0 0 -32.7510 13.5780 -3.7160 N 0 0 0 0 0 0 0 0 0 0 0 0 -31.9330 11.2880 -4.3400 C 0 0 2 0 0 0 0 0 0 0 0 0 -31.6900 10.3000 -5.5020 C 0 0 2 0 0 0 0 0 0 0 0 0 -32.7520 10.3990 -6.6050 C 0 0 1 0 0 0 0 0 0 0 0 0 -32.2980 12.7130 -4.8410 C 0 0 1 0 0 0 0 0 0 0 0 0 -33.0400 11.8610 -6.9530 C 0 0 1 0 0 0 0 0 0 0 0 0 -34.2340 11.9700 -7.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -30.7350 11.0240 -2.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -29.4050 11.0740 -1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 820263 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 -6.0070 22.5930 19.1590 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7350 22.4520 19.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8390 23.6690 19.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8110 22.7290 17.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3390 16.0340 20.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8670 18.5340 19.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9200 21.0830 19.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1380 19.8790 18.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8890 17.3540 18.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6160 18.4710 20.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6920 16.0400 19.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3190 17.1140 20.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 M END $$$$ 820288 OpenBabel12061010053D 7 6 0 0 0 0 0 0 0 0999 V2000 11.1050 24.2910 24.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2080 25.9790 26.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5550 25.6870 21.4810 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1300 24.8960 25.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2270 24.4580 23.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9560 24.7540 26.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6800 25.3090 22.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 M END $$$$ 820296 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 27.3020 9.3830 9.5480 P 0 0 0 0 0 0 0 0 0 0 0 0 26.5680 7.4520 7.5710 P 0 0 0 0 0 0 0 0 0 0 0 0 28.5520 8.2910 12.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6140 8.1160 10.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3640 8.6370 8.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5870 6.8100 15.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0550 6.4460 14.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4060 10.4020 10.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4270 9.8190 8.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8810 7.9150 6.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5760 6.5120 8.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2140 6.8150 7.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6070 10.2550 13.9390 N 0 0 0 0 0 0 0 0 0 0 0 0 28.0900 12.2370 13.2460 N 0 0 0 0 0 0 0 0 0 0 0 0 29.2350 10.7360 16.2240 N 0 0 0 0 0 0 0 0 0 0 0 0 29.0480 13.0340 16.7660 N 0 0 0 0 0 0 0 0 0 0 0 0 28.3290 14.6730 15.2550 N 0 0 0 0 0 0 0 0 0 0 0 0 28.8180 8.7480 13.9320 C 0 0 1 0 0 0 0 0 0 0 0 0 28.8090 11.0650 15.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8720 8.0120 14.9040 C 0 0 1 0 0 0 0 0 0 0 0 0 27.4130 7.3270 12.6400 C 0 0 1 0 0 0 0 0 0 0 0 0 26.6930 7.6460 13.9370 C 0 0 1 0 0 0 0 0 0 0 0 0 28.4890 12.3020 14.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1810 11.0010 12.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6810 7.6200 11.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6200 13.3590 15.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3250 11.7810 17.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 1 0 0 0 0 15 27 2 0 0 0 0 16 26 2 0 0 0 0 16 27 1 0 0 0 0 17 26 1 0 0 0 0 18 13 1 6 0 0 0 18 20 1 0 0 0 0 19 23 2 0 0 0 0 20 6 1 6 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 6 0 0 0 22 7 1 1 0 0 0 23 26 1 0 0 0 0 M END $$$$ 820298 OpenBabel12061010053D 10 10 0 0 0 0 0 0 0 0999 V2000 0.0890 4.8260 31.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2030 5.1850 30.9310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 -1.2860 31.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 2.8720 31.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 4.4100 31.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7860 2.3220 30.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 2.0090 31.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 0.0590 31.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9830 0.9150 30.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 0.6340 31.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 2 5 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 M END $$$$ 820301 OpenBabel12061010053D 13 12 0 0 0 0 0 0 0 0999 V2000 70.8050 35.8300 76.7050 O 0 0 0 0 0 0 0 0 0 0 0 0 71.1670 33.0550 74.6120 O 0 0 0 0 0 0 0 0 0 0 0 0 69.5190 33.8120 75.8060 O 0 0 0 0 0 0 0 0 0 0 0 0 72.7890 36.1360 78.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 72.2380 38.1330 74.9440 O 0 0 0 0 0 0 0 0 0 0 0 0 74.0990 34.5130 78.7110 O 0 0 0 0 0 0 0 0 0 0 0 0 74.1950 37.2910 75.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 71.6800 35.0090 75.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 70.7310 33.9080 75.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 72.7770 34.3330 76.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 72.2900 35.7910 74.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 73.2380 35.0420 77.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 72.9590 37.1220 75.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 9 2 0 0 0 0 3 9 1 0 0 0 0 4 12 2 0 0 0 0 5 13 2 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 M END $$$$ 820306 OpenBabel12061010053D 21 21 0 0 0 0 0 0 0 0999 V2000 45.1570 -8.7600 -4.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 45.0990 -7.8770 -2.6170 O 0 0 0 0 0 0 0 0 0 0 0 0 43.3720 -12.3400 -3.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 47.1340 -9.9610 -6.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 42.7930 -7.1710 -4.9030 O 0 0 0 0 0 0 0 0 0 0 0 0 41.9170 -8.2500 -3.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 44.5900 -8.0740 -8.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 44.3160 -14.2370 -7.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 46.5410 -8.9840 -9.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 44.2280 -12.1770 -6.1110 N 0 0 0 0 0 0 0 0 0 0 0 0 44.3260 -8.6260 -3.5990 C 0 0 2 0 0 0 0 0 0 0 0 0 44.7660 -9.7370 -5.8500 C 0 0 2 0 0 0 0 0 0 0 0 0 44.6360 -11.1300 -5.1580 C 0 0 1 0 0 0 0 0 0 0 0 0 43.5980 -11.0550 -4.0250 C 0 0 2 0 0 0 0 0 0 0 0 0 44.1290 -10.0550 -2.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 45.8490 -9.6960 -6.9860 C 0 0 1 0 0 0 0 0 0 0 0 0 42.9110 -7.9290 -3.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 45.8370 -8.3150 -7.7270 C 0 0 1 0 0 0 0 0 0 0 0 0 44.7570 -13.4280 -6.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 46.9170 -8.1750 -8.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 45.9310 -13.8290 -5.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 5 17 2 0 0 0 0 6 17 1 0 0 0 0 8 19 2 0 0 0 0 9 20 1 0 0 0 0 10 19 1 0 0 0 0 11 2 1 1 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 12 1 1 1 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 10 1 6 0 0 0 13 14 1 0 0 0 0 14 3 1 1 0 0 0 14 15 1 0 0 0 0 16 4 1 1 0 0 0 16 18 1 0 0 0 0 18 7 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 M END $$$$ 820316 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 35.4050 116.7860 37.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 32.7060 114.8800 39.8930 O 0 0 0 0 0 0 0 0 0 0 0 0 33.9360 114.2340 37.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 32.6250 117.7390 39.5750 O 0 0 0 0 0 0 0 0 0 0 0 0 34.2350 118.7910 37.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 37.6110 113.8900 37.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 33.8350 115.6670 39.4630 C 0 0 1 0 0 0 0 0 0 0 0 0 34.7640 114.7850 38.5910 C 0 0 2 0 0 0 0 0 0 0 0 0 33.3650 116.9200 38.6920 C 0 0 2 0 0 0 0 0 0 0 0 0 35.9300 115.6280 38.0110 C 0 0 1 0 0 0 0 0 0 0 0 0 34.6150 117.6650 38.1540 C 0 0 1 0 0 0 0 0 0 0 0 0 36.8180 114.8550 37.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 820332 OpenBabel12061010053D 9 8 0 0 0 0 0 0 0 0999 V2000 150.8600 25.6740 16.1590 P 0 0 0 0 0 0 0 0 0 0 0 0 152.1300 25.9790 18.7630 P 0 0 0 0 0 0 0 0 0 0 0 0 152.0370 25.3880 17.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 151.1170 24.8960 14.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 152.4340 24.8570 19.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 149.5570 25.3110 16.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 150.9490 27.1880 15.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 153.1900 27.0310 18.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 150.7630 26.5550 19.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 M END $$$$ 820343 OpenBabel12061010053D 32 36 0 0 0 0 0 0 0 0999 V2000 20.3370 -16.4640 25.5410 N 0 0 0 0 0 0 0 0 0 0 0 0 18.8740 -12.5480 20.5970 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7700 -13.3400 21.5380 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4750 -17.0930 26.5830 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1590 -11.9130 19.6140 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1660 -12.6960 23.8330 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8220 -10.7080 24.4120 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0790 -13.5120 21.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8250 -13.9730 22.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8880 -15.4060 26.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4540 -12.5170 20.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0350 -15.4790 23.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1420 -15.7810 26.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3530 -17.4090 25.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8040 -14.9650 23.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0630 -16.5280 24.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3090 -14.0480 22.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2700 -15.0170 23.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3720 -14.0790 26.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6070 -11.5930 19.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8680 -14.8260 27.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8580 -11.7950 19.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1070 -13.1520 27.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3250 -13.5240 27.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2740 -18.8190 25.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1190 -11.9070 20.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2200 -12.9870 20.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0120 -10.7810 21.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0760 -11.8050 22.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2170 -12.9390 21.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0120 -10.7270 22.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0710 -11.7550 23.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 2 22 1 0 0 0 0 3 9 1 0 0 0 0 3 11 2 0 0 0 0 4 13 1 0 0 0 0 4 14 2 0 0 0 0 5 20 1 0 0 0 0 5 26 1 0 0 0 0 6 32 2 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 17 1 0 0 0 0 9 15 1 0 0 0 0 10 13 2 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 13 21 1 0 0 0 0 14 25 1 0 0 0 0 17 18 2 0 0 0 0 19 23 2 0 0 0 0 21 24 2 0 0 0 0 23 24 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 30 1 0 0 0 0 28 31 2 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 M END $$$$ 820349 OpenBabel12061010053D 17 17 0 0 0 0 0 0 0 0999 V2000 43.6110 -0.9890 29.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 39.3260 -3.2390 32.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 41.1040 -1.9010 32.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 41.8770 -3.0520 30.3920 N 0 0 0 0 0 0 0 0 0 0 0 0 44.1020 -4.9690 24.7190 N 0 0 0 0 0 0 0 0 0 0 0 0 44.7990 -2.9900 23.7840 N 0 0 0 0 0 0 0 0 0 0 0 0 43.0600 -2.9080 28.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 44.1090 -2.9930 26.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 43.7190 -1.7020 28.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 43.2650 -3.5420 27.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 42.1610 -3.5280 29.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 44.7500 -1.7990 26.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 44.5580 -1.1660 27.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 44.3420 -3.6710 24.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 40.9480 -3.8090 31.2180 C 0 0 2 0 0 0 0 0 0 0 0 0 40.3970 -2.9300 32.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 41.6450 -5.0310 31.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 16 2 0 0 0 0 3 16 1 0 0 0 0 4 11 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 9 13 2 0 0 0 0 12 13 1 0 0 0 0 15 4 1 1 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 M END $$$$ 820383 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 22.8430 4.7350 -9.6110 P 0 0 0 0 0 0 0 0 0 0 0 0 23.7980 5.2810 -10.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2600 7.4270 -15.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9760 3.7000 -10.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0590 6.0960 -9.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8130 4.4950 -8.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7010 5.0800 -14.5150 N 0 0 0 0 0 0 0 0 0 0 0 0 22.1170 7.0130 -14.1400 N 0 0 0 0 0 0 0 0 0 0 0 0 25.0310 5.2300 -12.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3960 6.1650 -13.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9590 6.5730 -14.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1070 6.0050 -15.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3370 4.5510 -11.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1790 4.6900 -13.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0400 6.7290 -13.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7360 6.4140 -16.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 M END $$$$ 820384 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 22.6980 4.7280 -9.7910 P 0 0 0 0 0 0 0 0 0 0 0 0 23.3080 4.7170 -11.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3160 7.5720 -15.7860 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7840 4.6850 -8.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7250 3.6140 -9.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9550 6.1020 -9.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7920 5.2640 -14.4460 N 0 0 0 0 0 0 0 0 0 0 0 0 22.0650 7.0680 -14.1990 N 0 0 0 0 0 0 0 0 0 0 0 0 25.0930 5.5630 -12.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4200 6.4280 -13.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9540 6.6980 -14.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1420 6.1090 -15.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5900 5.3010 -11.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2810 4.9930 -13.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0620 7.0190 -13.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7600 6.4160 -16.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 M END $$$$ 820404 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 -37.7700 77.9350 18.3120 S 0 0 0 0 0 0 0 0 0 0 0 0 -37.4950 79.6760 18.4650 O 0 0 0 0 0 0 0 0 0 0 0 0 -36.6220 82.3670 18.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 -34.4350 81.6490 18.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 -35.4570 80.5530 21.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 -39.0090 77.6990 17.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 -36.6310 77.3200 17.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 -37.8950 77.3330 19.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 -37.6160 84.7540 18.4680 O 0 0 0 0 0 0 0 0 0 0 0 0 -38.0620 84.4180 20.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 -36.2980 80.1530 19.0730 C 0 0 1 0 0 0 0 0 0 0 0 0 -35.7070 81.2710 18.2260 C 0 0 1 0 0 0 0 0 0 0 0 0 -36.6060 80.6390 20.4860 C 0 0 2 0 0 0 0 0 0 0 0 0 -37.1010 82.7880 19.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -37.1050 81.9990 20.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -37.6020 84.0210 19.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 3 12 1 0 0 0 0 3 14 1 0 0 0 0 9 16 2 0 0 0 0 10 16 1 0 0 0 0 11 2 1 6 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 4 1 1 0 0 0 13 5 1 6 0 0 0 13 15 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 M END $$$$ 820422 OpenBabel12061010053D 9 8 0 0 0 0 0 0 0 0999 V2000 15.6280 48.0740 14.7270 P 0 0 0 0 0 0 0 0 0 0 0 0 16.4270 48.3810 17.5650 P 0 0 0 0 0 0 0 0 0 0 0 0 15.4870 48.3000 16.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4810 49.1520 14.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7600 49.3370 18.4450 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4160 46.7200 14.5530 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3470 47.7750 14.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5520 47.0210 18.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6660 48.9100 16.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 M END $$$$ 820431 OpenBabel12061010053D 13 13 0 0 0 0 0 0 0 0999 V2000 10.5360 43.9790 18.9960 S 0 0 0 0 0 0 0 0 0 0 0 0 10.8380 41.4370 24.1630 P 0 0 0 0 0 0 0 0 0 0 0 0 11.7810 42.4570 23.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0390 41.6860 25.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4860 41.7090 23.6060 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3710 39.9700 23.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7790 44.6250 18.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9110 44.0820 20.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0270 44.4440 19.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8290 43.7970 21.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9090 42.3950 21.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5080 44.4170 17.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4110 44.6370 19.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 11 1 0 0 0 0 7 9 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 M END $$$$ 820433 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 22.1250 22.9290 44.5300 P 0 0 0 0 0 0 0 0 0 0 0 0 21.3200 21.9370 41.8970 P 0 0 0 0 0 0 0 0 0 0 0 0 20.5520 23.7530 48.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3260 22.6410 45.8460 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1840 22.2880 43.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8120 26.8610 47.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5040 24.6000 47.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3010 24.3150 44.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4200 22.3120 44.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8570 20.5720 41.6050 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7670 22.0760 41.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3680 22.9650 41.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8500 25.7290 48.6400 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9970 26.0480 48.2470 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8400 27.1290 50.6730 N 0 0 0 0 0 0 0 0 0 0 0 0 23.8880 28.0490 51.2410 N 0 0 0 0 0 0 0 0 0 0 0 0 25.7660 27.6620 49.9580 N 0 0 0 0 0 0 0 0 0 0 0 0 20.4090 25.1690 48.4860 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3570 26.5130 49.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5840 25.6870 47.2730 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4860 23.3750 47.2620 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6450 24.5480 47.0560 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7310 26.6950 49.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8700 25.4400 47.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0130 23.0580 45.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4660 27.4860 50.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5930 27.8850 51.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 1 0 0 0 0 15 27 2 0 0 0 0 16 26 2 0 0 0 0 16 27 1 0 0 0 0 17 26 1 0 0 0 0 18 13 1 6 0 0 0 18 20 1 0 0 0 0 19 23 2 0 0 0 0 20 6 1 1 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 6 0 0 0 22 7 1 1 0 0 0 23 26 1 0 0 0 0 M END $$$$ 820434 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 3.8420 81.3370 8.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4310 81.9850 4.6170 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 83.5720 6.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9610 83.1010 10.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 78.6380 6.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1960 79.2770 5.6790 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0730 79.1060 8.4940 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 80.4820 6.4860 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0860 81.5520 5.7980 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3230 82.7630 6.7140 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8290 80.1600 7.8490 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7360 82.3450 8.1330 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6840 83.5150 9.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 78.6460 5.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 77.9300 4.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 820447 OpenBabel12061010053D 7 6 0 0 0 0 0 0 0 0999 V2000 8.6040 31.9060 11.9890 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6640 31.3090 11.6090 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2980 29.8880 11.3850 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8120 31.6840 8.9680 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 32.3330 9.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 31.2310 11.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8150 31.7780 9.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 6 1 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 5 7 1 0 0 0 0 6 7 1 0 0 0 0 M END $$$$ 820506 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 44.4300 -12.2700 32.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 45.3110 -16.3020 33.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 47.3440 -14.3430 33.6870 O 0 0 0 0 0 0 0 0 0 0 0 0 46.4740 -11.5050 31.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 41.7450 -15.7060 31.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 42.6390 -15.4350 33.5400 N 0 0 0 0 0 0 0 0 0 0 0 0 42.1040 -12.6990 32.9420 N 0 0 0 0 0 0 0 0 0 0 0 0 43.6730 -14.5600 33.0210 C 0 0 2 0 0 0 0 0 0 0 0 0 45.0300 -14.9860 33.5530 C 0 0 2 0 0 0 0 0 0 0 0 0 46.1150 -14.0310 33.0510 C 0 0 1 0 0 0 0 0 0 0 0 0 43.4140 -13.1090 33.4040 C 0 0 1 0 0 0 0 0 0 0 0 0 45.7430 -12.5740 33.3550 C 0 0 1 0 0 0 0 0 0 0 0 0 46.7030 -11.5970 32.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 41.7500 -15.9540 32.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 40.6960 -16.8770 33.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 820509 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 83.4900 24.5420 36.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 84.0100 20.5590 37.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 81.9830 22.3050 36.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 86.2770 22.4680 37.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 84.9400 25.2160 38.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 82.7460 25.1450 33.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 84.2880 21.7880 36.3900 C 0 0 1 0 0 0 0 0 0 0 0 0 82.9990 22.3090 35.7840 C 0 0 2 0 0 0 0 0 0 0 0 0 84.9010 22.7630 37.4220 C 0 0 2 0 0 0 0 0 0 0 0 0 83.2770 23.7180 35.3160 C 0 0 1 0 0 0 0 0 0 0 0 0 84.7400 24.2730 37.1200 C 0 0 1 0 0 0 0 0 0 0 0 0 82.1880 24.3460 34.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 820528 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 72.5390 16.9510 -18.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 69.1530 18.6870 -16.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 69.1270 17.6930 -19.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 71.0920 16.6000 -21.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 71.0270 18.8780 -13.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 70.9020 17.1520 -14.7460 N 0 0 0 0 0 0 0 0 0 0 0 0 71.6160 15.2060 -16.7630 N 0 0 0 0 0 0 0 0 0 0 0 0 71.2470 17.5380 -16.1070 C 0 0 2 0 0 0 0 0 0 0 0 0 69.9730 17.6340 -16.9680 C 0 0 2 0 0 0 0 0 0 0 0 0 70.2990 17.8780 -18.4470 C 0 0 1 0 0 0 0 0 0 0 0 0 72.2190 16.5300 -16.7330 C 0 0 2 0 0 0 0 0 0 0 0 0 71.3850 16.9150 -18.9410 C 0 0 1 0 0 0 0 0 0 0 0 0 71.8630 17.2600 -20.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 71.4390 17.7880 -13.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 72.5960 17.1070 -12.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 820594 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 20.0730 -5.5660 57.9230 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7350 -9.7180 58.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0000 -8.5880 55.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4750 -5.3750 55.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4190 -8.9540 61.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4130 -8.1180 60.6200 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2630 -5.2430 60.2690 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9300 -7.5200 59.3860 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2770 -8.4160 58.2010 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7210 -7.7710 56.9330 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5550 -6.1330 59.1540 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3600 -6.3900 56.7690 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8710 -5.6320 55.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6270 -8.7930 61.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3400 -9.3240 62.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 820633 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 8.2670 6.4030 14.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1310 4.2890 12.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8690 7.0070 13.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7480 4.5350 12.7790 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9880 8.1230 12.9770 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8900 7.0640 17.3930 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5320 5.6290 12.5080 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8880 6.0250 13.8940 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1140 5.7780 12.4230 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8350 6.5970 14.9340 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6190 6.8180 13.3280 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6990 6.0900 16.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 1 0 0 0 M END $$$$ 820649 OpenBabel12061010053D 6 5 0 0 0 0 0 0 0 0999 V2000 47.9160 45.9370 11.5460 N 0 3 0 0 0 0 0 0 0 0 0 0 47.5190 46.1830 13.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 46.4810 45.1790 13.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 47.0510 43.8180 13.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 48.2260 46.4600 10.6680 C 0 5 0 0 0 0 0 0 0 0 0 0 45.9790 42.7830 13.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 3 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 6 1 0 0 0 0 M CHG 2 1 1 5 -1 M END $$$$ 820714 OpenBabel12061010053D 32 34 0 0 0 0 0 0 0 0999 V2000 43.6950 23.2770 47.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 45.5270 22.8080 51.2990 N 0 0 0 0 0 0 0 0 0 0 0 0 44.8210 21.8950 49.4590 N 0 3 0 0 0 0 0 0 0 0 0 0 46.6890 18.9750 54.5350 N 0 3 0 0 0 0 0 0 0 0 0 0 45.3400 17.3600 53.7290 N 0 0 0 0 0 0 0 0 0 0 0 0 45.4500 21.5030 51.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 45.0040 20.9340 50.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 45.1390 22.9990 50.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 45.7490 20.7500 52.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 44.9640 24.2310 49.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 44.8280 19.5830 50.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 45.5920 19.3430 52.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 45.1290 18.7840 51.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 44.2630 24.3470 48.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 45.4850 25.4170 49.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 45.8810 18.5380 53.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 44.0940 25.5650 47.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 45.3070 26.6520 49.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 44.6090 26.7210 48.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 45.8270 23.4960 51.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 44.5070 21.8360 48.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 46.0940 21.2220 53.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 44.4810 19.1700 49.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 45.0020 17.7150 51.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 46.0280 25.3820 50.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 43.5530 25.6170 46.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 45.7080 27.5520 49.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 44.4660 27.6630 47.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 47.1090 19.8890 54.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 46.8810 18.4810 55.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 44.7490 17.0300 52.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 45.5220 16.7500 54.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 2 20 1 0 0 0 0 3 7 1 0 0 0 0 3 8 2 0 0 0 0 3 21 1 0 0 0 0 4 16 2 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 16 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 7 11 2 0 0 0 0 8 10 1 0 0 0 0 9 12 1 0 0 0 0 9 22 1 0 0 0 0 10 14 1 0 0 0 0 10 15 2 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 24 1 0 0 0 0 14 17 2 0 0 0 0 15 18 1 0 0 0 0 15 25 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 18 19 2 0 0 0 0 18 27 1 0 0 0 0 19 28 1 0 0 0 0 M CHG 2 3 1 4 1 M END $$$$ 820715 OpenBabel12061010053D 31 33 0 0 0 0 0 0 0 0999 V2000 27.4970 12.3310 22.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6250 13.2340 20.5940 N 0 0 0 0 0 0 0 0 0 0 0 0 29.4470 11.9020 19.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 29.2040 16.7530 15.4610 N 0 3 0 0 0 0 0 0 0 0 0 0 30.4000 14.8940 14.8730 N 0 0 0 0 0 0 0 0 0 0 0 0 28.8260 13.9770 19.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3200 13.1610 18.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9900 12.0450 20.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6350 13.6280 17.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8670 10.9870 21.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4200 15.0010 17.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5970 15.3150 19.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8920 15.8170 18.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1100 11.1450 22.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4510 9.7290 20.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6800 15.5640 15.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9540 10.1070 23.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2910 8.6920 21.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5350 8.8870 23.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2810 13.4580 21.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 30.0230 12.9580 16.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 28.2110 15.9390 20.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 28.7430 16.8710 17.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 30.0470 9.5500 20.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 27.3710 10.2630 24.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 29.7560 7.7310 21.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4160 8.0850 23.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 28.6790 17.2570 16.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3470 17.2110 14.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 30.7940 13.9960 15.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 30.5680 15.1960 13.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 2 20 1 0 0 0 0 3 7 1 0 0 0 0 3 8 2 0 0 0 0 4 16 2 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 16 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 12 2 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 10 14 1 0 0 0 0 10 15 2 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 14 17 2 0 0 0 0 15 18 1 0 0 0 0 15 24 1 0 0 0 0 17 19 1 0 0 0 0 17 25 1 0 0 0 0 18 19 2 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 M CHG 1 4 1 M END $$$$ 820720 OpenBabel12061010053D 32 34 0 0 0 0 0 0 0 0999 V2000 43.5060 0.7530 31.7730 O 0 0 0 0 0 0 0 0 0 0 0 0 43.9980 -0.9590 29.8720 N 0 0 0 0 0 0 0 0 0 0 0 0 44.0210 -5.0060 25.2220 N 0 3 0 0 0 0 0 0 0 0 0 0 44.5200 -3.0820 24.0410 N 0 0 0 0 0 0 0 0 0 0 0 0 43.6510 -2.7360 28.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 44.1110 -1.4680 28.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 43.4830 -1.8500 30.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 43.2410 -2.9900 29.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 43.6540 -3.5290 27.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 43.2410 -1.6490 32.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 44.6090 -0.8900 27.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 44.1610 -2.9700 26.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 44.6360 -1.6440 26.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 43.2500 -0.3580 32.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 42.9790 -2.7530 32.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 44.2310 -3.7060 25.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 43.0020 -0.1930 33.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 42.7360 -2.5920 34.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 42.7430 -1.3140 34.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 42.7820 -3.8900 30.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 44.2200 -0.0460 30.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 43.2790 -4.5300 27.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 44.9720 0.1190 27.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 45.0550 -1.1900 25.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 42.9630 -3.7530 32.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 43.0220 0.7950 34.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 42.5540 -3.4510 34.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 42.5800 -1.1870 35.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 43.8250 -5.4340 26.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 44.0270 -5.6230 24.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 44.6550 -2.0810 24.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 44.6190 -3.5430 23.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 21 1 0 0 0 0 3 16 2 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 16 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 2 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 20 1 0 0 0 0 9 12 1 0 0 0 0 9 22 1 0 0 0 0 10 14 1 0 0 0 0 10 15 2 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 24 1 0 0 0 0 14 17 2 0 0 0 0 15 18 1 0 0 0 0 15 25 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 18 19 2 0 0 0 0 18 27 1 0 0 0 0 19 28 1 0 0 0 0 M CHG 1 3 1 M END $$$$ 820784 OpenBabel12061010053D 12 11 0 0 0 0 0 0 0 0999 V2000 38.8810 75.8490 17.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 38.6240 77.1000 16.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 38.3070 75.9220 18.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1410 77.3210 16.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7800 75.5670 18.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7790 78.3630 15.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3320 75.7070 20.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2590 78.4770 15.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8610 75.4580 20.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7820 79.5530 14.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3750 76.4690 21.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2580 79.7160 14.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 M END $$$$ 820785 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 35.8450 85.5190 -2.8230 S 0 0 0 0 0 0 0 0 0 0 0 0 34.7100 85.1480 -3.8710 O 0 0 0 0 0 0 0 0 0 0 0 0 35.7290 84.4690 -1.6970 O 0 0 0 0 0 0 0 0 0 0 0 0 37.2280 85.6610 -3.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 38.3450 94.4310 3.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 37.2520 88.7130 -0.4180 N 0 0 0 0 0 0 0 0 0 0 0 0 38.1130 90.6710 1.6080 N 0 0 0 0 0 0 0 0 0 0 0 0 35.8470 87.2260 -2.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 37.0750 87.2910 -1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3840 89.0440 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 38.7410 88.7740 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7080 90.5210 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0560 90.1940 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 38.5970 92.1470 1.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 37.8100 93.0470 3.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 M END $$$$ 820802 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 -0.9110 24.2150 53.1570 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 23.6520 52.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 25.1200 52.4520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5970 23.2070 53.9250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 30.2460 61.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 26.6810 56.3620 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 27.9360 58.9830 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 25.2090 54.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 25.8580 55.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 27.9720 56.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 25.8290 57.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 28.7250 57.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 26.6210 58.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 28.6000 60.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 29.9580 60.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 M END $$$$ 820814 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 10.0760 8.2440 38.0060 P 0 0 0 0 0 0 0 0 0 0 0 0 8.6610 6.4860 39.7630 P 0 0 0 0 0 0 0 0 0 0 0 0 9.0030 8.4600 33.7370 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8290 8.2320 36.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1310 6.8890 38.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4840 5.9890 30.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2790 5.2430 33.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4530 9.5810 38.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5880 8.0860 38.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8400 5.9890 40.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6520 5.3750 39.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0620 7.6330 40.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0120 9.1660 31.8130 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4650 10.6280 30.9860 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1330 9.5240 30.2910 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6230 11.3070 28.7210 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6630 12.3400 28.4720 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0340 8.2500 32.3280 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3800 9.7620 30.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 6.8520 31.9930 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1890 7.1810 34.3760 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3780 6.1050 33.3260 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3000 10.6610 30.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2440 9.7060 31.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2580 7.2760 35.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8950 11.4490 29.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8540 10.3400 29.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 18 13 1 1 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 6 1 6 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 6 0 0 0 22 7 1 6 0 0 0 23 26 2 0 0 0 0 M END $$$$ 820839 OpenBabel12061010053D 17 17 0 0 0 0 0 0 0 0999 V2000 -0.5460 17.9130 22.8720 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 16.4060 22.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6800 14.2440 21.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 13.6370 21.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 13.7770 24.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 14.7740 19.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9730 17.9100 23.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 18.5820 21.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 18.4060 24.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 10.7950 22.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9930 12.3450 23.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 15.5310 21.6280 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1670 14.2910 22.1460 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2590 13.2670 22.8610 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9800 15.2040 20.9650 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9950 12.9980 21.9990 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9730 11.9870 22.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 10 17 2 0 0 0 0 11 17 1 0 0 0 0 12 2 1 1 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 4 1 6 0 0 0 13 14 1 0 0 0 0 14 5 1 6 0 0 0 14 16 1 0 0 0 0 15 6 1 1 0 0 0 16 17 1 1 0 0 0 M END $$$$ 820865 OpenBabel12061010053D 23 24 0 0 0 0 0 0 0 0999 V2000 10.3810 40.3050 45.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0130 38.3340 45.9590 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7390 40.1310 47.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9060 38.8470 43.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2370 35.8630 43.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8450 42.8810 45.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1520 39.0410 44.1190 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6330 43.9070 45.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7700 41.9800 45.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2630 36.4700 48.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3940 39.8210 48.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4650 39.2470 44.9440 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9390 38.2560 43.8590 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4940 37.0190 44.5670 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8280 37.1020 45.9370 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7080 40.8390 46.5200 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0430 42.3400 46.3490 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1470 39.9910 44.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3730 42.5430 45.7140 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1230 40.3400 46.5870 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4840 41.8400 46.5500 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8950 36.9780 47.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1870 39.4550 47.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 3 20 1 0 0 0 0 7 18 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 1 1 1 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 4 1 1 0 0 0 13 14 1 0 0 0 0 14 5 1 6 0 0 0 14 15 1 0 0 0 0 15 22 1 6 0 0 0 16 1 1 6 0 0 0 16 17 1 0 0 0 0 17 6 1 6 0 0 0 17 19 1 0 0 0 0 19 8 1 1 0 0 0 19 21 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 1 0 0 0 21 9 1 6 0 0 0 M END $$$$ 820882 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 55.0760 153.5800 25.4550 N 0 0 0 0 0 0 0 0 0 0 0 0 53.8560 155.0930 27.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 54.3000 154.7960 25.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 53.7080 156.4170 27.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 53.5200 154.0650 27.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 53.2310 156.7120 28.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 53.0550 154.3540 29.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 52.9020 155.6770 29.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 54.9490 152.9940 24.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 56.1030 153.0870 26.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 55.8280 151.8020 24.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 56.1340 151.5350 22.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 2 0 0 0 0 6 8 2 0 0 0 0 7 8 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 M END $$$$ 820893 OpenBabel12061010053D 22 24 0 0 0 0 0 0 0 0999 V2000 15.2040 27.2470 -1.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1770 24.6150 0.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6190 23.5660 -0.5120 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3970 26.6660 -0.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1070 30.8920 -1.4090 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0830 26.4830 0.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9620 24.4080 -1.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7950 26.8260 -0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8920 27.7080 -0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3900 25.7840 -1.2350 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0790 25.4290 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5310 24.9580 -0.2840 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4680 27.4130 -0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8650 25.4230 -1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6610 29.0620 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3570 29.5760 -1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2530 28.7680 -0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8110 26.1250 -0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3260 24.3710 -2.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1720 25.7780 -0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6180 24.7110 -1.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6910 24.0030 -2.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 11 2 0 0 0 0 4 13 1 0 0 0 0 5 16 1 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 1 0 0 0 11 12 1 0 0 0 0 12 3 1 6 0 0 0 13 17 2 0 0 0 0 14 18 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 18 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 M END $$$$ 820902 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 -12.1400 -11.8970 -8.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7840 -15.9060 -9.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.4020 -14.6090 -8.8610 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.0220 -12.3050 -6.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2010 -14.4580 -8.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7600 -14.0790 -10.0310 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9890 -11.5200 -8.8190 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.8140 -13.7300 -9.0500 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.0570 -14.5340 -9.3500 C 0 0 2 0 0 0 0 0 0 0 0 0 -13.1800 -14.0080 -8.4300 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.1440 -12.2560 -9.1540 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.3780 -12.4790 -8.5270 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.3880 -11.9750 -7.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5050 -14.4110 -9.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5910 -14.6820 -10.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 820923 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 99.4540 -29.6350 22.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 103.4050 -28.5770 23.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 102.4180 -28.1800 21.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 101.8080 -30.6060 24.6350 O 0 0 0 0 0 0 0 0 0 0 0 0 99.0000 -28.3490 24.7120 O 0 0 0 0 0 0 0 0 0 0 0 0 98.8200 -28.4370 19.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 102.0150 -28.4610 23.5510 C 0 0 1 0 0 0 0 0 0 0 0 0 101.6980 -28.9400 22.1280 C 0 0 1 0 0 0 0 0 0 0 0 0 101.2380 -29.3050 24.5630 C 0 0 1 0 0 0 0 0 0 0 0 0 100.1960 -28.7980 21.8810 C 0 0 1 0 0 0 0 0 0 0 0 0 99.7370 -29.4150 24.2220 C 0 0 2 0 0 0 0 0 0 0 0 0 99.8290 -29.2530 20.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 820935 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 68.2320 -12.0220 47.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 68.8750 -10.6570 43.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 66.9040 -12.5550 44.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 69.3730 -10.1630 48.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 68.1260 -14.6470 47.4760 O 0 0 0 0 0 0 0 0 0 0 0 0 71.7650 -9.2530 46.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 69.5550 -9.0190 46.0970 N 0 0 0 0 0 0 0 0 0 0 0 0 69.2060 -10.4090 46.2920 C 0 0 2 0 0 0 0 0 0 0 0 0 68.2690 -10.8420 45.1760 C 0 0 2 0 0 0 0 0 0 0 0 0 67.8910 -12.3020 45.3490 C 0 0 1 0 0 0 0 0 0 0 0 0 68.5290 -10.6450 47.6430 C 0 0 1 0 0 0 0 0 0 0 0 0 67.3290 -12.4930 46.7570 C 0 0 1 0 0 0 0 0 0 0 0 0 66.9830 -13.9560 47.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 70.8140 -8.5830 46.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 71.0420 -7.1810 45.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 8 7 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 4 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 820976 OpenBabel12061010053D 18 18 0 0 0 0 0 0 0 0999 V2000 11.1140 46.1640 34.7900 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13.8710 46.0000 34.3880 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13.1260 52.9930 33.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1890 47.9910 32.6370 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9610 49.4330 32.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2110 49.3210 34.2610 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8730 52.8840 39.4480 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9820 51.8060 34.3960 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3900 50.5800 33.5190 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7500 51.9950 35.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6230 48.2080 33.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2620 51.8790 35.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0780 52.4010 36.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5710 47.0750 34.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7740 50.6650 32.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2600 52.5500 38.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9750 52.1620 37.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8120 52.6820 38.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 14 1 0 0 0 0 4 11 2 0 0 0 0 5 15 1 0 0 0 0 6 11 1 0 0 0 0 7 16 1 0 0 0 0 8 3 1 6 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 6 1 1 0 0 0 9 15 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M END $$$$ 820991 OpenBabel12061010053D 13 12 0 0 0 0 0 0 0 0999 V2000 30.9970 8.4420 40.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 32.4830 8.6140 39.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 34.0200 9.6850 42.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 29.6730 12.4460 41.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2140 11.3030 40.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 33.6920 10.5550 40.9830 N 0 0 0 0 0 0 0 0 0 0 0 0 32.1710 10.4860 40.7510 C 0 0 2 0 0 0 0 0 0 0 0 0 31.8950 9.2790 40.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6280 11.5720 39.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4860 10.2650 41.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0420 11.5150 39.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3390 11.8360 40.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7770 10.4750 41.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 8 1 0 0 0 0 3 10 2 0 0 0 0 4 12 2 0 0 0 0 5 12 1 0 0 0 0 6 10 1 0 0 0 0 7 6 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 M END $$$$ 821007 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 2.5750 7.8060 -5.3970 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5780 7.8660 -3.9990 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9960 7.2030 -7.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8480 7.2900 -5.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4350 7.6840 -4.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9910 6.8160 -6.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0170 7.9600 -4.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4970 7.1110 -6.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2860 7.0200 -5.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3020 8.1490 -3.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4070 7.5640 -5.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0710 7.4650 -6.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 5 1 0 0 0 0 3 12 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 8 11 2 0 0 0 0 11 12 1 0 0 0 0 M END $$$$ 821029 OpenBabel12061010053D 31 33 0 0 0 0 0 0 0 0999 V2000 66.0870 50.8540 53.9100 P 0 0 0 0 0 0 0 0 0 0 0 0 59.7300 41.7990 49.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 61.2330 45.0270 46.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 62.1650 47.5430 50.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 64.4640 48.6220 49.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 65.7730 50.5360 52.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 65.5950 47.6870 52.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 65.1800 51.9370 54.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 65.8510 49.5500 54.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 67.5180 51.2910 53.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 63.3120 44.8380 50.8160 N 0 3 0 0 0 0 0 0 0 0 0 0 61.5970 42.6370 51.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 62.2280 44.9020 48.6370 N 0 0 0 0 0 0 0 0 0 0 0 0 60.5090 43.4140 48.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 62.4020 44.3730 49.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 63.3950 44.2010 52.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 61.5300 43.2650 50.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 62.5040 43.0900 52.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 60.5300 42.7340 49.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 64.2820 44.6480 53.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 64.1150 45.9100 50.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 62.5260 42.4450 53.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 61.3280 44.4980 47.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 64.3090 44.0200 54.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 63.4280 42.9090 54.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 63.4110 47.2440 50.8470 C 0 0 1 0 0 0 0 0 0 0 0 0 64.3190 48.4850 50.7860 C 0 0 1 0 0 0 0 0 0 0 0 0 65.6690 48.2410 51.5770 C 0 0 1 0 0 0 0 0 0 0 0 0 65.2910 44.5360 55.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 63.4840 42.2130 56.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 66.4630 49.5480 51.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 19 2 0 0 0 0 3 23 2 0 0 0 0 6 31 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 19 1 0 0 0 0 14 23 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 17 19 1 0 0 0 0 18 22 2 0 0 0 0 20 24 1 0 0 0 0 22 25 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 26 21 1 6 0 0 0 26 4 1 0 0 0 0 26 27 1 0 0 0 0 27 5 1 6 0 0 0 27 28 1 0 0 0 0 28 7 1 1 0 0 0 28 31 1 0 0 0 0 M CHG 1 11 1 M END $$$$ 821112 OpenBabel12061010053D 13 13 0 0 0 0 0 0 0 0999 V2000 82.8560 33.1340 9.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 84.4360 35.2060 12.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 84.1170 34.9900 10.6870 O 0 0 0 0 0 0 0 0 0 0 0 0 80.5280 30.8180 14.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 81.7640 32.3590 15.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 83.8230 34.5900 11.7930 N 0 0 0 0 0 0 0 0 0 0 0 0 81.3150 31.7260 14.6230 N 0 0 0 0 0 0 0 0 0 0 0 0 82.9560 33.5200 11.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 81.6600 32.0970 13.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 82.5030 32.8680 10.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 82.5500 33.1160 13.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 81.2230 31.4190 12.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 81.6140 31.8160 10.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 6 2 0 0 0 0 3 6 2 0 0 0 0 4 7 2 0 0 0 0 5 7 2 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 10 13 2 0 0 0 0 12 13 1 0 0 0 0 M END $$$$ 821113 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 -23.2980 -0.6650 -10.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 -25.1900 0.8880 -14.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 -26.4680 1.0490 -11.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 -24.4890 -1.6740 -8.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 -21.2570 -1.1330 -14.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 -22.3090 0.7440 -14.1450 N 0 0 0 0 0 0 0 0 0 0 0 0 -21.2110 -0.7850 -11.9840 N 0 0 0 0 0 0 0 0 0 0 0 0 -23.1660 0.0860 -13.1730 C 0 0 2 0 0 0 0 0 0 0 0 0 -24.4650 0.8750 -12.9910 C 0 0 2 0 0 0 0 0 0 0 0 0 -25.3230 0.2410 -11.8870 C 0 0 1 0 0 0 0 0 0 0 0 0 -22.4430 -0.0370 -11.8240 C 0 0 1 0 0 0 0 0 0 0 0 0 -24.5000 0.0970 -10.6020 C 0 0 1 0 0 0 0 0 0 0 0 0 -25.2630 -0.6200 -9.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.6380 0.0140 -15.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.3540 0.6480 -16.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 821119 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 81.5590 35.7400 -7.5350 F 0 0 0 0 0 0 0 0 0 0 0 0 78.1020 36.4250 -8.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 81.5500 38.3050 -7.6980 O 0 0 0 0 0 0 0 0 0 0 0 0 78.8490 39.5690 -6.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 79.9290 36.4310 -9.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 76.7310 38.6610 -9.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 80.4150 37.7520 -7.0070 C 0 0 2 0 0 0 0 0 0 0 0 0 80.3180 36.2470 -7.2150 C 0 0 1 0 0 0 0 0 0 0 0 0 79.1520 38.4590 -7.5130 C 0 0 1 0 0 0 0 0 0 0 0 0 77.9520 37.5200 -7.3610 C 0 0 1 0 0 0 0 0 0 0 0 0 79.3970 35.8880 -8.3760 C 0 0 1 0 0 0 0 0 0 0 0 0 76.6370 38.2020 -7.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 6 12 1 0 0 0 0 7 3 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 1 1 6 0 0 0 8 11 1 0 0 0 0 9 4 1 1 0 0 0 9 10 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 1 0 0 0 M END $$$$ 821135 OpenBabel12061010053D 31 33 0 0 0 0 0 0 0 0999 V2000 11.1400 45.0700 29.4440 P 0 0 0 0 0 0 0 0 0 0 0 0 13.8940 54.5090 22.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1490 51.6320 23.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1230 49.7840 26.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9960 47.1920 26.8200 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5810 45.3210 28.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3140 46.7030 26.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1300 45.9640 28.7920 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8430 43.5880 29.3430 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3290 45.4530 30.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7720 49.9930 24.1700 N 0 3 0 0 0 0 0 0 0 0 0 0 11.8800 52.4900 23.2250 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0480 50.7860 24.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5010 53.0390 23.4000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7340 50.9860 23.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3500 50.2080 24.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2030 52.2790 23.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9630 51.5000 23.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1970 53.3680 23.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3540 49.2610 24.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2430 48.6990 24.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5190 51.8470 23.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9680 51.7710 23.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9720 49.4780 24.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5640 50.8390 23.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2360 48.7970 26.2670 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5810 47.4730 26.9890 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7220 46.3060 26.5960 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0430 48.4800 24.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0730 51.1460 23.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9320 45.0680 27.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 19 2 0 0 0 0 3 23 2 0 0 0 0 6 31 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 19 1 0 0 0 0 14 23 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 17 19 1 0 0 0 0 18 22 2 0 0 0 0 20 24 1 0 0 0 0 22 25 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 26 21 1 6 0 0 0 26 4 1 0 0 0 0 26 27 1 0 0 0 0 27 5 1 6 0 0 0 27 28 1 0 0 0 0 28 7 1 1 0 0 0 28 31 1 0 0 0 0 M CHG 1 11 1 M END $$$$ 821155 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 12.4370 12.5930 -4.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8360 11.3240 -0.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5500 14.0310 -1.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0710 9.4890 -2.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7080 11.0880 -4.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5150 15.4280 -4.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3120 11.8150 -2.0350 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9250 13.1820 -2.4830 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6590 10.7460 -3.1010 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3360 13.5720 -3.7550 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1700 11.1730 -4.4780 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6840 14.6940 -4.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 1 0 0 0 M END $$$$ 821198 OpenBabel12061010053D 7 6 0 0 0 0 0 0 0 0999 V2000 23.1520 31.0110 49.3490 S 0 0 0 0 0 0 0 0 0 0 0 0 23.1940 30.3010 48.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4750 31.0100 49.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2350 30.1490 50.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0480 33.9510 50.7300 N 0 0 0 0 0 0 0 0 0 0 0 0 22.5400 32.6730 49.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4230 33.5000 50.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 6 7 1 0 0 0 0 M END $$$$ 821207 OpenBabel12061010053D 10 10 0 0 0 0 0 0 0 0999 V2000 60.1720 17.1290 34.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 58.0400 15.0380 36.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 56.7940 17.6870 35.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 58.8200 18.7560 33.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 62.0550 15.5590 37.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 58.6810 16.2980 36.4520 C 0 0 2 0 0 0 0 0 0 0 0 0 57.9550 17.0470 35.3700 C 0 0 2 0 0 0 0 0 0 0 0 0 60.1170 16.1950 35.9290 C 0 0 2 0 0 0 0 0 0 0 0 0 59.0600 18.0100 35.0050 C 0 0 1 0 0 0 0 0 0 0 0 0 61.1440 16.6310 36.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 5 10 1 0 0 0 0 6 2 1 6 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 3 1 1 0 0 0 7 9 1 0 0 0 0 8 10 1 1 0 0 0 9 4 1 6 0 0 0 M END $$$$ 821220 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 12.2560 -7.3610 10.3190 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8170 -8.6920 10.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0150 -8.0570 14.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5930 -8.6840 13.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1490 -8.6330 11.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8140 -5.6490 10.9060 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2810 -8.4670 12.7910 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2790 -7.7770 11.8690 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7250 -8.0790 12.4610 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7840 -7.7440 10.4180 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0190 -8.4890 11.0290 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1610 -6.3630 9.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 6 12 1 0 0 0 0 7 3 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 5 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 1 1 6 0 0 0 M END $$$$ 821321 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 15.8120 34.8120 2.9500 P 0 0 0 0 0 0 0 0 0 0 0 0 15.9130 33.1920 3.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6660 27.8290 5.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2070 35.2520 2.9960 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9320 35.2800 4.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1400 35.0780 1.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7150 28.9300 1.9340 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9390 31.4200 6.4140 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9840 30.9290 3.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6520 30.1070 4.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8900 28.7040 4.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4530 28.0730 3.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7270 32.4580 3.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5100 30.3260 1.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0900 30.6940 5.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7650 26.6080 2.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 M END $$$$ 821410 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 -0.2160 14.5640 67.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 10.5000 66.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 12.4720 64.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 15.3760 64.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 11.2300 69.4640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 11.3360 68.6690 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 14.0760 69.0830 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 12.2670 67.6100 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6170 11.8280 66.7970 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7690 12.7860 65.6150 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3100 13.6560 68.1570 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8470 14.2480 66.1050 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6570 15.1850 64.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 10.7770 69.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 9.5240 70.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 821414 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 -0.0830 14.8000 66.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 10.7930 66.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 12.5170 64.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 16.1550 64.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 10.1160 68.8990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 12.2100 68.7770 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 14.6660 68.2270 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 12.7150 67.4410 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0620 12.1850 66.4840 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0290 12.9060 65.1380 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0500 14.2530 67.4890 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0590 14.4130 65.3710 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0690 15.2230 64.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 10.9090 69.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 10.4110 69.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 821425 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 -3.0960 2.7700 55.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8150 2.1010 57.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4230 1.5360 54.9660 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6350 1.0590 57.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7190 3.6370 53.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 2.5920 60.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4740 2.0590 59.3810 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4530 2.5400 58.0070 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5320 1.8150 57.1940 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4780 2.2670 55.7330 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0610 2.3780 57.3520 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0680 2.0330 55.1790 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9240 2.4890 53.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3540 1.7710 60.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 0.3510 60.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 8 7 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 4 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 821436 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 24.4520 113.0150 80.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6430 114.3370 79.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4820 115.8510 81.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6940 112.3660 77.7140 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8250 110.9990 79.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8720 114.0000 81.7950 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0100 114.1800 79.2130 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6660 114.5310 80.5240 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2970 112.7220 78.9290 C 0 0 2 0 0 0 0 0 0 0 0 0 24.1340 114.3840 80.2790 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7830 112.3880 78.9140 C 0 0 1 0 0 0 0 0 0 0 0 0 24.7900 114.8740 81.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 821458 OpenBabel12061010053D 9 8 0 0 0 0 0 0 0 0999 V2000 17.7020 4.6930 6.0220 P 0 0 0 0 0 0 0 0 0 0 0 0 15.7840 4.7610 3.8410 P 0 0 0 0 0 0 0 0 0 0 0 0 17.0240 4.1980 4.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7660 4.5260 7.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9510 5.6330 4.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9410 3.8780 6.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0590 6.1230 5.9230 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2680 5.5940 2.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9440 3.5950 3.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 M END $$$$ 821489 OpenBabel12061010053D 21 22 0 0 0 0 0 0 0 0999 V2000 36.0220 6.3160 36.8170 P 0 0 0 0 0 0 0 0 0 0 0 0 37.2520 2.9010 39.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 36.4260 5.2750 37.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 39.5970 4.1250 41.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 37.7630 -0.5930 40.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 36.6270 -2.7040 36.7920 O 0 0 0 0 0 0 0 0 0 0 0 0 35.5160 5.7520 35.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 34.9110 7.1750 37.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 37.2290 7.1550 36.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 37.8170 0.6540 38.8260 N 0 0 0 0 0 0 0 0 0 0 0 0 37.1650 -1.6100 38.7610 N 0 0 0 0 0 0 0 0 0 0 0 0 38.1590 1.8220 39.6500 C 0 0 1 0 0 0 0 0 0 0 0 0 37.9010 4.1780 39.3610 C 0 0 1 0 0 0 0 0 0 0 0 0 39.3730 3.9040 39.6570 C 0 0 2 0 0 0 0 0 0 0 0 0 39.5160 2.4330 39.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 37.5920 -0.5240 39.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6080 0.7550 37.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 37.2070 -0.3680 36.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 37.7760 4.8370 37.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 36.9920 -1.5800 37.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 37.0080 -0.2080 35.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 19 1 0 0 0 0 5 16 2 0 0 0 0 6 20 2 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 16 1 0 0 0 0 11 20 1 0 0 0 0 12 10 1 6 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 6 0 0 0 14 4 1 1 0 0 0 14 15 1 0 0 0 0 17 18 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 M END $$$$ 821502 OpenBabel12061010053D 31 33 0 0 0 0 0 0 0 0999 V2000 27.8610 12.2620 28.9020 P 0 0 0 0 0 0 0 0 0 0 0 0 22.2380 5.4550 21.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8500 6.4310 24.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8880 7.6910 26.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3930 9.8140 28.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3330 11.7950 29.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3640 11.0920 26.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3750 12.0240 27.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9680 13.6960 29.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5380 11.3210 29.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4260 9.1730 23.7000 N 0 3 0 0 0 0 0 0 0 0 0 0 23.8990 7.6510 21.3980 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5280 7.8520 24.1730 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0590 5.9380 22.8010 N 0 0 0 0 0 0 0 0 0 0 0 0 22.5750 8.1260 23.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4830 9.5520 22.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9120 7.3100 22.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6760 8.6890 21.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0860 6.1510 22.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3710 10.6280 23.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3640 9.7270 25.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7970 9.0030 20.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7600 6.7560 23.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5030 10.8760 22.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6450 10.0450 21.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3370 8.9910 25.9820 C 0 0 1 0 0 0 0 0 0 0 0 0 24.6000 9.8070 27.2740 C 0 0 1 0 0 0 0 0 0 0 0 0 25.1210 11.2030 26.9900 C 0 0 1 0 0 0 0 0 0 0 0 0 27.4610 11.9580 22.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8570 10.3210 20.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2770 12.1940 28.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 19 2 0 0 0 0 3 23 2 0 0 0 0 6 31 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 19 1 0 0 0 0 14 23 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 17 19 1 0 0 0 0 18 22 2 0 0 0 0 20 24 1 0 0 0 0 22 25 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 26 21 1 1 0 0 0 26 4 1 0 0 0 0 26 27 1 0 0 0 0 27 5 1 6 0 0 0 27 28 1 0 0 0 0 28 7 1 1 0 0 0 28 31 1 0 0 0 0 M CHG 1 11 1 M END $$$$ 821516 OpenBabel12061010053D 8 7 0 0 0 0 0 0 0 0999 V2000 4.4130 18.2220 54.7230 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4920 15.7480 50.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9200 16.7880 54.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 16.3630 50.8200 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 17.2080 54.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 15.8710 50.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7820 16.3500 53.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2520 15.4860 52.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 2 6 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 8 1 0 0 0 0 M END $$$$ 821540 OpenBabel12061010053D 25 26 0 0 0 0 0 0 0 0999 V2000 15.3850 85.1770 71.0320 P 0 0 0 0 0 0 0 0 0 0 0 0 12.8190 86.1340 70.8700 P 0 0 0 0 0 0 0 0 0 0 0 0 17.3630 89.2480 69.7140 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9860 86.5710 70.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8870 84.9900 70.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4460 90.5130 71.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0480 90.1830 72.6360 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2500 84.0410 70.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3850 85.2220 72.5320 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4960 92.2220 68.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6660 85.4880 71.5770 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4320 87.1570 71.7800 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2700 86.8560 69.5410 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3210 89.9780 68.4720 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2810 91.0470 66.5290 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0640 89.8930 64.9960 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1310 90.0550 69.7120 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5100 88.4900 70.9470 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3520 89.5290 70.9500 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4570 89.0770 71.9160 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3570 86.9450 70.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0760 91.1120 67.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8050 88.7860 68.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7840 89.9460 66.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0640 88.7220 66.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 11 2 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 21 1 0 0 0 0 10 22 2 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 15 22 1 0 0 0 0 15 24 2 0 0 0 0 16 24 1 0 0 0 0 17 14 1 6 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 6 0 0 0 19 6 1 1 0 0 0 19 20 1 0 0 0 0 20 7 1 6 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 M END $$$$ 821560 OpenBabel12061010053D 14 14 0 0 0 0 0 0 0 0999 V2000 114.5090 48.6540 -26.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 112.3340 45.2420 -27.4650 O 0 0 0 0 0 0 0 0 0 0 0 0 112.5130 47.4730 -29.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 112.4840 50.1710 -28.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 113.3520 45.2220 -23.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 114.4520 45.1470 -25.4710 N 0 0 0 0 0 0 0 0 0 0 0 0 113.3770 46.2360 -27.3990 C 0 0 1 0 0 0 0 0 0 0 0 0 112.9580 47.5760 -27.9370 C 0 0 1 0 0 0 0 0 0 0 0 0 113.8140 46.3740 -25.9650 C 0 0 2 0 0 0 0 0 0 0 0 0 114.1190 48.5900 -27.8010 C 0 0 1 0 0 0 0 0 0 0 0 0 114.8830 47.4190 -25.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 113.8300 50.0260 -28.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 114.1620 44.6950 -24.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 114.9340 43.4510 -23.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 2 0 0 0 0 6 13 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 6 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 13 14 1 0 0 0 0 M END $$$$ 821574 OpenBabel12061010053D 14 14 0 0 0 0 0 0 0 0999 V2000 115.8090 49.3260 -26.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 113.8470 45.7300 -27.5750 O 0 0 0 0 0 0 0 0 0 0 0 0 113.9480 47.8880 -29.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 113.7860 50.4150 -29.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 114.3860 45.7560 -23.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 115.9070 45.8610 -25.5900 N 0 0 0 0 0 0 0 0 0 0 0 0 114.8480 46.7720 -27.5790 C 0 0 1 0 0 0 0 0 0 0 0 0 114.3780 48.0560 -28.2000 C 0 0 1 0 0 0 0 0 0 0 0 0 115.2440 47.0360 -26.1520 C 0 0 2 0 0 0 0 0 0 0 0 0 115.4610 49.1520 -28.0510 C 0 0 1 0 0 0 0 0 0 0 0 0 116.2590 48.1360 -26.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 115.0740 50.5040 -28.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 115.3900 45.3400 -24.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 116.1850 44.1580 -24.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 2 0 0 0 0 6 13 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 6 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 13 14 1 0 0 0 0 M END $$$$ 821627 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 45.3350 71.9500 -5.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 42.0270 71.3700 -8.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 42.1550 73.4050 -6.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 42.9780 70.7350 -3.6340 O 0 0 0 0 0 0 0 0 0 0 0 0 42.1810 68.7190 -8.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 44.1940 69.7400 -8.5290 N 0 0 0 0 0 0 0 0 0 0 0 0 46.1270 69.6570 -6.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 44.0070 70.3700 -7.2280 C 0 0 2 0 0 0 0 0 0 0 0 0 43.1980 71.6340 -7.4180 C 0 0 2 0 0 0 0 0 0 0 0 0 42.8230 72.1560 -6.0560 C 0 0 1 0 0 0 0 0 0 0 0 0 45.3660 70.7650 -6.6200 C 0 0 1 0 0 0 0 0 0 0 0 0 44.0580 72.3340 -5.1510 C 0 0 1 0 0 0 0 0 0 0 0 0 43.9910 71.7220 -3.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 43.2350 68.9760 -9.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 43.4930 68.3690 -10.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 821636 OpenBabel12061010053D 14 14 0 0 0 0 0 0 0 0999 V2000 34.6730 18.1730 7.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 32.1730 15.6610 -2.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 33.8140 16.1030 7.1930 N 0 0 0 0 0 0 0 0 0 0 0 0 34.1150 16.8490 -1.9630 N 0 0 0 0 0 0 0 0 0 0 0 0 34.0490 17.2290 5.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7210 17.0890 2.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6120 16.0520 4.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3170 18.3220 4.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1980 17.2330 6.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4500 15.9820 3.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1320 18.2660 2.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 33.5770 17.0840 0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1870 16.0730 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0850 16.1940 -1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 14 2 0 0 0 0 3 9 1 0 0 0 0 4 14 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 M END $$$$ 821701 OpenBabel12061010053D 21 21 0 0 0 0 0 0 0 0999 V2000 14.6750 -9.1850 7.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3570 -11.1020 10.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0650 -8.4340 9.9270 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9300 -9.1210 11.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7670 -7.0980 7.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8550 -11.1800 6.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3450 -10.2810 9.7370 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3480 -8.9390 10.4440 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6120 -10.1050 8.2480 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3990 -7.9750 9.7550 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7100 -7.8940 8.2700 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4840 -11.3970 7.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3620 -10.7580 9.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3610 -8.5050 10.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6310 -9.7150 8.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4960 -6.9660 10.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7170 -7.4740 8.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4460 -11.7510 7.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1360 -12.1520 7.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1970 -11.2080 11.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9910 -9.3290 9.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 20 1 0 0 0 0 3 10 1 0 0 0 0 3 21 1 0 0 0 0 4 8 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 1 0 0 0 8 10 1 0 0 0 0 8 14 1 6 0 0 0 9 12 1 0 0 0 0 9 15 1 6 0 0 0 10 11 1 0 0 0 0 10 16 1 1 0 0 0 11 17 1 6 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$ 821765 OpenBabel12061010053D 9 8 0 0 0 0 0 0 0 0999 V2000 17.9020 9.3750 68.0070 P 0 0 0 0 0 0 0 0 0 0 0 0 17.9890 9.5590 66.5320 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5900 9.7180 68.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6170 8.1890 68.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3610 14.3610 68.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7310 13.0290 70.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0130 10.7150 68.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6110 12.1000 68.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2850 13.2390 68.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 5 9 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 M END $$$$ 821793 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 7.0670 38.5410 25.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4530 37.6460 23.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3970 35.7170 23.7920 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1220 35.8520 25.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8480 41.1950 25.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6770 40.3890 23.8020 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6730 40.8180 25.8850 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1020 39.3130 24.5940 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1230 38.0180 23.7830 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4270 36.9020 24.5550 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6650 39.6600 25.0110 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0080 37.3280 24.9130 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3230 36.2450 25.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5240 41.2540 24.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0830 42.3400 23.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 821796 OpenBabel12061010053D 24 26 0 0 0 0 0 0 0 0999 V2000 -7.1930 10.4490 26.9540 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.0760 8.8760 27.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8510 5.9850 25.6970 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 8.2860 24.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8090 9.7550 27.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 4.6390 32.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1620 11.3810 25.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1610 9.3470 26.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3660 11.0790 28.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 7.1040 28.7120 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5590 6.4750 30.5900 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 5.7880 29.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 4.5250 31.1250 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3990 4.4260 29.7420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2530 7.7190 27.3440 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6000 6.2500 29.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 6.8140 26.2670 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2730 5.9290 30.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4200 7.7030 25.2320 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9400 8.8120 26.0930 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6240 7.1390 29.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 5.0110 31.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 4.8920 29.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3600 8.6040 26.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 15 1 0 0 0 0 2 20 1 0 0 0 0 5 24 1 0 0 0 0 6 22 2 0 0 0 0 10 16 1 0 0 0 0 10 21 1 0 0 0 0 11 18 1 0 0 0 0 11 21 2 0 0 0 0 12 16 1 0 0 0 0 12 23 2 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 23 1 0 0 0 0 15 10 1 1 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 17 3 1 6 0 0 0 17 19 1 0 0 0 0 18 22 1 0 0 0 0 19 4 1 1 0 0 0 19 20 1 0 0 0 0 20 24 1 1 0 0 0 M END $$$$ 821797 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 17.5350 21.0760 11.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9930 18.8360 10.8140 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6460 17.7020 11.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1090 19.4360 12.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4370 22.9620 9.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6140 21.0300 9.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4570 22.8020 9.7650 N 0 0 0 0 0 0 0 0 0 0 0 0 19.7850 20.8160 10.1990 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7110 19.3290 10.5100 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7630 19.0860 11.6820 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3850 21.3750 9.9630 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3860 19.6800 11.3750 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4500 19.5240 12.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3860 22.1100 8.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2220 22.2570 7.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 821799 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 40.4190 27.8400 18.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 41.4120 30.4680 15.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 40.7630 31.4720 17.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 42.0730 27.7570 14.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 41.1530 25.9960 17.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 39.8600 29.2310 20.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 41.4900 29.6590 16.3470 C 0 0 1 0 0 0 0 0 0 0 0 0 40.4970 30.1310 17.4060 C 0 0 1 0 0 0 0 0 0 0 0 0 41.2070 28.2040 16.0130 C 0 0 2 0 0 0 0 0 0 0 0 0 40.5760 29.2290 18.6520 C 0 0 1 0 0 0 0 0 0 0 0 0 41.3580 27.3670 17.2900 C 0 0 1 0 0 0 0 0 0 0 0 0 39.4730 29.5860 19.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 821819 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 18.7700 30.8540 28.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8330 32.4650 30.8410 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0040 31.3250 27.5520 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8390 31.8290 29.8950 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0470 30.7350 30.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6220 31.3020 28.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2050 32.5300 29.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5530 31.1180 31.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6600 30.0450 30.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4160 30.3340 29.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 6 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 M END $$$$ 821838 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 14.0640 13.7200 6.9340 P 0 0 0 0 0 0 0 0 0 0 0 0 14.5950 14.3730 9.6300 P 0 0 0 0 0 0 0 0 0 0 0 0 11.6700 15.0100 4.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4560 13.8050 6.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3660 14.6040 8.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4300 12.2580 3.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5760 14.5760 4.7480 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7230 14.2510 5.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3690 12.2480 7.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9180 13.6700 9.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6160 15.7110 10.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4440 13.5430 10.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4040 13.2340 2.8770 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2390 11.9160 2.7730 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3970 14.0920 0.5780 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2580 13.2080 -0.7250 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8310 11.7340 0.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2220 13.9010 3.4400 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8950 13.3470 1.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4090 13.0240 4.4010 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8640 15.1420 5.4060 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7820 14.0640 5.3210 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0270 12.5310 1.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2560 12.3640 3.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7700 15.0780 6.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7320 12.4720 0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1450 13.9560 -0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 18 13 1 1 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 6 1 6 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 1 0 0 0 22 7 1 6 0 0 0 23 26 2 0 0 0 0 M END $$$$ 821867 OpenBabel12061010053D 13 12 0 0 0 0 0 0 0 0999 V2000 25.4160 0.6480 20.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7110 -0.2730 20.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6390 -1.1080 19.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2630 4.2950 20.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9200 0.5870 24.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2020 3.7470 19.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0830 -1.0570 23.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8130 0.9290 21.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4960 -0.1920 20.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0830 2.1170 19.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2980 1.3300 22.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4260 3.4740 20.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0970 0.2820 23.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 9 2 0 0 0 0 3 9 1 0 0 0 0 4 12 2 0 0 0 0 5 13 2 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 M END $$$$ 821869 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 8.5790 32.0410 109.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2530 28.8610 109.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6870 28.6250 108.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1310 31.5280 109.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8760 31.5480 112.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2500 31.5820 109.9140 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2650 33.5510 110.5150 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8570 31.2140 110.0730 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5220 29.9930 109.1950 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0170 29.7000 109.2550 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9680 32.4040 109.6780 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2560 30.9590 108.8450 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7480 30.7900 108.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1230 31.3410 110.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4770 30.7810 110.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 821899 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 1.1870 61.8210 -4.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 60.6590 -1.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 59.3680 -4.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 63.8400 -2.9760 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 60.8050 -6.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6330 65.5090 -2.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 63.3680 -1.6660 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 62.7890 -2.9510 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5520 61.4420 -3.1870 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8980 60.6590 -4.3560 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6930 62.5800 -2.8840 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6200 60.5080 -4.1230 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3270 59.8670 -5.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 64.6470 -1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 64.9850 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 8 7 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 4 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 821933 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 33.7930 5.6530 26.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 36.8400 7.7720 24.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 35.7070 5.4160 23.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 35.9070 7.4800 27.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 32.7290 7.3830 25.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 35.3370 3.2430 26.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 35.5120 7.2890 25.1180 C 0 0 1 0 0 0 0 0 0 0 0 0 35.5110 5.7600 24.9930 C 0 0 1 0 0 0 0 0 0 0 0 0 34.9550 7.7600 26.4610 C 0 0 1 0 0 0 0 0 0 0 0 0 34.1810 5.1430 25.4580 C 0 0 1 0 0 0 0 0 0 0 0 0 33.6150 7.0730 26.7360 C 0 0 2 0 0 0 0 0 0 0 0 0 34.2580 3.6340 25.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 6 0 0 0 M END $$$$ 821940 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 33.6730 5.6200 26.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 36.7140 7.7460 24.9770 O 0 0 0 0 0 0 0 0 0 0 0 0 35.5940 5.4080 23.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 35.7740 7.4390 27.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 32.5920 7.3500 25.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 35.2470 3.2050 26.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 35.3850 7.2650 25.1220 C 0 0 1 0 0 0 0 0 0 0 0 0 35.3920 5.7380 24.9940 C 0 0 1 0 0 0 0 0 0 0 0 0 34.8220 7.7290 26.4620 C 0 0 1 0 0 0 0 0 0 0 0 0 34.0610 5.1210 25.4480 C 0 0 1 0 0 0 0 0 0 0 0 0 33.4820 7.0380 26.7390 C 0 0 2 0 0 0 0 0 0 0 0 0 34.1290 3.6140 25.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 6 0 0 0 M END $$$$ 821961 OpenBabel12061010053D 19 19 0 0 0 0 0 0 0 0999 V2000 21.5070 24.8200 52.8250 S 0 0 0 0 0 0 0 0 0 0 0 0 22.2010 25.7330 51.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3570 27.4810 50.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1800 27.4750 50.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4510 28.1660 48.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5040 24.1040 53.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6700 23.8880 52.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7070 25.6000 53.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3430 25.4450 53.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4080 26.6180 47.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6250 28.4260 48.6550 N 0 0 0 0 0 0 0 0 0 0 0 0 22.2390 27.1340 52.1810 C 0 0 2 0 0 0 0 0 0 0 0 0 21.5620 27.8650 51.0120 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3020 27.6770 49.6950 C 0 0 2 0 0 0 0 0 0 0 0 0 23.7080 27.6080 52.2580 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7050 28.2390 49.9320 C 0 0 1 0 0 0 0 0 0 0 0 0 24.5590 26.8530 53.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1730 27.8090 47.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3410 28.5790 46.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 9 17 1 0 0 0 0 10 18 2 0 0 0 0 11 18 1 0 0 0 0 12 2 1 6 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 4 1 6 0 0 0 13 14 1 0 0 0 0 14 11 1 1 0 0 0 14 16 1 0 0 0 0 15 17 1 6 0 0 0 16 5 1 6 0 0 0 18 19 1 0 0 0 0 M END $$$$ 822007 OpenBabel12061010053D 14 15 0 0 0 0 0 0 0 0999 V2000 -5.5860 64.0010 8.9670 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6030 66.0330 10.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3010 68.3230 7.3920 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4830 68.3930 7.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7400 65.9970 10.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4390 65.6240 8.1540 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5780 66.4750 8.9650 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8060 65.5580 9.9600 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6020 67.2650 8.0290 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3690 67.8080 8.7740 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6630 66.6670 9.5380 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.0380 64.4300 8.0570 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4400 67.1200 10.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6950 63.3340 7.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 11 1 0 0 0 0 5 13 1 0 0 0 0 6 12 1 0 0 0 0 7 6 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 2 1 6 0 0 0 8 1 1 0 0 0 0 9 3 1 1 0 0 0 9 10 1 0 0 0 0 10 4 1 6 0 0 0 10 11 1 0 0 0 0 11 13 1 1 0 0 0 12 14 1 1 0 0 0 M END $$$$ 822028 OpenBabel12061010053D 9 8 0 0 0 0 0 0 0 0999 V2000 40.5320 22.2290 -7.9660 O 0 0 0 0 0 0 0 0 0 0 0 0 39.8790 21.6520 -10.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 38.3350 21.3750 -6.6440 N 0 0 0 0 0 0 0 0 0 0 0 0 36.0370 25.6340 -8.5570 N 0 0 0 0 0 0 0 0 0 0 0 0 38.3260 21.1860 -8.1300 C 0 0 2 0 0 0 0 0 0 0 0 0 39.6380 21.7120 -8.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1650 21.9990 -8.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1180 23.4270 -8.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 36.0610 24.2220 -8.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 6 1 0 0 0 0 4 9 1 0 0 0 0 5 3 1 1 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 M END $$$$ 822079 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 85.9720 57.5680 48.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 84.4220 53.7120 48.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 85.6720 54.9730 51.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 83.6230 55.3080 46.6600 O 0 0 0 0 0 0 0 0 0 0 0 0 83.7400 57.7590 48.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 87.2060 58.9580 50.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 84.5470 55.1180 48.8600 C 0 0 1 0 0 0 0 0 0 0 0 0 85.7660 55.5110 49.6880 C 0 0 1 0 0 0 0 0 0 0 0 0 84.7280 55.6760 47.4650 C 0 0 2 0 0 0 0 0 0 0 0 0 85.8420 57.0440 49.7310 C 0 0 1 0 0 0 0 0 0 0 0 0 84.8720 57.2080 47.5410 C 0 0 2 0 0 0 0 0 0 0 0 0 87.0310 57.5570 50.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 1 0 0 0 M END $$$$ 822111 OpenBabel12061010053D 13 12 0 0 0 0 0 0 0 0999 V2000 79.7610 41.2990 150.7480 O 0 0 0 0 0 0 0 0 0 0 0 0 79.7380 43.1330 152.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 77.8480 42.4440 153.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 80.7210 38.7060 152.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 74.8240 41.1590 150.9440 O 0 0 0 0 0 0 0 0 0 0 0 0 80.5170 39.6930 153.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 75.9900 40.2500 152.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 78.6350 41.1930 151.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 78.7520 42.3260 152.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 78.6890 39.8170 152.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 77.3300 41.2840 150.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 80.1510 39.3280 152.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 75.9480 40.9090 151.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 9 2 0 0 0 0 3 9 1 0 0 0 0 4 12 2 0 0 0 0 5 13 2 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 M END $$$$ 822116 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 19.0440 7.2350 8.5600 P 0 0 0 0 0 0 0 0 0 0 0 0 21.2800 7.8310 6.8150 P 0 0 0 0 0 0 0 0 0 0 0 0 19.3960 3.6580 12.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9020 5.8070 9.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4930 7.1370 7.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2220 4.2760 13.6730 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4160 3.3030 10.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9520 8.2790 9.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9860 7.2780 7.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6900 8.0520 7.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5450 9.1280 6.4540 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1110 6.8470 5.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3220 3.9340 14.4250 N 0 0 0 0 0 0 0 0 0 0 0 0 20.4060 3.5950 16.3880 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1130 6.2170 14.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5200 6.9450 15.8520 N 0 0 0 0 0 0 0 0 0 0 0 0 22.1150 5.6180 17.6630 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5800 3.5690 13.2440 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0040 5.1030 14.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4060 4.5250 12.9390 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6910 4.1900 11.0150 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2540 4.4070 11.4350 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6000 4.8360 15.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6520 3.1090 15.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3950 5.4950 10.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3960 5.7880 16.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8710 7.1020 14.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 1 0 0 0 0 15 27 2 0 0 0 0 16 26 2 0 0 0 0 16 27 1 0 0 0 0 17 26 1 0 0 0 0 18 13 1 6 0 0 0 18 20 1 0 0 0 0 19 23 2 0 0 0 0 20 6 1 6 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 1 0 0 0 22 7 1 1 0 0 0 23 26 1 0 0 0 0 M END $$$$ 822119 OpenBabel12061010053D 11 11 0 0 0 0 0 0 0 0999 V2000 21.7530 5.8550 21.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0970 4.9910 16.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7290 4.0320 21.8010 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3330 3.9010 15.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3740 5.2160 20.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3160 4.2890 20.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5240 4.7740 18.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9710 5.4770 19.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8820 3.5980 19.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4820 3.8510 18.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0280 6.7480 22.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 3 6 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 9 10 2 0 0 0 0 M END $$$$ 822151 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 31.3710 -28.7330 -70.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 32.4790 -31.8880 -68.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 28.9930 -30.2400 -68.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 33.4970 -28.9130 -68.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 30.8060 -30.2220 -67.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 34.7450 -30.0930 -69.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 31.1460 -30.0860 -69.9330 C 0 0 1 0 0 0 0 0 0 0 0 0 32.5210 -30.8270 -69.7140 C 0 0 1 0 0 0 0 0 0 0 0 0 30.2160 -30.1980 -68.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6430 -29.8360 -69.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 3 9 2 0 0 0 0 4 10 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 1 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 2 1 1 0 0 0 8 10 1 0 0 0 0 M END $$$$ 822153 OpenBabel12061010053D 21 22 0 0 0 0 0 0 0 0999 V2000 1.9850 3.9380 13.7690 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 0.1350 16.6900 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 5.0710 16.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 1.5550 17.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 3.9760 16.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 7.1030 12.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9130 8.2270 12.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 -0.1660 16.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 -0.8230 17.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 0.0970 15.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 5.9780 14.2700 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 7.5520 12.6890 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 5.4120 15.1190 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0770 3.7320 16.7940 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1250 3.4210 15.9010 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4450 5.5260 14.5340 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3210 6.8890 13.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6920 4.1580 14.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 6.5040 14.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 7.4750 13.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 2.8090 16.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 2 8 2 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 21 1 0 0 0 0 6 17 2 0 0 0 0 7 20 2 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 17 1 0 0 0 0 12 20 1 0 0 0 0 13 11 1 6 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 6 0 0 0 15 5 1 1 0 0 0 15 18 1 0 0 0 0 16 1 1 6 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 M END $$$$ 822158 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 5.7690 -30.9580 15.2860 P 0 0 0 0 0 0 0 0 0 0 0 0 4.9920 -33.3620 13.8470 P 0 0 0 0 0 0 0 0 0 0 0 0 6.2420 -28.7180 11.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7940 -30.1040 13.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8270 -32.2360 14.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8690 -27.6590 9.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8840 -28.7940 10.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1310 -30.2010 16.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1710 -31.4440 15.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5780 -33.7360 13.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7880 -34.5260 14.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7560 -32.6370 12.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4580 -30.0520 10.3170 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6560 -31.7880 10.8280 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8360 -29.9610 7.9180 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2740 -31.6900 7.1440 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2270 -33.3120 8.5290 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5260 -28.8400 10.5010 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9950 -30.4750 9.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1710 -28.9690 9.7550 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7640 -28.7560 12.1490 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1700 -29.3850 10.9020 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7410 -31.5620 9.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8880 -30.8650 11.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5520 -29.5480 13.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4320 -32.2080 8.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5100 -30.6270 6.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 18 13 1 1 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 6 1 1 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 6 0 0 0 22 7 1 6 0 0 0 23 26 2 0 0 0 0 M END $$$$ 822165 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 30.5680 16.1940 15.0200 P 0 0 0 0 0 0 0 0 0 0 0 0 29.9580 18.1790 12.9300 P 0 0 0 0 0 0 0 0 0 0 0 0 29.8120 13.6750 11.7550 O 0 0 0 0 0 0 0 0 0 0 0 0 30.4400 14.9790 13.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 30.8260 17.5060 14.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 31.1420 12.0390 9.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 33.1850 13.3380 10.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 31.7390 16.0060 15.9060 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2310 16.3390 15.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4950 17.7910 13.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 30.5900 17.6130 11.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 30.2010 19.6760 13.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6800 14.7110 9.9130 N 0 0 0 0 0 0 0 0 0 0 0 0 27.4610 16.5020 10.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 28.6460 14.3690 7.4950 N 0 0 0 0 0 0 0 0 0 0 0 0 27.3710 16.0280 6.3480 N 0 0 0 0 0 0 0 0 0 0 0 0 26.2670 17.7940 7.4280 N 0 0 0 0 0 0 0 0 0 0 0 0 29.5410 13.5290 10.3550 C 0 0 1 0 0 0 0 0 0 0 0 0 28.3290 15.0120 8.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9000 13.4440 9.6120 C 0 0 1 0 0 0 0 0 0 0 0 0 31.2910 13.6800 12.0100 C 0 0 1 0 0 0 0 0 0 0 0 0 31.9200 14.0290 10.6660 C 0 0 1 0 0 0 0 0 0 0 0 0 27.5660 16.1320 8.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1380 15.6230 10.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5900 14.6680 13.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0550 16.6700 7.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1270 14.9440 6.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 18 13 1 1 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 6 1 1 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 6 0 0 0 22 7 1 1 0 0 0 23 26 2 0 0 0 0 M END $$$$ 822175 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 36.4740 83.4990 110.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 35.7660 79.4190 111.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 33.5410 81.1950 111.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 38.3010 80.3340 110.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 38.7210 83.1340 110.6440 O 0 0 0 0 0 0 0 0 0 0 0 0 32.8510 83.8870 110.7020 O 0 0 0 0 0 0 0 0 0 0 0 0 35.9290 80.6740 110.7180 C 0 0 1 0 0 0 0 0 0 0 0 0 34.8970 81.6710 111.2470 C 0 0 1 0 0 0 0 0 0 0 0 0 37.3340 81.2160 110.9750 C 0 0 2 0 0 0 0 0 0 0 0 0 35.1250 83.0460 110.5920 C 0 0 1 0 0 0 0 0 0 0 0 0 37.4760 82.6050 110.3430 C 0 0 1 0 0 0 0 0 0 0 0 0 34.1890 84.1240 111.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 822176 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 28.0040 81.1520 83.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 31.4340 78.9770 82.3570 O 0 0 0 0 0 0 0 0 0 0 0 0 31.2660 80.6250 84.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7950 83.2110 84.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2950 78.5350 79.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8600 77.9540 81.5130 N 0 0 0 0 0 0 0 0 0 0 0 0 26.6730 79.7120 81.7820 N 0 0 0 0 0 0 0 0 0 0 0 0 29.0720 79.3010 82.0040 C 0 0 2 0 0 0 0 0 0 0 0 0 30.2220 79.3210 83.0130 C 0 0 2 0 0 0 0 0 0 0 0 0 30.3640 80.7100 83.6610 C 0 0 1 0 0 0 0 0 0 0 0 0 27.8080 79.8080 82.6820 C 0 0 1 0 0 0 0 0 0 0 0 0 29.0060 81.2460 84.1560 C 0 0 1 0 0 0 0 0 0 0 0 0 29.0790 82.7060 84.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9890 77.6850 80.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7430 76.2500 79.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 822178 OpenBabel12061010053D 23 25 0 0 0 0 0 0 0 0999 V2000 21.8080 45.5000 74.7790 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3080 43.7280 83.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3710 44.3470 83.6060 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1600 46.7490 76.0530 N 0 0 0 0 0 0 0 0 0 0 0 0 25.5590 43.7870 74.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 26.5970 45.4240 75.5300 N 0 0 0 0 0 0 0 0 0 0 0 0 23.1630 43.8380 73.8050 N 0 0 0 0 0 0 0 0 0 0 0 0 24.6340 48.4320 78.6820 N 0 0 0 0 0 0 0 0 0 0 0 0 24.5580 42.1990 72.8750 N 0 0 0 0 0 0 0 0 0 0 0 0 24.1800 45.6050 75.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4400 44.9230 74.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0550 44.9870 74.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3580 47.2420 76.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4090 43.3100 73.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5840 46.5620 76.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4120 48.4880 77.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8860 47.5340 79.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1730 45.5480 81.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1790 47.3440 80.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7770 46.7420 80.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3110 46.3540 81.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9090 45.7560 81.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2920 44.5000 82.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 23 2 0 0 0 0 3 23 1 0 0 0 0 4 10 1 0 0 0 0 4 13 2 0 0 0 0 5 11 1 0 0 0 0 5 14 2 0 0 0 0 6 11 1 0 0 0 0 6 15 2 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 M END $$$$ 822180 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 37.0290 81.0370 110.5590 O 0 0 0 0 0 0 0 0 0 0 0 0 34.7520 77.5550 110.9570 O 0 0 0 0 0 0 0 0 0 0 0 0 33.5120 79.9010 109.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 37.5900 77.4120 110.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 38.9290 79.9120 111.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 34.2190 82.7190 109.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 35.5400 78.5780 110.3610 C 0 0 1 0 0 0 0 0 0 0 0 0 34.8440 79.9310 110.5120 C 0 0 1 0 0 0 0 0 0 0 0 0 36.9020 78.6500 111.0540 C 0 0 2 0 0 0 0 0 0 0 0 0 35.7410 81.0300 109.8980 C 0 0 1 0 0 0 0 0 0 0 0 0 37.7300 79.7880 110.4420 C 0 0 1 0 0 0 0 0 0 0 0 0 35.1820 82.4400 110.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 822195 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 31.1000 19.3190 57.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 32.4110 21.9450 60.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 31.6670 19.3180 61.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 33.1580 22.3130 58.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 33.1820 19.8260 57.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3050 17.8740 59.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 32.4580 20.9190 59.8860 C 0 0 1 0 0 0 0 0 0 0 0 0 31.4150 19.8710 60.2380 C 0 0 1 0 0 0 0 0 0 0 0 0 32.1340 21.4550 58.4940 C 0 0 2 0 0 0 0 0 0 0 0 0 31.5240 18.7530 59.2220 C 0 0 1 0 0 0 0 0 0 0 0 0 31.9660 20.3500 57.4460 C 0 0 2 0 0 0 0 0 0 0 0 0 30.6480 17.5650 59.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 822211 OpenBabel12061010053D 25 26 0 0 0 0 0 0 0 0999 V2000 16.5410 74.8030 54.5410 P 0 0 0 0 0 0 0 0 0 0 0 0 18.2040 75.0110 52.2000 P 0 0 0 0 0 0 0 0 0 0 0 0 20.0840 74.7400 57.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9740 74.5830 55.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1070 75.5310 53.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0720 72.2490 55.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5420 74.9530 56.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7220 75.7300 55.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8140 73.5800 54.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0800 72.0350 59.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3710 74.5000 52.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2190 76.2310 51.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6060 73.7990 51.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8220 70.4240 60.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4880 72.6120 58.1110 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9400 71.2030 59.8730 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5230 73.4020 57.4160 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2140 75.3990 56.2120 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9290 73.1300 55.9930 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2660 74.5530 55.5370 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9400 75.6390 55.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9090 71.9310 59.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1700 72.5440 57.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6000 71.1010 59.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2660 71.8380 58.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 11 2 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 21 1 0 0 0 0 10 22 2 0 0 0 0 14 24 2 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 22 1 0 0 0 0 16 24 1 0 0 0 0 17 15 1 6 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 6 0 0 0 19 6 1 1 0 0 0 19 20 1 0 0 0 0 20 7 1 1 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 M END $$$$ 822214 OpenBabel12061010053D 5 4 0 0 0 0 0 0 0 0999 V2000 20.6800 24.8160 13.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3710 24.6250 12.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4540 24.6840 14.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4760 24.0650 10.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6700 25.0040 15.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 M END $$$$ 822218 OpenBabel12061010053D 28 29 0 0 0 0 0 0 0 0999 V2000 3.2930 49.0340 52.6110 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 47.6230 51.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5890 49.9090 52.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5510 47.4730 62.3700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 50.4150 53.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 48.5890 53.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4570 49.9780 47.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 49.9510 51.8400 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0200 48.7910 54.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6670 48.4110 57.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5960 47.5480 54.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2620 49.8260 55.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5690 48.2330 58.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 47.3610 56.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0860 49.6380 56.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 49.4910 51.4860 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5550 46.9250 58.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 49.3000 59.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 49.5440 52.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 50.4450 50.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 47.7350 61.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 46.6790 60.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 49.0600 60.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 50.4290 49.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 50.4140 49.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9470 48.4090 63.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5170 50.3600 48.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7380 50.0940 46.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 4 21 1 0 0 0 0 4 26 1 0 0 0 0 5 19 2 0 0 0 0 6 19 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 16 8 1 1 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 17 22 1 0 0 0 0 18 23 2 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 3 0 0 0 0 25 27 1 0 0 0 0 M END $$$$ 822226 OpenBabel12061010053D 11 10 0 0 0 0 0 0 0 0999 V2000 58.5160 30.5620 47.9020 P 0 0 0 0 0 0 0 0 0 0 0 0 59.3890 30.1140 49.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 59.0820 30.3640 46.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 60.3210 33.2500 48.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 59.7840 32.5900 43.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 61.3370 32.8440 45.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 58.1730 32.3730 48.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 59.3320 33.1300 47.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 59.2020 33.6480 46.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 57.0410 29.9020 47.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 60.1510 32.9620 45.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 4 8 2 0 0 0 0 5 11 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 M END $$$$ 822237 OpenBabel12061010053D 47 49 0 0 0 0 0 0 0 0999 V2000 -6.8810 -10.0670 -5.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3020 -9.5380 -7.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4300 -9.3430 -3.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7980 -11.0900 -5.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2760 -6.8400 -9.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9400 -6.6550 -10.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3390 -7.7090 -6.2630 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.7460 -7.4990 -7.1860 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1110 -7.1700 -8.4560 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6040 -6.7370 -10.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9790 -9.2080 -5.2020 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.7280 -7.8140 -5.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2690 -9.7790 -5.7880 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.4680 -9.1040 -5.1250 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2640 -7.9270 -5.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0920 -7.3830 -7.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9530 -7.8150 -5.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4710 -8.2550 -4.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7600 -7.2820 -8.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7600 -9.6780 -5.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3730 -8.4700 -3.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8580 -8.0310 -5.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 -8.3610 -3.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5270 -6.9510 -9.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5960 -8.8310 -1.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 -8.5970 -2.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8970 -6.8540 -9.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0780 -9.1380 -4.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4130 -7.6360 -6.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8950 -7.0680 -5.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3070 -10.8520 -5.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4300 -8.0340 -5.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4710 -8.3400 -3.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6140 -9.2110 -5.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8000 -9.4770 -6.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8530 -7.9470 -5.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1120 -10.9890 -5.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7510 -10.1890 -7.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1070 -8.5550 -3.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2830 -8.0030 -1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0120 -9.7150 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6510 -9.0360 -1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 -8.4530 -1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 -7.8960 -3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 -9.6160 -2.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4420 -6.4930 -11.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7130 -11.4090 -5.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 37 1 0 0 0 0 2 13 1 0 0 0 0 2 38 1 0 0 0 0 3 14 1 0 0 0 0 3 39 1 0 0 0 0 4 20 1 0 0 0 0 4 47 1 0 0 0 0 5 24 2 0 0 0 0 6 27 2 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 7 16 2 0 0 0 0 8 17 1 0 0 0 0 8 19 2 0 0 0 0 9 16 1 0 0 0 0 9 27 1 0 0 0 0 10 24 1 0 0 0 0 10 27 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 1 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 1 0 0 0 14 20 1 0 0 0 0 14 32 1 6 0 0 0 15 17 1 0 0 0 0 15 18 2 0 0 0 0 16 19 1 0 0 0 0 17 22 2 0 0 0 0 18 21 1 0 0 0 0 18 33 1 0 0 0 0 19 24 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 26 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 M CHG 1 7 1 M END $$$$ 822240 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 54.4300 129.8710 111.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 55.1870 131.1690 115.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 53.5320 131.9730 113.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 57.2790 130.0310 113.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 56.6720 129.5460 111.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 51.5080 131.2640 111.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 54.9280 130.2830 114.2350 C 0 0 1 0 0 0 0 0 0 0 0 0 53.5660 130.6060 113.5990 C 0 0 2 0 0 0 0 0 0 0 0 0 56.0290 130.4080 113.1850 C 0 0 2 0 0 0 0 0 0 0 0 0 53.3370 129.7140 112.3640 C 0 0 1 0 0 0 0 0 0 0 0 0 55.6850 129.4900 112.0110 C 0 0 1 0 0 0 0 0 0 0 0 0 52.0540 130.0090 111.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 822246 OpenBabel12061010053D 14 13 0 0 0 0 0 0 0 0999 V2000 2.6840 42.5990 55.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 41.0820 56.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 41.9990 55.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 42.4010 55.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 41.7090 54.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 42.2850 54.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 43.4580 53.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8880 43.3660 52.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1900 43.9380 52.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3520 43.0340 52.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3940 43.0600 53.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6720 42.3880 53.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7270 43.4140 52.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0340 43.3790 51.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 M END $$$$ 822272 OpenBabel12061010053D 9 9 0 0 0 0 0 0 0 0999 V2000 42.1780 -58.0630 1.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 42.0990 -54.6200 0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 43.0070 -53.9860 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 41.8260 -53.9950 1.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 41.6640 -56.0420 0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 43.7520 -52.8680 0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 42.3420 -52.7130 2.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 43.4920 -52.3140 1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 41.4670 -56.8250 1.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 5 9 1 0 0 0 0 6 8 2 0 0 0 0 7 8 1 0 0 0 0 M END $$$$ 822310 OpenBabel12061010053D 7 6 0 0 0 0 0 0 0 0999 V2000 24.6580 3.2790 15.9910 S 0 0 0 0 0 0 0 0 0 0 0 0 24.6320 0.3120 18.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4340 -0.2570 16.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2150 -0.4770 15.3190 N 0 0 0 0 0 0 0 0 0 0 0 0 25.6140 0.6760 16.0660 C 0 0 2 0 0 0 0 0 0 0 0 0 24.4720 0.2000 16.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0520 1.7430 15.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 6 2 0 0 0 0 3 6 1 0 0 0 0 5 4 1 6 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 M END $$$$ 822314 OpenBabel12061010053D 19 19 0 0 0 0 0 0 0 0999 V2000 61.0620 13.6610 16.7080 P 0 0 0 0 0 0 0 0 0 0 0 0 64.9350 11.6190 15.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 62.5970 13.0390 16.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 62.2060 9.5220 14.5920 O 0 0 0 0 0 0 0 0 0 0 0 0 64.4740 8.2560 13.4090 O 0 0 0 0 0 0 0 0 0 0 0 0 65.8190 12.1230 13.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 61.3030 15.1000 16.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 60.2500 13.0530 15.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 60.4110 13.2230 18.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 67.4860 7.7640 14.7040 O 0 0 0 0 0 0 0 0 0 0 0 0 66.9860 9.5880 13.4580 N 0 0 0 0 0 0 0 0 0 0 0 0 63.5880 11.2130 15.4370 C 0 0 1 0 0 0 0 0 0 0 0 0 65.9500 9.9070 14.4200 C 0 0 2 0 0 0 0 0 0 0 0 0 63.5340 9.8450 14.9750 C 0 0 2 0 0 0 0 0 0 0 0 0 64.5630 9.6050 13.8500 C 0 0 2 0 0 0 0 0 0 0 0 0 66.0080 11.3570 14.8190 C 0 0 2 0 0 0 0 0 0 0 0 0 62.8210 11.5860 16.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 67.7060 8.4340 13.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 68.7270 8.0640 12.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 12 1 0 0 0 0 2 16 1 0 0 0 0 3 17 1 0 0 0 0 10 18 2 0 0 0 0 11 18 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 1 0 0 0 13 11 1 6 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 4 1 6 0 0 0 14 15 1 0 0 0 0 15 5 1 1 0 0 0 16 6 1 6 0 0 0 18 19 1 0 0 0 0 M END $$$$ 822321 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 63.3900 23.3330 14.6400 P 0 0 0 0 0 0 0 0 0 0 0 0 62.8690 23.8500 16.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 64.8230 24.2770 21.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 62.2440 23.2150 13.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 64.2500 22.1580 14.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 64.3080 24.5000 14.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 61.2650 24.1250 20.4510 N 0 0 0 0 0 0 0 0 0 0 0 0 66.0670 23.9750 19.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 62.4030 23.4690 18.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 63.6170 23.6490 19.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 63.6250 24.0720 20.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 62.4320 24.3020 21.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 62.3260 22.9450 17.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 61.2410 23.7180 19.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 64.9560 23.4300 18.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 62.3900 24.7570 22.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 M END $$$$ 822324 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 23.3910 12.9630 20.8740 P 0 0 0 0 0 0 0 0 0 0 0 0 23.7740 12.3970 19.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2780 14.2760 14.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3890 14.0240 20.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7450 13.6850 21.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1180 11.8020 21.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8430 10.7670 15.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 23.8780 15.5810 16.3980 N 0 0 0 0 0 0 0 0 0 0 0 0 23.3540 11.9460 17.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6180 13.1300 16.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9930 13.1040 15.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0990 11.9230 14.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8390 11.9020 18.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4750 10.7790 16.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5480 14.4700 17.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4480 11.8900 12.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 M END $$$$ 822327 OpenBabel12061010053D 31 33 0 0 0 0 0 0 0 0999 V2000 2.1310 28.7810 -0.3030 P 0 0 0 0 0 0 0 0 0 0 0 0 5.0060 17.1520 -1.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 18.9130 -0.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 23.4220 -1.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3050 24.9380 -4.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 27.2940 -0.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4350 25.9510 -2.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5290 29.8610 -1.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 28.7870 -0.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7430 29.1430 1.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 21.1180 -3.1150 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5000 19.3150 -2.9340 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 19.9790 -1.5190 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0070 17.9830 -0.5450 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2860 20.0930 -2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5970 21.3500 -4.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4010 19.0900 -2.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5480 20.3190 -3.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1860 18.0550 -1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6930 22.2970 -5.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 22.3330 -3.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6200 20.2460 -4.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 18.9610 -0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 22.2390 -5.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7240 21.2190 -5.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 23.5900 -2.6090 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2410 24.3810 -2.9360 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8930 25.4470 -1.8910 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9950 23.2280 -7.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8920 21.1840 -6.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 26.6730 -1.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 19 2 0 0 0 0 3 23 2 0 0 0 0 6 31 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 19 1 0 0 0 0 14 23 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 17 19 1 0 0 0 0 18 22 2 0 0 0 0 20 24 1 0 0 0 0 22 25 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 26 21 1 1 0 0 0 26 4 1 0 0 0 0 26 27 1 0 0 0 0 27 5 1 1 0 0 0 27 28 1 0 0 0 0 28 7 1 6 0 0 0 28 31 1 0 0 0 0 M CHG 1 11 1 M END $$$$ 822335 OpenBabel12061010053D 6 5 0 0 0 0 0 0 0 0999 V2000 27.4750 52.0910 1.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2830 51.7980 3.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1100 49.1890 3.6570 N 0 0 0 0 0 0 0 0 0 0 0 0 27.1170 51.4210 2.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7530 50.0480 2.6440 C 0 0 2 0 0 0 0 0 0 0 0 0 27.7490 49.3490 1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 4 1 0 0 0 0 5 4 1 6 0 0 0 5 3 1 0 0 0 0 5 6 1 0 0 0 0 M END $$$$ 822337 OpenBabel12061010053D 6 5 0 0 0 0 0 0 0 0999 V2000 15.7650 6.7830 4.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7600 5.6750 5.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5710 6.9130 5.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9350 5.2470 4.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5550 4.7410 4.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5450 3.5190 5.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 M END $$$$ 822349 OpenBabel12061010053D 13 12 0 0 0 0 0 0 0 0999 V2000 27.4960 -5.7050 14.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9130 -4.6430 16.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3840 -6.4290 16.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5870 -3.8920 12.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4170 -7.1780 17.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8340 -4.3210 13.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0770 -9.4750 16.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2250 -6.3700 14.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5230 -5.6970 15.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3510 -6.2090 13.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4080 -7.9180 14.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9790 -4.7030 12.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0140 -8.1090 16.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 9 2 0 0 0 0 3 9 1 0 0 0 0 4 12 2 0 0 0 0 5 13 2 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 M END $$$$ 822355 OpenBabel12061010053D 18 20 0 0 0 0 0 0 0 0999 V2000 1.6340 21.5620 129.5930 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 21.2460 133.9720 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 23.2430 133.2760 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 22.4090 132.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 22.7430 130.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 21.1180 132.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 22.5130 134.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 20.1240 134.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 19.5310 134.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 24.0240 130.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 22.7920 128.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 24.0230 128.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 18.2560 135.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 20.2910 134.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6960 18.4760 134.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 17.7190 135.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 19.7640 134.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0740 17.8950 134.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 5 10 2 0 0 0 0 8 9 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 11 12 2 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 M END $$$$ 822394 OpenBabel12061010053D 14 14 0 0 0 0 0 0 0 0999 V2000 66.6650 -22.7390 110.5430 P 0 0 0 0 0 0 0 0 0 0 0 0 66.1340 -22.8290 109.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 67.2520 -24.0590 110.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 65.5280 -22.4270 111.4610 O 0 0 0 0 0 0 0 0 0 0 0 0 68.3520 -20.7970 113.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 68.8480 -22.8860 114.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 71.1510 -22.2020 112.6230 N 0 0 0 0 0 0 0 0 0 0 0 0 69.4040 -21.7250 111.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 69.8420 -21.9130 112.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 67.9270 -21.3880 110.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 68.9540 -21.8120 113.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 70.3830 -21.8580 109.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 71.7360 -22.1650 110.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 72.0920 -22.3290 111.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 10 1 0 0 0 0 5 11 2 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 14 2 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 M END $$$$ 822400 OpenBabel12061010053D 28 30 0 0 0 0 0 0 0 0999 V2000 -9.1350 2.8710 55.3330 P 0 0 0 0 0 0 0 0 0 0 0 0 -9.3480 5.1420 53.7960 P 0 0 0 0 0 0 0 0 0 0 0 0 -11.2200 2.8120 59.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7410 2.6540 56.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4580 4.4400 55.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8870 -0.3910 60.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4790 1.8040 60.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.5550 -0.8510 57.7910 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8620 2.1350 54.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5790 2.7110 55.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8660 6.5320 54.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7460 5.1510 53.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4300 4.3270 52.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5590 0.9070 58.9500 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.9180 0.3680 57.3040 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.0380 0.0160 60.7750 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.0620 -1.0130 59.9480 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.6920 -0.9900 62.1870 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.4130 1.4670 59.6590 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.6630 0.3140 59.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1300 0.7110 59.3400 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.4910 -0.0410 58.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8170 3.1010 59.1570 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.0720 1.7990 59.4410 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.7370 0.9360 57.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6940 -0.7030 58.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4800 3.6580 57.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2390 -0.6660 60.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 9 2 0 0 0 0 1 10 1 0 0 0 0 2 5 1 0 0 0 0 2 11 2 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 19 1 0 0 0 0 3 23 1 0 0 0 0 4 27 1 0 0 0 0 8 26 2 0 0 0 0 14 20 1 0 0 0 0 14 25 1 0 0 0 0 15 22 1 0 0 0 0 15 25 2 0 0 0 0 16 20 1 0 0 0 0 16 28 2 0 0 0 0 17 26 1 0 0 0 0 17 28 1 0 0 0 0 18 28 1 0 0 0 0 19 14 1 6 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 21 6 1 1 0 0 0 21 24 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 6 0 0 0 24 7 1 1 0 0 0 M END $$$$ 822416 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 25.5930 19.0890 30.8460 P 0 0 0 0 0 0 0 0 0 0 0 0 28.0100 20.2710 32.4080 P 0 0 0 0 0 0 0 0 0 0 0 0 27.3510 18.9160 26.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2000 19.4050 29.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9160 19.2150 31.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 30.4060 19.7810 26.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 29.8920 19.1000 29.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9590 17.7640 31.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6800 20.2800 31.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2740 19.8680 31.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9860 19.8670 33.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6720 21.8460 32.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9860 21.1420 25.9300 N 0 0 0 0 0 0 0 0 0 0 0 0 25.1410 22.4230 26.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 28.0510 22.3360 24.0960 N 0 0 0 0 0 0 0 0 0 0 0 0 26.8010 24.2400 23.3570 N 0 0 0 0 0 0 0 0 0 0 0 0 24.7560 24.8400 24.3370 N 0 0 0 0 0 0 0 0 0 0 0 0 28.0280 20.0560 26.1100 C 0 0 1 0 0 0 0 0 0 0 0 0 27.0650 22.1280 25.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2150 20.3400 26.9400 C 0 0 1 0 0 0 0 0 0 0 0 0 28.0440 18.4090 27.7140 C 0 0 1 0 0 0 0 0 0 0 0 0 28.8320 19.5730 28.2080 C 0 0 1 0 0 0 0 0 0 0 0 0 25.9120 22.8890 25.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8260 21.3710 26.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1170 18.3810 28.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8160 24.0000 24.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8750 23.4130 23.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 18 13 1 1 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 6 1 6 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 1 0 0 0 22 7 1 6 0 0 0 23 26 2 0 0 0 0 M END $$$$ 822423 OpenBabel12061010053D 21 22 0 0 0 0 0 0 0 0999 V2000 3.5590 66.0960 47.6430 P 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 66.3340 46.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7410 65.7960 46.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0650 63.4030 44.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8600 65.5260 43.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9530 63.8270 46.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1460 66.6400 48.9250 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 67.0990 46.9110 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8340 64.7900 47.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8950 62.5970 50.5410 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8350 64.3780 47.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4390 63.1830 48.4240 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4530 65.0500 45.8190 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4350 64.2200 45.0320 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6290 66.4940 45.3050 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4190 65.2800 44.4640 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1000 63.8000 47.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5720 66.9010 46.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0170 64.3520 48.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5620 63.1510 49.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2820 63.7650 49.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 3 18 1 0 0 0 0 6 17 2 0 0 0 0 10 20 2 0 0 0 0 11 17 1 0 0 0 0 11 19 1 0 0 0 0 12 17 1 0 0 0 0 12 20 1 0 0 0 0 13 11 1 1 0 0 0 13 14 1 0 0 0 0 14 4 1 6 0 0 0 14 16 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 1 0 0 0 16 5 1 6 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 M END $$$$ 822427 OpenBabel12061010053D 17 18 0 0 0 0 0 0 0 0999 V2000 19.3680 5.3460 18.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1030 7.3150 20.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4060 8.1000 20.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3880 4.9260 16.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7310 7.5530 12.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9720 4.5780 17.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7220 6.4680 16.5480 N 0 0 0 0 0 0 0 0 0 0 0 0 21.9780 6.2170 14.6120 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5200 6.1570 17.9720 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3220 7.4090 18.8430 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8220 7.3680 19.1140 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5590 5.8750 19.2040 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7430 5.8090 15.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9620 7.4180 15.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2990 7.1960 13.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1240 5.4400 19.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2110 7.7970 14.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 4 13 2 0 0 0 0 5 15 2 0 0 0 0 6 16 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 9 7 1 6 0 0 0 9 10 1 0 0 0 0 10 2 1 1 0 0 0 10 11 1 0 0 0 0 11 3 1 1 0 0 0 11 12 1 0 0 0 0 12 16 1 6 0 0 0 14 17 2 0 0 0 0 15 17 1 0 0 0 0 M END $$$$ 822443 OpenBabel12061010053D 6 5 0 0 0 0 0 0 0 0999 V2000 70.4750 15.1180 45.6050 O 0 0 0 0 0 0 0 0 0 0 0 0 69.0210 12.6940 48.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 71.9060 12.7580 44.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 70.2360 14.0460 46.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 69.5280 13.6850 47.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 71.1400 13.0150 46.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 M END $$$$ 822461 OpenBabel12061010053D 11 11 0 0 0 0 0 0 0 0999 V2000 -10.9750 18.6770 53.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0100 20.4090 54.8140 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.3780 22.8640 53.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2650 21.6500 53.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3360 20.8950 54.4370 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.1590 23.5630 54.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7650 23.3150 51.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3150 19.7310 54.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3500 24.7040 54.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9550 24.4510 51.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7430 25.1430 53.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 3 4 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 5 4 1 6 0 0 0 5 2 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 M END $$$$ 822475 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 27.2600 -17.0560 0.7170 S 0 0 0 0 0 0 0 0 0 0 0 0 23.6900 -20.4060 0.8740 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2610 -19.2880 2.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5590 -15.0410 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4960 -17.6180 0.2680 N 0 0 0 0 0 0 0 0 0 0 0 0 22.6110 -18.5030 -0.0450 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8770 -19.4720 1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8910 -17.7180 -0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5860 -17.0520 0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7700 -16.1980 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 7 2 0 0 0 0 3 7 1 0 0 0 0 4 10 2 0 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 M END $$$$ 822503 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 16.2020 4.7490 34.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2470 4.7930 32.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3320 2.9670 33.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5650 7.5770 32.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7300 7.7840 36.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1640 5.4710 36.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2630 6.1250 35.4170 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9830 5.2440 33.1450 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4810 4.2890 34.2380 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1070 6.6430 33.7400 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7420 7.1090 34.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9250 6.4940 36.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 5 12 2 0 0 0 0 6 12 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 6 0 0 0 8 2 1 1 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 3 1 6 0 0 0 10 4 1 6 0 0 0 10 11 1 0 0 0 0 M END $$$$ 822507 OpenBabel12061010053D 21 22 0 0 0 0 0 0 0 0999 V2000 -5.2700 5.7430 14.0790 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.0280 3.4300 15.4720 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.8920 0.9580 16.7010 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.4790 5.8440 12.8990 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6320 6.8010 15.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0610 0.8360 17.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1590 1.2450 17.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 10.0080 13.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 6.1240 13.3620 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4240 2.6860 12.6490 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8390 -0.2500 15.9890 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1960 4.1310 14.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0170 3.3220 14.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3800 2.1280 15.7960 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9130 3.7530 13.5450 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1140 2.1930 15.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2340 5.0040 12.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8610 6.7830 14.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3550 8.0930 13.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3790 8.8020 14.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 10.7110 14.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 6 2 0 0 0 0 3 7 2 0 0 0 0 3 11 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 12 13 2 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 3 1 6 0 0 0 14 16 1 0 0 0 0 15 10 1 6 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 M END $$$$ 822523 OpenBabel12061010053D 25 27 0 0 0 0 0 0 0 0999 V2000 28.0690 32.1730 40.7990 S 0 0 0 0 0 0 0 0 0 0 0 0 27.4690 36.6800 40.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 36.7750 25.0940 43.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 36.5200 26.7910 44.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 34.2500 30.5510 38.6360 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2500 35.3210 40.6680 N 0 0 0 0 0 0 0 0 0 0 0 0 27.4880 35.1930 41.9590 N 0 0 0 0 0 0 0 0 0 0 0 0 33.1030 28.7190 39.2220 N 0 0 0 0 0 0 0 0 0 0 0 0 36.3100 26.1940 43.2980 N 0 0 0 0 0 0 0 0 0 0 0 0 29.5860 34.2850 41.6400 C 0 0 1 0 0 0 0 0 0 0 0 0 28.3400 34.2100 42.5370 C 0 0 2 0 0 0 0 0 0 0 0 0 29.7560 32.8740 40.9870 C 0 0 2 0 0 0 0 0 0 0 0 0 28.0350 35.7920 40.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6800 32.8400 42.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4440 32.9300 39.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0970 31.6170 39.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8800 28.0370 40.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4790 26.8180 42.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2070 26.1040 40.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9550 28.1310 42.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4020 26.7190 39.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1680 28.7310 41.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4050 29.6790 38.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7630 31.6650 37.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2920 30.2800 37.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 13 2 0 0 0 0 3 9 2 0 0 0 0 4 9 2 0 0 0 0 5 23 2 0 0 0 0 6 13 1 0 0 0 0 7 13 1 0 0 0 0 8 17 1 0 0 0 0 8 23 1 0 0 0 0 9 18 1 0 0 0 0 10 6 1 6 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 11 14 1 0 0 0 0 12 15 1 6 0 0 0 15 16 1 0 0 0 0 16 24 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 23 25 1 0 0 0 0 24 25 1 0 0 0 0 M END $$$$ 822528 OpenBabel12061010053D 23 24 0 0 0 0 0 0 0 0999 V2000 -6.0320 -0.7390 16.8640 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4570 5.9510 15.1260 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 7.6090 16.9090 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 8.8140 15.9800 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.4480 -0.5270 16.9750 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3920 -0.2980 18.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3330 4.8280 12.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0390 4.1470 12.8430 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4400 -2.2260 16.2460 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 6.2960 13.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4240 6.4970 14.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6580 0.6690 15.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 7.4000 15.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9000 2.8550 14.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 8.0690 15.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4470 4.0010 13.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2800 0.8300 15.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6000 1.6050 15.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 6.9750 12.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5620 5.4530 12.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9360 1.9140 14.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2150 2.6940 14.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 7.8490 13.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 11 1 0 0 0 0 3 13 1 0 0 0 0 4 15 1 0 0 0 0 7 16 2 0 0 0 0 8 16 1 0 0 0 0 8 20 1 0 0 0 0 10 11 1 0 0 0 0 10 19 2 0 0 0 0 10 20 1 0 0 0 0 11 13 2 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 2 0 0 0 0 14 22 1 0 0 0 0 15 23 2 0 0 0 0 17 21 1 0 0 0 0 18 22 2 0 0 0 0 19 23 1 0 0 0 0 M END $$$$ 822536 OpenBabel12061010053D 20 20 0 0 0 0 0 0 0 0999 V2000 37.1340 32.0680 38.6100 P 0 0 0 0 0 0 0 0 0 0 0 0 39.9570 31.1730 30.7670 P 0 0 0 0 0 0 0 0 0 0 0 0 39.9550 31.6060 32.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 37.9980 32.4870 37.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 38.8670 29.2010 34.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 39.7130 30.3320 36.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 36.4480 33.2580 35.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 37.5560 32.9830 32.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 37.1790 33.1190 39.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 39.1330 29.9850 30.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 35.6650 31.8640 38.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 37.8280 30.7740 39.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 41.4440 30.8850 30.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 39.6180 32.4510 29.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 39.2070 31.2180 33.3280 C 0 0 1 0 0 0 0 0 0 0 0 0 38.0340 31.7450 36.1010 C 0 0 2 0 0 0 0 0 0 0 0 0 39.6290 30.3710 34.5570 C 0 0 1 0 0 0 0 0 0 0 0 0 39.4580 31.1630 35.8970 C 0 0 2 0 0 0 0 0 0 0 0 0 37.7470 32.6800 34.9040 C 0 0 1 0 0 0 0 0 0 0 0 0 37.8170 31.9330 33.5400 C 0 0 1 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 9 2 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 3 1 0 0 0 0 2 10 2 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 15 3 1 1 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 16 4 1 6 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 5 1 1 0 0 0 17 18 1 0 0 0 0 18 6 1 6 0 0 0 19 7 1 1 0 0 0 19 20 1 0 0 0 0 20 8 1 1 0 0 0 M END $$$$ 822635 OpenBabel12061010053D 33 35 0 0 0 0 0 0 0 0999 V2000 9.5980 26.3540 32.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0810 17.2600 35.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9440 17.9200 34.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6440 26.7630 34.5920 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7440 24.6650 33.3610 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1510 24.2680 33.9860 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3240 25.7250 34.3590 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8430 23.2080 33.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0030 25.1150 31.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8290 24.0930 35.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6640 25.1080 35.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8690 26.2350 34.2630 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7670 23.4340 33.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1190 23.6110 31.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7460 24.0440 31.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0930 22.0100 33.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5150 19.5510 33.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6940 20.8710 33.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7770 27.6320 34.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5720 19.0090 34.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1020 17.8680 35.1520 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2620 18.4950 32.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8760 17.3790 33.4080 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2370 26.0790 32.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8000 16.7630 34.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3070 19.4890 34.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 26.3060 33.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7170 25.7310 33.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1490 25.3120 33.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9370 26.2880 32.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0380 24.5230 34.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2340 23.2360 33.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5120 27.5550 31.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 1 0 0 0 6 8 1 1 0 0 0 6 10 1 0 0 0 0 7 11 1 1 0 0 0 7 12 1 0 0 0 0 8 14 1 0 0 0 0 8 16 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 12 1 1 6 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 16 18 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 17 22 1 0 0 0 0 20 21 1 0 0 0 0 20 26 2 0 0 0 0 21 2 1 6 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 23 3 1 1 0 0 0 23 25 1 0 0 0 0 24 27 1 0 0 0 0 27 29 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 M END $$$$ 822648 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 25.2500 26.5300 34.8060 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2630 23.5900 36.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1560 23.5830 34.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6660 24.8180 38.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3780 27.2430 36.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1280 27.3910 32.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2740 24.1800 36.1660 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6590 24.6840 34.8610 C 0 0 1 0 0 0 0 0 0 0 0 0 24.9510 25.3340 36.9290 C 0 0 2 0 0 0 0 0 0 0 0 0 24.7250 25.4190 34.0420 C 0 0 1 0 0 0 0 0 0 0 0 0 25.9190 26.1080 36.0110 C 0 0 1 0 0 0 0 0 0 0 0 0 24.2010 25.9690 32.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 822656 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 25.8220 24.5690 38.0290 F 0 0 0 0 0 0 0 0 0 0 0 0 25.7260 25.5700 34.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2460 23.6520 37.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7320 23.4270 34.4640 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3400 24.1660 35.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8910 26.5340 32.7080 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2670 23.8750 36.3110 C 0 0 2 0 0 0 0 0 0 0 0 0 25.2280 24.9660 36.8260 C 0 0 2 0 0 0 0 0 0 0 0 0 23.6480 24.3810 35.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.7840 24.6140 33.9570 C 0 0 1 0 0 0 0 0 0 0 0 0 26.2910 25.1690 35.8010 C 0 0 2 0 0 0 0 0 0 0 0 0 24.2900 25.1730 32.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 6 12 1 0 0 0 0 7 3 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 1 1 6 0 0 0 8 11 1 0 0 0 0 9 4 1 6 0 0 0 9 10 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 6 0 0 0 M END $$$$ 822657 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 34.1050 28.3540 51.7420 O 0 0 0 0 0 0 0 0 0 0 0 0 38.0550 27.8990 50.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 37.3820 29.8610 52.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 35.4210 31.4790 52.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 35.2750 25.3500 48.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 36.2800 25.6740 50.3590 N 0 0 0 0 0 0 0 0 0 0 0 0 33.4640 26.3470 50.6600 N 0 0 0 0 0 0 0 0 0 0 0 0 35.8130 27.0250 50.6100 C 0 0 2 0 0 0 0 0 0 0 0 0 36.8950 27.7980 51.3620 C 0 0 2 0 0 0 0 0 0 0 0 0 36.3970 29.1930 51.7280 C 0 0 1 0 0 0 0 0 0 0 0 0 34.5060 27.0100 51.4230 C 0 0 1 0 0 0 0 0 0 0 0 0 35.0900 29.0760 52.5180 C 0 0 1 0 0 0 0 0 0 0 0 0 34.4770 30.4230 52.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 35.6870 24.9120 49.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5230 23.4370 49.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 822700 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 217.8890 91.7330 -23.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 218.9530 87.8670 -22.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 216.3370 88.9130 -22.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 220.5630 89.0960 -24.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 220.0590 91.5600 -23.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 215.3020 91.0850 -21.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 218.2570 88.7880 -23.4820 C 0 0 1 0 0 0 0 0 0 0 0 0 217.3910 89.6830 -22.6220 C 0 0 1 0 0 0 0 0 0 0 0 0 219.2590 89.6070 -24.3150 C 0 0 1 0 0 0 0 0 0 0 0 0 216.8390 90.7760 -23.5240 C 0 0 1 0 0 0 0 0 0 0 0 0 219.2290 91.1670 -24.0790 C 0 0 1 0 0 0 0 0 0 0 0 0 215.6360 91.5520 -22.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 822708 OpenBabel12061010053D 20 22 0 0 0 0 0 0 0 0999 V2000 4.4580 7.1030 51.4630 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4460 10.0710 52.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9600 9.4250 53.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8120 5.2140 47.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 7.6060 49.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9620 7.1680 51.2200 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1280 6.5350 50.8420 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9530 6.6140 49.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5540 5.6380 47.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2740 5.9610 47.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7310 7.7100 51.9640 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0400 6.6770 49.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3680 6.2700 49.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4740 9.2060 51.7370 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0040 9.3570 52.3810 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3250 8.0150 51.8460 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2600 7.0520 51.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7410 5.6690 48.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2600 6.0850 47.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 8.4510 50.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 16 1 0 0 0 0 4 18 2 0 0 0 0 5 20 1 0 0 0 0 6 12 1 0 0 0 0 6 17 1 0 0 0 0 7 13 1 0 0 0 0 7 17 2 0 0 0 0 8 12 1 0 0 0 0 8 19 2 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 19 1 0 0 0 0 11 6 1 6 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 13 18 1 0 0 0 0 14 2 1 1 0 0 0 14 15 1 0 0 0 0 15 3 1 1 0 0 0 15 16 1 0 0 0 0 16 20 1 6 0 0 0 M END $$$$ 822724 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 88.9690 -5.2910 -10.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 88.5420 -5.8010 -13.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 83.2600 -8.5670 -9.8620 O 0 0 0 0 0 0 0 0 0 0 0 0 83.4250 -7.1390 -11.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 88.2610 -7.6590 -9.9890 N 0 0 0 0 0 0 0 0 0 0 0 0 87.7440 -7.2760 -11.3330 C 0 0 2 0 0 0 0 0 0 0 0 0 88.4730 -6.0300 -11.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 86.2340 -7.0120 -11.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 85.4360 -8.1940 -10.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 83.9360 -7.9430 -10.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 7 1 0 0 0 0 3 10 2 0 0 0 0 4 10 1 0 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 M END $$$$ 822757 OpenBabel12061010053D 29 31 0 0 0 0 0 0 0 0999 V2000 8.2810 36.5000 41.7080 S 0 0 0 0 0 0 0 0 0 0 0 0 11.2510 35.5200 44.9520 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2080 37.4580 44.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6700 38.3900 47.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1220 37.0040 43.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5450 39.3490 47.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 35.8400 44.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0050 36.1870 44.8310 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1870 35.3120 43.9010 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3360 36.5040 46.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2960 36.9650 47.2960 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2200 36.1850 45.8820 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6400 36.2300 47.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5650 35.4600 42.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1990 36.4760 43.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5030 35.3810 45.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7770 39.4550 47.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9560 34.9570 44.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4980 40.7450 47.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7010 35.9980 43.6200 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7180 41.0920 46.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0130 36.4870 44.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7300 40.1180 46.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0570 35.4170 42.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0790 42.5970 46.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1630 37.5700 45.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1070 40.3690 46.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0640 38.3880 45.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1560 39.4190 46.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 8 1 0 0 0 0 4 17 1 0 0 0 0 5 15 2 0 0 0 0 6 17 2 0 0 0 0 7 15 1 0 0 0 0 8 3 1 6 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 7 1 6 0 0 0 9 14 1 0 0 0 0 11 10 1 6 0 0 0 11 4 1 0 0 0 0 11 13 1 0 0 0 0 12 2 1 1 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 20 24 1 1 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 22 26 2 0 0 0 0 23 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 29 2 0 0 0 0 M END $$$$ 822764 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 84.2080 -12.4350 66.7460 P 0 0 0 0 0 0 0 0 0 0 0 0 84.9080 -13.6700 65.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 84.1860 -11.0950 65.8320 O 0 0 0 0 0 0 0 0 0 0 0 0 82.6130 -12.9420 66.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 84.7280 -12.3590 68.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 85.2910 -15.8030 64.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 87.7330 -17.0480 64.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 87.2910 -16.1280 65.5670 N 0 0 0 0 0 0 0 0 0 0 0 0 85.7000 -14.6110 66.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 86.1170 -15.6070 65.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 9 1 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 8 10 1 0 0 0 0 9 10 1 0 0 0 0 M END $$$$ 822808 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 19.1280 19.7050 25.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5750 16.5520 26.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4960 16.1420 24.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7350 18.3290 25.8060 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6520 18.7210 27.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6430 19.2610 26.6110 N 0 0 0 0 0 0 0 0 0 0 0 0 20.4060 21.2750 26.4380 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2290 18.9440 26.4790 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0590 17.5870 25.7770 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5860 17.3020 25.4790 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5160 20.0380 25.6870 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9310 18.4950 24.7630 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4300 18.3180 24.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4360 18.5400 27.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7810 17.4590 28.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 822817 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 64.4280 -21.3750 -27.7840 P 0 0 0 0 0 0 0 0 0 0 0 0 65.9060 -19.4000 -26.1720 P 0 0 0 0 0 0 0 0 0 0 0 0 64.0870 -25.8020 -27.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 64.4160 -22.9230 -27.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 65.3900 -20.7840 -26.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 61.4290 -25.9990 -29.7070 O 0 0 0 0 0 0 0 0 0 0 0 0 63.9010 -26.1240 -30.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 65.1360 -21.1150 -29.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 63.0560 -20.7840 -27.7670 O 0 0 0 0 0 0 0 0 0 0 0 0 65.5420 -19.1550 -24.7780 O 0 0 0 0 0 0 0 0 0 0 0 0 65.3710 -18.3300 -27.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 67.4440 -19.5690 -26.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 61.9900 -25.6520 -26.1910 N 0 0 0 0 0 0 0 0 0 0 0 0 61.1730 -24.4740 -24.5240 N 0 0 0 0 0 0 0 0 0 0 0 0 60.3450 -27.5650 -26.2920 N 0 0 0 0 0 0 0 0 0 0 0 0 58.6180 -27.3160 -24.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 58.6460 -25.4310 -23.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 62.8010 -26.0620 -27.2110 C 0 0 1 0 0 0 0 0 0 0 0 0 60.8980 -26.3570 -25.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 62.2980 -25.5470 -28.6350 C 0 0 1 0 0 0 0 0 0 0 0 0 64.7230 -25.2050 -28.2380 C 0 0 1 0 0 0 0 0 0 0 0 0 63.5210 -25.0930 -29.2010 C 0 0 1 0 0 0 0 0 0 0 0 0 60.4020 -25.5860 -24.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 62.0760 -24.5610 -25.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 65.1970 -24.0380 -27.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 59.1990 -26.1040 -24.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 59.2030 -27.9950 -25.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 18 13 1 1 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 6 1 6 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 1 0 0 0 22 7 1 1 0 0 0 23 26 2 0 0 0 0 M END $$$$ 822855 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 -20.0700 34.7760 40.8480 P 0 0 0 0 0 0 0 0 0 0 0 0 -20.3920 32.5130 39.0940 P 0 0 0 0 0 0 0 0 0 0 0 0 -23.4190 36.4230 43.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 -21.2600 35.7120 40.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.7880 33.4230 40.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 -21.3080 39.1110 44.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 -22.7070 39.2090 42.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.3880 34.4860 42.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.3190 35.4140 39.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 -21.2260 32.8940 37.8960 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.6430 31.0720 39.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.8840 32.7360 38.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 -22.4510 36.0560 45.7730 N 0 0 0 0 0 0 0 0 0 0 0 0 -21.7110 34.2660 46.7440 N 0 0 0 0 0 0 0 0 0 0 0 0 -23.1910 37.3800 47.6810 N 0 0 0 0 0 0 0 0 0 0 0 0 -22.9130 36.2160 49.7650 N 0 0 0 0 0 0 0 0 0 0 0 0 -21.9580 34.0340 49.8950 N 0 0 0 0 0 0 0 0 0 0 0 0 -22.7090 36.9900 44.6410 C 0 0 1 0 0 0 0 0 0 0 0 0 -22.6460 36.2900 47.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.4790 37.8520 44.1940 C 0 0 1 0 0 0 0 0 0 0 0 0 -22.8430 36.7840 42.3310 C 0 0 1 0 0 0 0 0 0 0 0 0 -21.9060 38.0050 42.6480 C 0 0 1 0 0 0 0 0 0 0 0 0 -22.2110 35.1580 47.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.8810 34.8620 45.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.2190 35.4800 41.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.3510 35.1220 49.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.2940 37.2660 49.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 18 13 1 6 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 6 1 6 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 1 0 0 0 22 7 1 1 0 0 0 23 26 2 0 0 0 0 M END $$$$ 822865 OpenBabel12061010053D 28 30 0 0 0 0 0 0 0 0999 V2000 29.7110 10.7740 24.0410 P 0 0 0 0 0 0 0 0 0 0 0 0 31.3050 11.3450 21.5720 P 0 0 0 0 0 0 0 0 0 0 0 0 29.2180 13.9510 27.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 29.5440 11.8100 25.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 30.7010 11.6370 23.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4500 11.6820 29.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1250 12.0200 29.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1250 16.2530 25.6650 O 0 0 0 0 0 0 0 0 0 0 0 0 30.6070 9.6630 24.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3540 10.3990 23.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 32.7440 11.2250 21.7940 O 0 0 0 0 0 0 0 0 0 0 0 0 30.9270 12.4340 20.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 30.7430 9.8810 21.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9000 14.0830 27.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 25.3560 14.2430 25.3640 N 0 0 0 0 0 0 0 0 0 0 0 0 26.0760 15.7980 28.5790 N 0 0 0 0 0 0 0 0 0 0 0 0 24.0760 16.8120 27.6690 N 0 0 0 0 0 0 0 0 0 0 0 0 24.8850 17.5420 29.7430 N 0 0 0 0 0 0 0 0 0 0 0 0 28.0830 13.6420 27.7750 C 0 0 1 0 0 0 0 0 0 0 0 0 26.0240 15.0650 27.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1350 12.1070 27.9440 C 0 0 1 0 0 0 0 0 0 0 0 0 25.0580 15.1540 26.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2460 12.8830 27.1320 C 0 0 1 0 0 0 0 0 0 0 0 0 29.6180 11.8590 28.0720 C 0 0 1 0 0 0 0 0 0 0 0 0 26.4470 13.6310 25.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0550 16.0450 26.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6290 12.3970 25.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0300 16.6980 28.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 9 2 0 0 0 0 1 10 1 0 0 0 0 2 5 1 0 0 0 0 2 11 2 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 19 1 0 0 0 0 3 23 1 0 0 0 0 4 27 1 0 0 0 0 8 26 2 0 0 0 0 14 20 1 0 0 0 0 14 25 1 0 0 0 0 15 22 1 0 0 0 0 15 25 2 0 0 0 0 16 20 1 0 0 0 0 16 28 2 0 0 0 0 17 26 1 0 0 0 0 17 28 1 0 0 0 0 18 28 1 0 0 0 0 19 14 1 6 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 21 6 1 1 0 0 0 21 24 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 6 0 0 0 24 7 1 1 0 0 0 M END $$$$ 822872 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 46.6980 -22.2010 96.5570 O 0 0 0 0 0 0 0 0 0 0 0 0 49.0760 -21.2560 93.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 48.6250 -19.2840 95.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 45.4520 -19.4090 96.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 48.3310 -23.3090 91.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 48.7780 -23.9610 94.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 47.0120 -24.5560 96.1900 N 0 0 0 0 0 0 0 0 0 0 0 0 47.9650 -22.9090 94.6270 C 0 0 2 0 0 0 0 0 0 0 0 0 48.7240 -21.5870 94.6070 C 0 0 2 0 0 0 0 0 0 0 0 0 47.8580 -20.4790 95.2060 C 0 0 1 0 0 0 0 0 0 0 0 0 47.5850 -23.2220 96.0720 C 0 0 1 0 0 0 0 0 0 0 0 0 47.3190 -20.8840 96.5960 C 0 0 1 0 0 0 0 0 0 0 0 0 46.2590 -19.9060 97.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 48.8910 -24.0730 92.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 49.7570 -25.2040 92.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 822876 OpenBabel12061010053D 41 45 0 0 0 0 0 0 0 0999 V2000 7.4650 25.9230 13.7500 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.0410 24.3610 5.5980 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6730 17.8930 7.4990 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0150 25.2880 4.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5170 24.8020 5.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6710 21.2350 7.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2790 16.5450 8.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2060 17.8540 7.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8690 22.7390 5.1300 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9530 19.3770 7.5110 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2430 20.0450 4.8180 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 17.6280 7.2560 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 15.2620 9.4470 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7890 24.4230 7.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1190 25.6770 9.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3990 24.5170 10.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3210 25.6070 7.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4200 20.7470 5.4260 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0670 23.2880 8.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4850 20.5520 6.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8690 23.3410 9.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5310 22.2040 4.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1940 24.6040 11.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6520 26.8540 9.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 25.8060 12.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7690 19.3990 8.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1610 18.1690 6.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2720 19.3780 8.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5980 18.1490 6.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4580 26.9170 11.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8620 19.7630 5.6730 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8760 20.6410 4.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 16.8020 8.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 18.3930 5.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 19.5230 7.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 17.5030 5.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2930 18.6630 7.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 16.9540 9.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 15.8330 7.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 16.1550 10.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 15.0830 8.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 9 1 0 0 0 0 2 14 1 0 0 0 0 3 7 2 0 0 0 0 3 8 2 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 6 20 2 0 0 0 0 9 22 1 0 0 0 0 10 20 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 40 2 0 0 0 0 13 41 1 0 0 0 0 14 17 2 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 16 21 1 0 0 0 0 16 23 1 0 0 0 0 18 11 1 1 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 19 21 2 0 0 0 0 23 25 2 0 0 0 0 24 30 2 0 0 0 0 25 30 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 31 32 1 6 0 0 0 31 34 1 0 0 0 0 31 35 1 0 0 0 0 33 38 2 0 0 0 0 33 39 1 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 38 40 1 0 0 0 0 39 41 2 0 0 0 0 M END $$$$ 822878 OpenBabel12061010053D 37 41 0 0 0 0 0 0 0 0999 V2000 7.2980 26.7880 13.9350 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.0930 23.7830 5.9380 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2480 25.0930 5.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3260 22.9080 5.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2700 23.4880 4.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 22.9610 4.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7300 22.8630 5.3610 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3090 21.3410 4.6520 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 18.4790 7.5170 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 22.0900 4.9460 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 16.7400 10.5340 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8540 24.1630 7.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9770 20.0770 5.1580 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2300 22.8160 4.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4620 23.6210 5.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2510 25.4430 7.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0080 25.8060 9.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1930 20.4590 4.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5310 21.5000 5.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4110 24.7810 10.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2320 23.1940 8.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5240 20.6140 5.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 18.5030 5.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3350 20.4340 6.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0200 23.4880 10.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 20.8700 4.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 17.7980 6.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4530 19.7780 7.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3990 27.1000 9.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1700 25.1360 11.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 17.8820 8.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5710 26.4100 12.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1900 27.3850 11.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 18.5170 9.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 16.6270 8.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 17.9090 10.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 16.1110 9.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 5 14 2 0 0 0 0 6 10 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 8 14 1 0 0 0 0 8 18 1 0 0 0 0 8 22 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 9 31 1 0 0 0 0 10 26 2 3 0 0 0 11 36 2 0 0 0 0 11 37 1 0 0 0 0 12 16 2 0 0 0 0 12 21 1 0 0 0 0 13 18 1 6 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 17 20 2 0 0 0 0 17 29 1 0 0 0 0 19 22 1 0 0 0 0 20 25 1 0 0 0 0 20 30 1 0 0 0 0 21 25 2 0 0 0 0 23 27 2 0 0 0 0 24 28 2 0 0 0 0 29 33 2 0 0 0 0 30 32 2 0 0 0 0 31 34 2 0 0 0 0 31 35 1 0 0 0 0 32 33 1 0 0 0 0 34 36 1 0 0 0 0 35 37 2 0 0 0 0 M END $$$$ 822884 OpenBabel12061010053D 31 34 0 0 0 0 0 0 0 0999 V2000 7.2020 26.4740 14.0100 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.2290 24.3330 5.4380 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8180 25.5820 4.6390 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7220 24.0770 5.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3420 22.9370 4.8880 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5260 20.6480 5.5510 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 18.3190 8.1020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6180 16.5690 11.1630 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8270 23.0990 4.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8880 21.6380 5.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9010 24.5410 7.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9990 21.7880 4.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9800 20.3810 5.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3340 19.2490 6.1250 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7350 19.3850 5.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 17.7180 9.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3710 25.5800 7.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5850 17.8710 5.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 19.5970 7.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 17.8010 6.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0860 19.4960 8.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0980 25.7640 9.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 18.2290 10.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 16.5890 8.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5150 24.7770 10.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3920 26.9740 9.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5270 26.2120 12.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2320 25.0030 11.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1110 27.1950 11.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7670 17.6220 11.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6130 16.0590 9.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 2 11 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 16 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 30 2 0 0 0 0 8 31 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 11 17 2 0 0 0 0 14 15 1 1 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 16 23 2 0 0 0 0 16 24 1 0 0 0 0 17 22 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 30 1 0 0 0 0 24 31 2 0 0 0 0 25 28 1 0 0 0 0 26 29 2 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M END $$$$ 822903 OpenBabel12061010053D 12 11 0 0 0 0 0 0 0 0999 V2000 10.2510 23.8300 80.4120 P 0 0 0 0 0 0 0 0 0 0 0 0 9.9420 22.3700 80.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9700 24.5520 80.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0120 24.4680 81.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0830 23.8180 79.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5030 20.0630 82.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9250 19.7920 79.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9930 17.5200 80.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5450 20.1520 81.3930 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0030 21.5830 81.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0190 19.5170 80.1240 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9200 18.0520 80.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 10 1 0 0 0 0 8 12 1 0 0 0 0 9 6 1 6 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 7 1 1 0 0 0 11 12 1 0 0 0 0 M END $$$$ 822910 OpenBabel12061010053D 21 22 0 0 0 0 0 0 0 0999 V2000 11.0530 26.2150 10.3540 P 0 0 0 0 0 0 0 0 0 0 0 0 8.7810 24.1480 16.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1660 27.4170 11.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9160 27.6660 19.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2930 24.9470 11.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6660 26.3060 9.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1540 26.5760 9.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5870 24.6500 15.8950 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7910 26.4510 19.6630 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6370 27.4170 16.6660 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8940 26.2180 17.1280 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3000 26.3540 17.6500 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4090 27.4170 15.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8360 24.8990 16.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6870 26.8820 19.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6210 27.4230 14.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8360 27.3950 15.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5810 27.4060 12.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1700 27.4170 12.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3900 27.3910 13.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1520 23.2880 15.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 14 2 0 0 0 0 3 18 1 0 0 0 0 4 15 2 0 0 0 0 8 14 1 0 0 0 0 8 21 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 6 0 0 0 11 12 1 0 0 0 0 11 14 1 6 0 0 0 12 15 1 1 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M END $$$$ 822913 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 25.5060 31.5680 30.4200 S 0 0 0 0 0 0 0 0 0 0 0 0 26.4820 31.7530 31.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4160 30.7950 30.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0340 32.7770 29.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8220 28.0200 24.9380 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3130 29.0900 27.3410 N 0 0 0 0 0 0 0 0 0 0 0 0 26.3960 30.4160 29.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6240 30.1390 28.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5180 29.4960 26.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1900 28.8290 26.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9220 28.3510 25.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5870 27.6950 25.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 M END $$$$ 822916 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 4.8000 7.4790 59.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9940 7.4470 62.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2170 9.6870 59.8810 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 8.8760 61.1250 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8650 9.0100 61.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 8.1280 61.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4610 7.8590 61.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 9.2110 60.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 9.5930 62.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 9.9750 61.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 10.3570 63.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 10.5430 62.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 7 1 0 0 0 0 4 3 1 6 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 11 12 1 0 0 0 0 M END $$$$ 822952 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 53.8610 42.1980 53.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 55.7540 39.0280 54.8810 O 0 0 0 0 0 0 0 0 0 0 0 0 53.0550 38.7010 53.8250 O 0 0 0 0 0 0 0 0 0 0 0 0 51.4350 42.6450 53.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 58.2160 42.4940 54.4810 O 0 0 0 0 0 0 0 0 0 0 0 0 57.3070 40.8510 53.2330 N 0 0 0 0 0 0 0 0 0 0 0 0 55.8900 43.3280 52.6270 N 0 0 0 0 0 0 0 0 0 0 0 0 55.9530 41.1110 53.6930 C 0 0 2 0 0 0 0 0 0 0 0 0 55.2170 39.7730 53.7980 C 0 0 2 0 0 0 0 0 0 0 0 0 53.7070 39.9530 54.0010 C 0 0 1 0 0 0 0 0 0 0 0 0 55.2290 42.0410 52.7120 C 0 0 1 0 0 0 0 0 0 0 0 0 53.1370 40.9570 53.0020 C 0 0 1 0 0 0 0 0 0 0 0 0 51.6660 41.2540 53.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 58.3380 41.5550 53.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 59.7120 41.1870 53.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 822956 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 -24.4220 -3.0980 25.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -22.1650 -6.2310 26.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 -25.0000 -6.5600 26.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 -27.2640 -3.3720 24.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.9860 -2.6970 26.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.9160 -4.3270 24.8120 N 0 0 0 0 0 0 0 0 0 0 0 0 -22.5030 -1.9300 24.2770 N 0 0 0 0 0 0 0 0 0 0 0 0 -22.2390 -4.1180 25.3710 C 0 0 2 0 0 0 0 0 0 0 0 0 -22.9060 -5.4770 25.5730 C 0 0 2 0 0 0 0 0 0 0 0 0 -24.3440 -5.2980 26.0620 C 0 0 1 0 0 0 0 0 0 0 0 0 -23.1060 -3.2370 24.4570 C 0 0 1 0 0 0 0 0 0 0 0 0 -25.1100 -4.3610 25.1350 C 0 0 1 0 0 0 0 0 0 0 0 0 -26.4780 -4.0590 25.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.8810 -3.6090 25.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5370 -3.9140 24.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 822966 OpenBabel12061010053D 6 5 0 0 0 0 0 0 0 0999 V2000 9.7620 40.5130 -8.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5600 38.8200 -6.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0190 39.7130 -7.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4890 39.8320 -7.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8240 39.3420 -6.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 39.0000 -8.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 M END $$$$ 822980 OpenBabel12061010053D 21 22 0 0 0 0 0 0 0 0999 V2000 -14.7430 85.8210 50.0190 P 0 0 0 0 0 0 0 0 0 0 0 0 -13.7880 89.9390 48.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.0340 87.1090 49.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5290 90.3780 46.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5000 87.5660 46.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1350 93.2630 49.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.1490 86.1570 50.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.0860 85.7100 51.4450 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2300 84.8100 48.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5570 91.0510 49.7340 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.1960 92.8480 51.3580 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.3070 92.3610 53.7140 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.6280 90.7220 48.2190 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.4770 89.8620 47.8650 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.5830 88.6650 47.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0380 88.5010 47.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2910 92.4360 50.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3400 87.4500 48.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7040 90.1800 50.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3730 91.9390 52.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6370 90.5410 52.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 3 18 1 0 0 0 0 5 16 1 0 0 0 0 6 17 2 0 0 0 0 10 17 1 0 0 0 0 10 19 1 0 0 0 0 11 17 1 0 0 0 0 11 20 2 0 0 0 0 12 20 1 0 0 0 0 13 10 1 1 0 0 0 13 14 1 0 0 0 0 14 4 1 6 0 0 0 14 16 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 M END $$$$ 823023 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 51.9810 21.3850 7.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 55.5600 22.3560 9.6970 O 0 0 0 0 0 0 0 0 0 0 0 0 55.5500 22.0490 6.8390 O 0 0 0 0 0 0 0 0 0 0 0 0 53.3420 20.5110 10.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 51.4300 23.4640 9.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 53.5610 21.0100 4.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 54.3560 22.5170 8.9420 C 0 0 1 0 0 0 0 0 0 0 0 0 54.4330 21.6480 7.6600 C 0 0 1 0 0 0 0 0 0 0 0 0 53.1510 21.9660 9.7960 C 0 0 1 0 0 0 0 0 0 0 0 0 53.0920 21.7840 6.8500 C 0 0 1 0 0 0 0 0 0 0 0 0 51.8180 22.1360 8.9770 C 0 0 2 0 0 0 0 0 0 0 0 0 53.0530 20.8180 5.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 6 0 0 0 M END $$$$ 823044 OpenBabel12061010053D 13 12 0 0 0 0 0 0 0 0999 V2000 59.3930 97.0640 11.4610 O 0 0 0 0 0 0 0 0 0 0 0 0 64.1630 97.3630 8.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 59.3330 95.0530 12.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 61.9760 97.5750 9.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 61.9020 99.3350 12.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 62.5040 96.3450 11.8690 N 0 0 0 0 0 0 0 0 0 0 0 0 62.7770 99.0100 14.5390 N 0 0 0 0 0 0 0 0 0 0 0 0 61.3520 95.6660 11.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 63.4180 97.0700 10.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 62.3210 97.0400 13.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 59.9450 95.9890 11.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 63.1950 97.2810 9.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 62.3140 98.5660 13.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 12 2 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 13 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 M END $$$$ 823059 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 55.1310 19.4650 3.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 53.3790 19.3890 -0.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 55.9140 18.7430 0.9250 O 0 0 0 0 0 0 0 0 0 0 0 0 52.8130 21.6250 1.7120 O 0 0 0 0 0 0 0 0 0 0 0 0 53.7300 21.5100 4.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 55.9410 15.8590 2.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 53.5410 19.2630 1.2580 C 0 0 1 0 0 0 0 0 0 0 0 0 54.7370 18.2290 1.5060 C 0 0 2 0 0 0 0 0 0 0 0 0 53.8540 20.6630 1.8940 C 0 0 2 0 0 0 0 0 0 0 0 0 54.8800 18.0960 3.0950 C 0 0 1 0 0 0 0 0 0 0 0 0 54.0490 20.4580 3.4510 C 0 0 1 0 0 0 0 0 0 0 0 0 56.0660 17.1410 3.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 823091 OpenBabel12061010053D 6 5 0 0 0 0 0 0 0 0999 V2000 49.9870 51.4230 51.8130 O 0 0 0 0 0 0 0 0 0 0 0 0 50.5180 53.3980 50.9630 O 0 0 0 0 0 0 0 0 0 0 0 0 52.1620 50.2510 50.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 50.7290 52.1750 51.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 51.9310 51.4600 50.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 52.8390 52.3260 49.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 M END $$$$ 823111 OpenBabel12061010053D 9 8 0 0 0 0 0 0 0 0999 V2000 35.3410 23.3820 8.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 38.1370 25.8260 8.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 31.6520 22.2190 9.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 36.3140 24.2070 9.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 37.0390 24.8770 8.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9570 23.4060 9.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0180 22.3990 8.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 38.9330 26.3680 7.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 39.9530 27.2670 8.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 M END $$$$ 823113 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 26.4720 35.7230 -0.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8120 36.2770 -4.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 28.9470 35.0350 -2.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1110 36.7030 0.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0030 37.6990 -3.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1590 35.7750 -3.2140 N 0 0 0 0 0 0 0 0 0 0 0 0 24.1520 36.1850 -0.2820 N 0 0 0 0 0 0 0 0 0 0 0 0 25.3510 36.1100 -2.4470 C 0 0 2 0 0 0 0 0 0 0 0 0 26.6030 35.5620 -3.1670 C 0 0 2 0 0 0 0 0 0 0 0 0 27.8570 35.6940 -2.3050 C 0 0 1 0 0 0 0 0 0 0 0 0 25.2380 35.5290 -1.0110 C 0 0 1 0 0 0 0 0 0 0 0 0 27.6150 35.0900 -0.9190 C 0 0 1 0 0 0 0 0 0 0 0 0 28.8050 35.2920 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5310 36.7080 -3.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4790 36.5220 -5.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 823119 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 45.5630 38.2520 -4.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 46.0940 36.1530 -4.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 49.1480 33.6180 -6.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 50.0160 34.8230 -8.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 48.2200 38.8450 -4.7890 N 0 0 0 0 0 0 0 0 0 0 0 0 47.5870 37.8610 -5.6700 C 0 0 2 0 0 0 0 0 0 0 0 0 46.2700 37.3800 -5.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 48.5480 36.6870 -5.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 48.1230 35.7080 -6.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 49.1680 34.6390 -7.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 7 1 0 0 0 0 3 10 2 0 0 0 0 4 10 1 0 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 M END $$$$ 823128 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 27.7740 -2.8010 -61.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4240 -5.7650 -63.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0820 -6.4050 -62.5770 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2180 -3.5890 -61.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2250 -3.0590 -60.2510 O 0 0 0 0 0 0 0 0 0 0 0 0 30.0450 -3.3880 -63.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0900 -5.0350 -62.5120 C 0 0 1 0 0 0 0 0 0 0 0 0 27.6000 -5.0830 -62.7710 C 0 0 1 0 0 0 0 0 0 0 0 0 25.5520 -3.5880 -62.4840 C 0 0 2 0 0 0 0 0 0 0 0 0 28.3230 -4.1250 -61.8260 C 0 0 1 0 0 0 0 0 0 0 0 0 26.4130 -2.6940 -61.5900 C 0 0 2 0 0 0 0 0 0 0 0 0 29.8080 -4.0310 -62.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 1 0 0 0 M END $$$$ 823142 OpenBabel12061010053D 9 9 0 0 0 0 0 0 0 0999 V2000 7.7610 51.8320 53.7450 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9860 52.6870 55.7340 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6440 50.3300 55.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4470 51.6850 55.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6780 49.1640 54.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 50.2210 57.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8060 47.9050 55.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8230 48.9580 57.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8130 47.7990 56.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 4 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 8 9 1 0 0 0 0 M END $$$$ 823144 OpenBabel12061010053D 34 38 0 0 0 0 0 0 0 0999 V2000 9.3310 50.3470 52.2770 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1590 48.2550 59.9220 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9880 49.1080 60.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9200 46.8530 60.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8350 51.4570 62.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2300 48.6750 61.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5500 49.6290 62.3750 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9280 49.2200 61.7430 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5550 50.7450 60.2500 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8680 48.4880 58.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4140 49.9330 56.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8400 49.7580 57.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0150 48.8260 55.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4910 47.4070 57.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4700 47.8600 61.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5060 50.1320 61.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7440 50.2240 62.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0570 47.5740 56.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3590 48.1540 62.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3100 50.4480 62.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0790 49.4920 62.4120 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3800 51.1910 55.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5790 48.9800 54.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5570 50.2160 53.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9490 51.3350 54.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1890 50.3120 63.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5410 49.2560 60.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5100 49.5140 63.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9230 48.5390 60.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1520 49.7430 61.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1270 50.2590 62.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4120 49.7340 59.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3340 50.7590 61.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6340 50.2500 59.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 5 17 2 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 33 2 0 0 0 0 9 34 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 22 1 0 0 0 0 13 18 1 0 0 0 0 13 23 1 0 0 0 0 14 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 21 17 1 6 0 0 0 21 26 1 0 0 0 0 21 27 1 0 0 0 0 22 25 2 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 32 34 2 0 0 0 0 M END $$$$ 823152 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 -22.4960 17.5860 14.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 -21.4190 16.0330 12.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 -23.8090 17.1830 12.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.6730 13.8380 13.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 -21.2830 19.3610 15.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.2660 17.9200 17.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 -21.6830 17.1420 15.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.3120 15.4610 13.0850 C 0 0 2 0 0 0 0 0 0 0 0 0 -23.2420 16.5620 13.6140 C 0 0 1 0 0 0 0 0 0 0 0 0 -21.5200 14.9200 14.2370 C 0 0 2 0 0 0 0 0 0 0 0 0 -20.9610 15.9200 15.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.0310 18.1970 16.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 5 12 2 0 0 0 0 6 12 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 2 1 1 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 3 1 6 0 0 0 10 4 1 6 0 0 0 10 11 1 0 0 0 0 M END $$$$ 823153 OpenBabel12061010053D 13 13 0 0 0 0 0 0 0 0999 V2000 -27.1730 18.1000 11.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 -23.8090 17.1830 12.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 -24.3160 19.6560 14.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -27.1070 19.7090 13.8150 O 0 0 0 0 0 0 0 0 0 0 0 0 -28.2520 20.1550 11.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 -25.3540 15.2600 10.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 -27.0310 15.3950 12.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 -25.9170 17.4060 11.4610 C 0 0 1 0 0 0 0 0 0 0 0 0 -25.0970 17.7840 12.6820 C 0 0 2 0 0 0 0 0 0 0 0 0 -24.9440 19.3120 12.7820 C 0 0 1 0 0 0 0 0 0 0 0 0 -26.3120 20.0060 12.6770 C 0 0 1 0 0 0 0 0 0 0 0 0 -27.0270 19.5130 11.4200 C 0 0 1 0 0 0 0 0 0 0 0 0 -26.1280 15.9130 11.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 6 13 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 1 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 11 1 0 0 0 0 11 4 1 1 0 0 0 11 12 1 0 0 0 0 12 5 1 1 0 0 0 M END $$$$ 823163 OpenBabel12061010053D 12 11 0 0 0 0 0 0 0 0999 V2000 0.7270 56.3240 56.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 57.7570 57.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 53.6870 63.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 54.2500 61.7290 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 54.2310 56.7760 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6460 52.8720 63.4090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 55.4570 57.6320 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2310 56.6110 56.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 55.1250 59.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 56.0010 60.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 53.6130 62.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 55.5760 61.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 8 1 0 0 0 0 3 11 2 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 6 11 1 0 0 0 0 7 5 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 M END $$$$ 823175 OpenBabel12061010053D 20 20 0 0 0 0 0 0 0 0999 V2000 38.2580 11.3500 129.5090 S 0 0 0 0 0 0 0 0 0 0 0 0 39.4790 13.0320 130.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 36.9870 10.6420 131.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 38.1520 11.6300 134.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 39.5970 14.0480 134.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 40.7470 15.9820 132.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 38.2140 12.3660 133.1580 C 0 0 2 0 0 0 0 0 0 0 0 0 38.1830 11.4110 131.9570 C 0 0 2 0 0 0 0 0 0 0 0 0 39.5230 13.1590 133.1000 C 0 0 1 0 0 0 0 0 0 0 0 0 38.2640 12.2290 130.6450 C 0 0 2 0 0 0 0 0 0 0 0 0 39.5730 13.9600 131.7740 C 0 0 1 0 0 0 0 0 0 0 0 0 40.8720 14.7460 131.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 37.5830 11.8920 128.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 38.5750 11.9370 127.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 37.8770 11.7510 125.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 38.8680 11.7910 124.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 38.1610 11.6020 123.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 39.1270 11.7790 122.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 38.4410 11.5970 120.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 39.4260 11.7810 119.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 6 12 1 0 0 0 0 7 4 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 5 1 6 0 0 0 9 11 1 0 0 0 0 10 1 1 1 0 0 0 11 12 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 M END $$$$ 823176 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 41.4410 11.3070 152.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.8070 8.8450 153.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 40.3810 10.0200 150.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 41.3890 10.5670 155.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 38.3370 9.8590 151.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 39.6680 11.8450 155.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 40.1100 10.9960 152.4080 C 0 0 2 0 0 0 0 0 0 0 0 0 39.9870 10.0600 153.6600 C 0 0 2 0 0 0 0 0 0 0 0 0 39.6250 10.2230 151.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 40.4500 10.8450 154.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 3 9 2 0 0 0 0 4 10 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 1 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 2 1 6 0 0 0 8 10 1 0 0 0 0 M END $$$$ 823185 OpenBabel12061010053D 20 21 0 0 0 0 0 0 0 0999 V2000 45.5220 19.7250 12.4840 P 0 0 0 0 0 0 0 0 0 0 0 0 46.2360 20.4060 17.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 46.4050 20.1940 13.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 47.0480 17.5130 16.8710 O 0 0 0 0 0 0 0 0 0 0 0 0 43.5480 18.6900 20.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 46.2960 19.2390 11.3570 O 0 0 0 0 0 0 0 0 0 0 0 0 44.7330 18.6290 13.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 44.6980 20.8360 12.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 41.9620 22.9570 21.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 44.4090 20.3930 19.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 42.7750 20.8180 20.7630 N 0 0 0 0 0 0 0 0 0 0 0 0 45.3690 19.5900 18.2560 C 0 0 1 0 0 0 0 0 0 0 0 0 46.6100 19.7800 16.0450 C 0 0 1 0 0 0 0 0 0 0 0 0 46.0160 18.3630 16.2610 C 0 0 2 0 0 0 0 0 0 0 0 0 44.8730 18.4930 17.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 43.5870 19.8540 20.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 45.8760 20.5650 14.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 44.3950 21.7150 18.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 42.7010 22.1940 20.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 43.5750 22.6560 19.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 17 1 0 0 0 0 5 16 2 0 0 0 0 9 19 2 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 11 16 1 0 0 0 0 11 19 1 0 0 0 0 12 10 1 6 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 1 0 0 0 14 4 1 1 0 0 0 14 15 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 M END $$$$ 823188 OpenBabel12061010053D 20 21 0 0 0 0 0 0 0 0999 V2000 45.7100 19.6080 12.9790 P 0 0 0 0 0 0 0 0 0 0 0 0 46.3470 20.4220 17.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 46.6940 19.8260 14.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 46.9600 17.4540 17.5590 O 0 0 0 0 0 0 0 0 0 0 0 0 43.5530 18.6520 20.9690 O 0 0 0 0 0 0 0 0 0 0 0 0 45.0490 20.8400 12.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 46.4080 19.1280 11.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 44.7910 18.5940 13.4630 O 0 0 0 0 0 0 0 0 0 0 0 0 42.1940 23.0250 21.8390 O 0 0 0 0 0 0 0 0 0 0 0 0 44.4630 20.4440 19.6340 N 0 0 0 0 0 0 0 0 0 0 0 0 42.8800 20.8290 21.3920 N 0 0 0 0 0 0 0 0 0 0 0 0 45.3690 19.6420 18.7330 C 0 0 1 0 0 0 0 0 0 0 0 0 46.8190 19.7260 16.6450 C 0 0 1 0 0 0 0 0 0 0 0 0 46.0880 18.3710 16.8200 C 0 0 2 0 0 0 0 0 0 0 0 0 44.8440 18.6420 17.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 43.6370 19.8650 20.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 46.3230 20.5240 15.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 44.5060 21.7740 19.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 42.8760 22.2420 21.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 43.7500 22.7120 20.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 17 1 0 0 0 0 5 16 2 0 0 0 0 9 19 2 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 11 16 1 0 0 0 0 11 19 1 0 0 0 0 12 10 1 6 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 1 0 0 0 14 4 1 1 0 0 0 14 15 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 M END $$$$ 823189 OpenBabel12061010053D 24 25 0 0 0 0 0 0 0 0999 V2000 24.7810 5.3000 61.2150 Cl 0 0 0 0 0 0 0 0 0 0 0 0 27.8710 10.3760 63.7640 Cl 0 0 0 0 0 0 0 0 0 0 0 0 24.6900 10.6700 62.8670 Cl 0 0 0 0 0 0 0 0 0 0 0 0 30.4170 4.8700 60.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7220 5.3810 62.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 30.7660 4.7850 58.6940 N 0 0 0 0 0 0 0 0 0 0 0 0 30.5480 5.7470 56.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 31.9850 3.9400 56.8460 N 0 0 0 0 0 0 0 0 0 0 0 0 32.3180 3.0840 58.9980 N 0 0 0 0 0 0 0 0 0 0 0 0 31.6080 4.6510 54.6600 N 0 0 0 0 0 0 0 0 0 0 0 0 30.3080 5.9460 57.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6900 3.9340 58.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3780 4.7780 55.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0030 6.6120 62.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6040 6.7080 61.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8220 6.1770 58.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0690 7.1920 58.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9610 9.0120 63.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5680 9.1280 62.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6590 7.7680 62.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8780 7.9660 62.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8470 3.6280 60.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8610 3.9610 62.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1690 5.4060 62.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 18 1 0 0 0 0 3 19 1 0 0 0 0 4 6 1 0 0 0 0 4 22 1 0 0 0 0 5 14 1 0 0 0 0 5 24 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 11 1 0 0 0 0 7 13 2 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 M END $$$$ 823197 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 6.8740 42.9210 35.9700 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1070 42.0970 36.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1610 42.3000 35.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0720 43.2640 34.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5900 47.2020 41.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4960 45.5060 38.7080 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2690 44.4530 36.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1260 44.2120 38.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2520 46.2890 39.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3810 45.1390 39.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7620 47.5840 39.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7890 46.4370 40.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 M END $$$$ 823223 OpenBabel12061010053D 13 13 0 0 0 0 0 0 0 0999 V2000 78.1500 47.5210 32.7830 O 0 0 0 0 0 0 0 0 0 0 0 0 77.2740 46.4910 34.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 74.6160 45.6800 31.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 75.3420 48.2630 32.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 77.0640 45.0190 30.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 79.4490 48.0910 30.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 75.8600 45.8970 32.1940 C 0 0 2 0 0 0 0 0 0 0 0 0 75.7620 47.1110 33.1330 C 0 0 1 0 0 0 0 0 0 0 0 0 76.9560 46.1380 31.1700 C 0 0 1 0 0 0 0 0 0 0 0 0 77.1170 47.3660 33.8390 C 0 0 2 0 0 0 0 0 0 0 0 0 78.2820 46.3880 31.8880 C 0 0 1 0 0 0 0 0 0 0 0 0 79.3880 46.6940 30.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 78.0230 45.2980 35.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 13 1 0 0 0 0 6 12 1 0 0 0 0 7 3 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 4 1 6 0 0 0 8 10 1 0 0 0 0 9 5 1 1 0 0 0 9 11 1 0 0 0 0 10 2 1 6 0 0 0 11 12 1 6 0 0 0 M END $$$$ 823231 OpenBabel12061010053D 52 54 0 0 0 0 0 0 0 0999 V2000 44.8880 121.9220 118.5410 O 0 0 0 0 0 0 0 0 0 0 0 0 47.2170 122.2360 121.6810 O 0 0 0 0 0 0 0 0 0 0 0 0 44.9530 124.5430 117.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 48.0440 124.2800 122.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 45.5270 124.5790 124.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 46.7720 121.9610 117.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 51.7560 123.5960 120.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 45.8930 128.1560 124.9590 O 0 0 0 0 0 0 0 0 0 0 0 0 49.7900 124.6900 119.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 47.0060 127.5940 122.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 47.2270 123.2030 125.1190 O 0 0 0 0 0 0 0 0 0 0 0 0 45.0320 119.0040 118.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 45.7410 128.7790 120.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 46.5470 117.8180 116.2670 N 0 0 0 0 0 0 0 0 0 0 0 0 45.1320 122.9640 119.5010 C 0 0 1 0 0 0 0 0 0 0 0 0 44.3350 124.1680 118.9280 C 0 0 1 0 0 0 0 0 0 0 0 0 44.8440 122.3380 120.8980 C 0 0 2 0 0 0 0 0 0 0 0 0 45.8750 122.7210 121.9030 C 0 0 1 0 0 0 0 0 0 0 0 0 50.5300 123.9820 121.3860 C 0 0 1 0 0 0 0 0 0 0 0 0 45.4800 122.4950 123.4220 C 0 0 2 0 0 0 0 0 0 0 0 0 48.3560 122.9130 122.1940 C 0 0 2 0 0 0 0 0 0 0 0 0 44.7080 125.3740 119.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 45.4780 126.9670 124.3210 C 0 0 1 0 0 0 0 0 0 0 0 0 46.0300 121.0920 118.2400 C 0 0 2 0 0 0 0 0 0 0 0 0 49.6930 124.9300 120.5240 C 0 0 2 0 0 0 0 0 0 0 0 0 45.7010 127.0250 122.8030 C 0 0 1 0 0 0 0 0 0 0 0 0 44.4810 126.8750 119.4010 C 0 0 2 0 0 0 0 0 0 0 0 0 49.6170 122.7060 121.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 46.2170 123.4150 124.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 46.2350 125.7000 124.9000 C 0 0 1 0 0 0 0 0 0 0 0 0 45.6470 119.8250 117.5070 C 0 0 1 0 0 0 0 0 0 0 0 0 44.6370 127.6910 121.8880 C 0 0 2 0 0 0 0 0 0 0 0 0 45.0460 127.8360 120.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 48.1950 124.8180 120.8150 C 0 0 2 0 0 0 0 0 0 0 0 0 46.8790 119.1050 116.8860 C 0 0 2 0 0 0 0 0 0 0 0 0 42.7820 124.0420 118.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 44.3190 120.8600 120.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 47.9510 121.3130 116.8690 C 0 0 1 0 0 0 0 0 0 0 0 0 47.5550 120.1330 115.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 51.0490 124.3000 122.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 45.6400 120.9860 123.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 43.9430 126.6740 124.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 46.3490 125.7190 126.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 43.0800 127.3880 118.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 43.9870 124.7920 116.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 44.2080 129.1410 122.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 47.4970 126.1700 120.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 48.6660 122.3280 115.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 52.6960 124.6410 121.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 47.7160 116.9360 116.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 45.6870 117.7630 115.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 47.1190 124.6100 126.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 3 45 1 0 0 0 0 4 21 1 0 0 0 0 4 34 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 24 1 0 0 0 0 6 38 1 0 0 0 0 7 49 1 0 0 0 0 11 29 2 0 0 0 0 13 33 2 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 1 1 1 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 3 1 6 0 0 0 16 22 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 6 0 0 0 18 2 1 1 0 0 0 18 20 1 0 0 0 0 19 7 1 6 0 0 0 19 25 1 0 0 0 0 19 28 1 0 0 0 0 19 40 1 0 0 0 0 20 29 1 0 0 0 0 20 41 1 6 0 0 0 21 2 1 6 0 0 0 21 28 1 0 0 0 0 22 27 1 0 0 0 0 23 8 1 1 0 0 0 23 26 1 0 0 0 0 23 30 1 0 0 0 0 23 42 1 0 0 0 0 24 1 1 6 0 0 0 24 31 1 0 0 0 0 25 9 1 6 0 0 0 25 34 1 0 0 0 0 26 10 1 1 0 0 0 26 32 1 0 0 0 0 27 33 1 0 0 0 0 27 44 1 1 0 0 0 30 43 1 1 0 0 0 31 12 1 1 0 0 0 31 35 1 0 0 0 0 32 33 1 0 0 0 0 32 46 1 6 0 0 0 34 47 1 1 0 0 0 35 14 1 6 0 0 0 35 39 1 0 0 0 0 38 39 1 0 0 0 0 38 48 1 6 0 0 0 43 52 1 0 0 0 0 M END $$$$ 823268 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 34.6380 3.4030 -16.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 34.7580 6.0320 -19.4450 O 0 0 0 0 0 0 0 0 0 0 0 0 33.3320 6.7310 -17.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 34.6400 3.2210 -19.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 36.1620 2.0000 -17.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 31.8340 4.5050 -15.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 35.0500 5.4310 -18.1970 C 0 0 1 0 0 0 0 0 0 0 0 0 33.8040 5.4090 -17.3120 C 0 0 1 0 0 0 0 0 0 0 0 0 35.5810 4.0000 -18.3930 C 0 0 1 0 0 0 0 0 0 0 0 0 34.1990 4.7670 -15.9820 C 0 0 1 0 0 0 0 0 0 0 0 0 35.8320 3.3380 -17.0240 C 0 0 1 0 0 0 0 0 0 0 0 0 33.1360 4.7550 -14.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 823274 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 17.4680 30.5760 -21.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3640 33.5900 -22.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4150 33.1090 -24.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2850 31.0480 -21.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0760 30.4200 -19.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1840 29.2470 -24.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1340 32.9420 -22.1140 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6130 32.1750 -23.3150 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2560 32.0210 -20.8880 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2900 31.4410 -22.9690 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8990 31.3110 -20.6240 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7390 30.5940 -24.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 823275 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 14.3990 29.9580 -12.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0760 33.6720 -14.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8050 31.6390 -15.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2570 29.9880 -12.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5530 34.6230 -12.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8360 32.5810 -13.1420 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4600 30.3260 -11.4770 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1660 32.0120 -13.0550 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9130 32.2680 -14.3680 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2810 31.5650 -14.3810 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0810 30.5030 -12.7700 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1110 30.0720 -13.9630 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4060 29.3150 -13.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6330 33.8470 -12.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1870 34.3190 -12.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 823283 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 12.4180 13.3830 59.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8170 12.2100 62.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4280 13.3430 59.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5780 14.6380 60.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3690 13.3730 57.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1510 14.7370 64.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2410 13.4090 62.8940 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7220 13.4010 61.5270 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8570 12.1820 61.3210 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2980 12.2200 59.8750 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8380 13.4510 60.5540 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5430 12.2480 58.8580 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2810 12.3210 57.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2480 14.5200 63.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1160 15.5260 63.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 8 7 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 4 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 823287 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 34.7730 27.0030 50.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 38.6190 26.6210 49.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 38.1100 28.5310 51.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 34.6290 29.7150 51.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 35.5880 24.0200 47.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 36.8510 24.3160 49.3440 N 0 0 0 0 0 0 0 0 0 0 0 0 34.0320 25.0380 49.7560 N 0 0 0 0 0 0 0 0 0 0 0 0 36.4020 25.6740 49.5830 C 0 0 2 0 0 0 0 0 0 0 0 0 37.5430 26.4680 50.2430 C 0 0 2 0 0 0 0 0 0 0 0 0 37.0560 27.8460 50.6940 C 0 0 1 0 0 0 0 0 0 0 0 0 35.1320 25.6660 50.4670 C 0 0 1 0 0 0 0 0 0 0 0 0 35.8240 27.6760 51.5900 C 0 0 1 0 0 0 0 0 0 0 0 0 35.2540 28.9890 52.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 36.2300 23.5550 48.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3280 22.0510 48.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 823315 OpenBabel12061010053D 31 33 0 0 0 0 0 0 0 0999 V2000 12.0030 -7.3730 36.4000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.9730 -0.2610 38.7590 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3400 0.0230 41.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6850 -2.8910 38.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5380 -1.9120 36.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4770 -6.2170 37.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7880 -3.8320 38.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3170 -8.3950 37.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2530 -6.9580 35.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9180 -7.8420 35.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5330 -0.9040 37.0970 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6720 -0.8130 36.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9660 -0.4370 39.4660 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7220 -0.1560 40.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5390 -0.6470 38.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0990 -1.0970 35.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1530 -0.6200 37.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6580 -1.0340 35.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1970 -0.3510 38.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 -1.3220 34.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9370 -0.9490 37.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 -1.1950 34.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0350 -0.1810 40.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5330 -1.4700 33.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0720 -1.4040 33.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4300 -2.3780 37.6230 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9350 -2.4240 37.8400 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3520 -3.9110 38.1190 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6050 -1.6920 32.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4340 -1.5500 31.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0220 -4.8860 37.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 19 2 0 0 0 0 3 23 2 0 0 0 0 6 31 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 19 1 0 0 0 0 14 23 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 17 19 1 0 0 0 0 18 22 2 0 0 0 0 20 24 1 0 0 0 0 22 25 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 26 21 1 1 0 0 0 26 4 1 0 0 0 0 26 27 1 0 0 0 0 27 5 1 6 0 0 0 27 28 1 0 0 0 0 28 7 1 6 0 0 0 28 31 1 0 0 0 0 M CHG 1 11 1 M END $$$$ 823361 OpenBabel12061010053D 14 13 0 0 0 0 0 0 0 0999 V2000 29.5030 -3.4700 19.2670 P 0 0 0 0 0 0 0 0 0 0 0 0 28.5650 -2.1640 19.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 30.7990 -3.2330 18.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6940 -4.5760 18.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 29.7260 -3.6860 20.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3500 -0.3380 20.9750 O 0 0 0 0 0 0 0 0 0 0 0 0 28.9220 1.9400 18.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2600 4.2800 20.9470 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4090 4.6360 18.8890 N 0 0 0 0 0 0 0 0 0 0 0 0 27.9440 0.0790 19.7640 C 0 0 2 0 0 0 0 0 0 0 0 0 29.1140 -0.8790 19.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2840 1.5930 19.8190 C 0 0 2 0 0 0 0 0 0 0 0 0 27.0040 2.4500 19.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2280 3.9560 20.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 11 1 0 0 0 0 8 14 2 0 0 0 0 9 14 1 0 0 0 0 10 6 1 1 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 7 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 M END $$$$ 823399 OpenBabel12061010053D 19 21 0 0 0 0 0 0 0 0999 V2000 -3.9510 -29.8780 127.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 -27.7700 126.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7140 -26.7630 126.4920 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6630 -31.0440 125.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 -31.3820 126.6640 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0980 -33.6590 126.7160 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 -31.0100 124.6000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 -33.0920 123.5670 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 -35.2130 124.4850 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 -29.9340 127.1800 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4160 -31.8120 125.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 -28.7210 126.2540 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4160 -33.2130 125.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 -28.0270 125.7630 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4860 -29.0680 126.1110 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5000 -32.5500 127.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -33.8830 124.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8330 -29.9920 124.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 -31.7420 123.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 4 18 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 6 13 1 0 0 0 0 6 16 2 0 0 0 0 7 11 2 0 0 0 0 7 19 1 0 0 0 0 8 17 1 0 0 0 0 8 19 2 0 0 0 0 9 17 1 0 0 0 0 10 5 1 6 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 2 1 1 0 0 0 12 14 1 0 0 0 0 13 17 2 0 0 0 0 14 3 1 1 0 0 0 14 15 1 0 0 0 0 15 18 1 6 0 0 0 M END $$$$ 823414 OpenBabel12061010053D 13 12 0 0 0 0 0 0 0 0999 V2000 38.9460 56.7680 71.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 36.2770 56.2980 70.5750 O 0 0 0 0 0 0 0 0 0 0 0 0 35.8950 55.0980 72.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 39.6740 52.5110 71.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 40.1910 58.0950 73.8160 O 0 0 0 0 0 0 0 0 0 0 0 0 38.4170 53.8370 69.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 40.2280 56.1470 74.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 38.2280 55.9790 72.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 36.6800 55.7760 71.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 38.9910 54.5840 72.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 38.4050 56.7060 73.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0280 53.5830 70.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 39.7150 57.0150 74.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 9 2 0 0 0 0 3 9 1 0 0 0 0 4 12 2 0 0 0 0 5 13 2 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 M END $$$$ 823459 OpenBabel12061010053D 14 13 0 0 0 0 0 0 0 0999 V2000 51.0700 4.0180 1.6640 O 0 0 0 0 0 0 0 0 0 0 0 0 52.5620 1.4900 3.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 49.9410 -0.1510 1.9830 O 0 0 0 0 0 0 0 0 0 0 0 0 51.3040 1.7810 2.6250 C 0 0 1 0 0 0 0 0 0 0 0 0 51.9170 2.8210 1.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 51.2760 0.4530 1.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 51.6450 5.0070 0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 50.7150 6.2230 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 51.2710 7.2500 -0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 50.2790 8.4160 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 50.7980 9.4610 -1.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 49.7750 10.5930 -1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 50.2770 11.6540 -2.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 49.2350 12.7740 -2.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 3 6 1 0 0 0 0 4 2 1 6 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 M END $$$$ 823464 OpenBabel12061010053D 10 10 0 0 0 0 0 0 0 0999 V2000 2.6090 26.2730 14.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8280 28.3360 16.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 30.2280 15.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 28.4330 13.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 27.0770 13.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 28.9830 14.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 29.2330 12.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 26.5250 12.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7330 28.7390 11.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 27.2670 11.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 6 2 0 0 0 0 3 6 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 2 0 0 0 0 9 10 1 0 0 0 0 M END $$$$ 823500 OpenBabel12061010053D 23 25 0 0 0 0 0 0 0 0999 V2000 59.4910 39.3190 6.0730 P 0 0 0 0 0 0 0 0 0 0 0 0 57.5830 40.3420 9.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 55.8260 38.2870 11.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 58.4990 38.2990 11.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 58.1780 39.5610 6.9770 O 0 0 0 0 0 0 0 0 0 0 0 0 60.5070 39.1920 7.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 59.2360 37.9900 5.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 59.6590 40.5330 5.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 56.6830 40.8120 11.8660 N 0 0 0 0 0 0 0 0 0 0 0 0 56.3180 41.4560 14.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 56.4810 40.1870 10.5310 C 0 0 2 0 0 0 0 0 0 0 0 0 56.2990 38.6740 10.6020 C 0 0 1 0 0 0 0 0 0 0 0 0 57.7230 41.6680 12.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 57.7290 38.1270 10.4440 C 0 0 1 0 0 0 0 0 0 0 0 0 58.1750 39.0420 9.3310 C 0 0 1 0 0 0 0 0 0 0 0 0 57.4710 42.0880 13.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 55.9090 40.7100 12.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 58.8470 42.1540 11.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 57.7560 38.5880 7.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 58.2970 43.0130 14.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 59.4050 43.5000 13.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 59.6760 43.0750 12.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 60.3190 44.5080 14.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 11 1 0 0 0 0 2 15 1 0 0 0 0 5 19 1 0 0 0 0 9 13 1 0 0 0 0 9 17 1 0 0 0 0 10 16 1 0 0 0 0 10 17 2 0 0 0 0 11 9 1 1 0 0 0 11 12 1 0 0 0 0 12 3 1 1 0 0 0 12 14 1 0 0 0 0 13 16 2 0 0 0 0 13 18 1 0 0 0 0 14 4 1 1 0 0 0 14 15 1 0 0 0 0 15 19 1 6 0 0 0 16 20 1 0 0 0 0 18 22 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 M END $$$$ 823506 OpenBabel12061010053D 23 25 0 0 0 0 0 0 0 0999 V2000 59.2540 39.3400 6.0910 P 0 0 0 0 0 0 0 0 0 0 0 0 57.4360 40.2710 9.5920 O 0 0 0 0 0 0 0 0 0 0 0 0 55.4790 38.3620 11.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 58.1060 38.0070 11.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 57.9250 39.6060 6.9470 O 0 0 0 0 0 0 0 0 0 0 0 0 60.2630 44.0760 14.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 60.3910 39.1940 7.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 59.0910 38.0840 5.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 59.5410 40.4840 5.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 56.5900 40.8540 11.8950 N 0 0 0 0 0 0 0 0 0 0 0 0 56.3240 41.4500 14.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 58.2990 42.8590 14.3350 N 0 0 0 0 0 0 0 0 0 0 0 0 59.6380 42.9050 12.2840 N 0 0 0 0 0 0 0 0 0 0 0 0 56.3260 40.2450 10.5340 C 0 0 2 0 0 0 0 0 0 0 0 0 57.6450 41.6460 12.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 55.9760 38.7570 10.5810 C 0 0 1 0 0 0 0 0 0 0 0 0 57.8610 38.9090 9.2510 C 0 0 1 0 0 0 0 0 0 0 0 0 57.3000 38.0290 10.3500 C 0 0 1 0 0 0 0 0 0 0 0 0 57.4830 42.0500 13.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 55.8330 40.7580 13.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 58.7900 42.0890 11.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 57.4120 38.5830 7.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 59.3680 43.2430 13.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 14 1 0 0 0 0 2 17 1 0 0 0 0 5 22 1 0 0 0 0 6 23 2 0 0 0 0 10 15 1 0 0 0 0 10 20 1 0 0 0 0 11 19 1 0 0 0 0 11 20 2 0 0 0 0 12 19 1 0 0 0 0 12 23 1 0 0 0 0 13 21 2 0 0 0 0 13 23 1 0 0 0 0 14 10 1 1 0 0 0 14 16 1 0 0 0 0 15 19 2 0 0 0 0 15 21 1 0 0 0 0 16 3 1 1 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 6 0 0 0 18 4 1 1 0 0 0 M END $$$$ 823510 OpenBabel12061010053D 9 9 0 0 0 0 0 0 0 0999 V2000 50.3750 38.5370 8.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 49.7310 39.5580 6.7690 O 0 0 0 0 0 0 0 0 0 0 0 0 54.3140 39.8750 8.1180 N 0 0 0 0 0 0 0 0 0 0 0 0 52.0660 39.7590 7.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 50.6440 39.2580 7.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 53.0440 39.4170 8.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 52.3750 40.5530 6.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 53.7220 40.9560 6.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 54.7290 40.6690 7.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 M END $$$$ 823522 OpenBabel12061010053D 29 30 0 0 0 0 0 0 0 0999 V2000 -14.8400 19.4710 88.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4250 19.3390 85.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.2360 16.5560 87.7860 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4130 15.2130 87.4910 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3120 18.4160 88.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1040 18.5830 83.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6920 16.8580 84.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.0200 14.5550 83.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4410 8.1630 86.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4390 16.0820 87.4390 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.6660 15.2950 85.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.8170 11.9720 83.3030 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.8100 18.4680 88.0650 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.2700 17.2610 86.4440 C 0 0 2 0 0 0 0 0 0 0 0 0 -13.5480 18.1200 86.5410 C 0 0 2 0 0 0 0 0 0 0 0 0 -14.3000 17.1760 88.6640 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.0010 16.7390 85.0510 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.0710 16.3050 88.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5480 19.0000 88.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9020 17.4970 84.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1300 14.3570 84.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4510 12.9350 84.3630 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.9110 12.9820 84.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2500 11.6660 84.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0010 10.6990 85.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9090 11.4060 84.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0380 9.3050 85.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3870 9.5550 86.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3090 10.2200 84.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 4 10 1 0 0 0 0 5 19 1 0 0 0 0 6 20 2 0 0 0 0 7 20 1 0 0 0 0 8 21 2 0 0 0 0 9 27 1 0 0 0 0 10 18 1 0 0 0 0 11 21 1 0 0 0 0 13 1 1 1 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 14 10 1 6 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 2 1 1 0 0 0 16 3 1 6 0 0 0 16 18 1 0 0 0 0 17 11 1 1 0 0 0 17 20 1 0 0 0 0 22 21 1 6 0 0 0 22 12 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 28 1 0 0 0 0 26 29 2 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M END $$$$ 823545 OpenBabel12061010053D 22 23 0 0 0 0 0 0 0 0999 V2000 -19.2470 1.8320 10.2510 P 0 0 0 0 0 0 0 0 0 0 0 0 -19.3020 1.2530 14.8970 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.8450 0.9770 15.9490 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.7390 1.6230 11.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.9720 3.5060 15.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.2530 -1.3150 13.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.6280 -0.1700 18.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.9650 -4.6140 16.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.7560 1.8630 10.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.6140 0.6430 9.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.6870 3.1380 9.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.4450 -0.7460 16.0770 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.6180 -3.0170 15.3710 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.2380 0.7480 15.7480 C 0 0 1 0 0 0 0 0 0 0 0 0 -16.9100 1.0880 15.0980 C 0 0 1 0 0 0 0 0 0 0 0 0 -18.6740 2.4470 14.1330 C 0 0 1 0 0 0 0 0 0 0 0 0 -17.2000 2.4860 14.4840 C 0 0 1 0 0 0 0 0 0 0 0 0 -18.4340 -1.6770 15.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.6240 -1.1160 17.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.1830 2.5790 12.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.8120 -2.4180 17.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.8050 -3.4110 16.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 9 2 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 4 20 1 0 0 0 0 6 18 2 0 0 0 0 7 19 2 0 0 0 0 8 22 2 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 13 18 1 0 0 0 0 13 22 1 0 0 0 0 14 12 1 6 0 0 0 14 15 1 0 0 0 0 15 3 1 1 0 0 0 15 17 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 6 0 0 0 17 5 1 1 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 M END $$$$ 823611 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 33.7080 -7.5890 28.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 31.5720 -5.8000 31.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 34.3210 -6.3610 31.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 31.0820 -7.4460 29.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 32.3330 -7.3940 26.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 34.7220 -9.6070 29.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 32.5250 -5.8150 30.2770 C 0 0 1 0 0 0 0 0 0 0 0 0 33.5530 -6.8750 30.6420 C 0 0 1 0 0 0 0 0 0 0 0 0 31.7880 -6.2510 28.9820 C 0 0 1 0 0 0 0 0 0 0 0 0 34.4550 -7.2190 29.4740 C 0 0 1 0 0 0 0 0 0 0 0 0 32.8050 -6.5610 27.8430 C 0 0 1 0 0 0 0 0 0 0 0 0 35.3680 -8.3550 29.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 823621 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 54.0040 34.8160 30.3640 P 0 0 0 0 0 0 0 0 0 0 0 0 52.8690 33.7800 29.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 48.6740 33.4860 34.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 53.9720 34.9520 31.9470 O 0 0 0 0 0 0 0 0 0 0 0 0 53.6170 36.2430 29.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 55.4520 34.3410 29.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 48.3460 35.4300 32.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 51.6790 31.5910 33.2150 N 0 0 0 0 0 0 0 0 0 0 0 0 51.2920 33.4080 31.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 50.1580 33.8120 32.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 49.7770 33.0990 33.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 50.5410 31.9890 33.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 51.6680 34.2150 30.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 52.0730 32.2930 32.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 49.3490 35.0500 31.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 50.1450 31.2280 35.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 7 15 2 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 M END $$$$ 823660 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 49.3890 71.4440 66.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 51.7470 74.9530 66.7650 O 0 0 0 0 0 0 0 0 0 0 0 0 52.6980 72.4250 67.6980 O 0 0 0 0 0 0 0 0 0 0 0 0 50.6890 68.8530 66.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 49.7980 76.5800 66.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 49.3890 74.9570 64.9830 N 0 0 0 0 0 0 0 0 0 0 0 0 49.5740 72.1700 64.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 49.6590 73.8730 65.9220 C 0 0 2 0 0 0 0 0 0 0 0 0 51.1870 73.7300 66.2500 C 0 0 2 0 0 0 0 0 0 0 0 0 51.3420 72.5780 67.2730 C 0 0 1 0 0 0 0 0 0 0 0 0 49.1040 72.5100 65.3960 C 0 0 2 0 0 0 0 0 0 0 0 0 50.8140 71.2960 66.5820 C 0 0 1 0 0 0 0 0 0 0 0 0 51.0190 69.9720 67.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 49.4850 76.2370 65.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 49.1870 77.3170 64.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 823687 OpenBabel12061010053D 11 11 0 0 0 0 0 0 0 0999 V2000 15.0550 12.6470 18.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7440 14.9650 15.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4470 15.4370 21.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8310 17.3850 20.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8940 14.3500 19.1940 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3920 13.8050 16.9510 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9110 15.3470 19.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1780 13.5310 18.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3810 14.7950 16.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1700 15.5880 18.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7180 16.1350 20.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 9 2 0 0 0 0 3 11 2 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 9 10 1 0 0 0 0 M END $$$$ 823692 OpenBabel12061010053D 34 37 0 0 0 0 0 0 0 0999 V2000 41.3790 13.2510 15.3570 O 0 0 0 0 0 0 0 0 0 0 0 0 43.6010 11.3710 13.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 41.1010 10.7370 13.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 37.1380 11.0320 20.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 34.8250 10.2650 21.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 40.6810 9.1020 21.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 35.8180 5.9400 23.9230 O 0 0 0 0 0 0 0 0 0 0 0 0 37.9650 5.8920 24.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 43.5920 14.1490 15.1510 N 0 0 0 0 0 0 0 0 0 0 0 0 45.1040 14.8470 16.6950 N 0 0 0 0 0 0 0 0 0 0 0 0 43.6790 16.1770 13.7150 N 0 0 0 0 0 0 0 0 0 0 0 0 45.1720 17.8610 14.5270 N 0 0 0 0 0 0 0 0 0 0 0 0 46.5060 17.5560 16.4370 N 0 0 0 0 0 0 0 0 0 0 0 0 36.9410 6.4070 23.6880 N 0 0 0 0 0 0 0 0 0 0 0 0 39.6310 10.5720 20.1280 N 0 0 0 0 0 0 0 0 0 0 0 0 42.5830 13.2320 14.5600 C 0 0 1 0 0 0 0 0 0 0 0 0 44.0220 15.4160 14.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 44.9500 15.8050 15.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 43.0580 11.7530 14.6210 C 0 0 1 0 0 0 0 0 0 0 0 0 41.7760 10.9630 14.8470 C 0 0 1 0 0 0 0 0 0 0 0 0 40.9620 11.9020 15.7080 C 0 0 1 0 0 0 0 0 0 0 0 0 44.2900 13.8680 16.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 45.5500 17.0940 15.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 41.3060 11.6990 17.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 44.2500 17.3810 13.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 38.3330 9.1820 21.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1450 9.9130 21.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 37.0220 7.6310 22.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9120 9.5000 21.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 39.6220 9.5860 21.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 38.2630 8.0290 22.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 40.4570 11.1020 17.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8390 8.3520 22.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 40.8120 10.9250 19.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 21 1 0 0 0 0 4 27 1 0 0 0 0 5 29 1 0 0 0 0 6 30 2 0 0 0 0 7 14 2 0 0 0 0 8 14 2 0 0 0 0 9 17 1 0 0 0 0 9 22 1 0 0 0 0 10 18 1 0 0 0 0 10 22 2 0 0 0 0 11 17 1 0 0 0 0 11 25 2 0 0 0 0 12 23 2 0 0 0 0 12 25 1 0 0 0 0 13 23 1 0 0 0 0 14 28 1 0 0 0 0 15 30 1 0 0 0 0 15 34 1 0 0 0 0 16 9 1 1 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 18 23 1 0 0 0 0 19 2 1 6 0 0 0 19 20 1 0 0 0 0 20 3 1 6 0 0 0 20 21 1 0 0 0 0 21 24 1 1 0 0 0 24 32 2 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 26 31 1 0 0 0 0 27 29 1 0 0 0 0 28 31 2 0 0 0 0 28 33 1 0 0 0 0 29 33 2 0 0 0 0 32 34 1 0 0 0 0 M END $$$$ 823719 OpenBabel12061010053D 8 7 0 0 0 0 0 0 0 0999 V2000 2.9210 -3.6570 9.7040 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3210 -5.8560 5.8820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 -3.6310 7.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 -7.5520 7.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 -3.8910 8.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0780 -6.3950 6.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 -4.5200 7.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1720 -5.7420 7.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 2 6 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 8 2 0 0 0 0 M END $$$$ 823724 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 -34.1930 95.0230 54.3960 P 0 0 0 0 0 0 0 0 0 0 0 0 -33.9360 94.0410 55.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 -35.0000 90.5270 59.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 -35.3960 94.5650 53.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 -34.1200 96.4120 54.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 -32.8980 94.7400 53.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 -31.7530 91.0840 58.1960 N 0 0 0 0 0 0 0 0 0 0 0 0 -36.5500 92.4000 58.3100 N 0 0 0 0 0 0 0 0 0 0 0 0 -33.4310 91.9120 56.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -34.4080 91.5110 57.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -34.0410 90.8960 58.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -32.7060 90.6880 59.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -33.8050 92.6260 55.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -32.1130 91.6960 57.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -35.8700 91.8470 57.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -32.2770 90.0960 60.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 M END $$$$ 823726 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 37.0680 34.6220 67.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 33.8510 33.0550 69.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 36.0900 34.3610 70.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 35.8330 32.0470 67.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 36.0460 34.0900 65.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 39.1520 34.1090 68.9550 O 0 0 0 0 0 0 0 0 0 0 0 0 34.8340 33.7260 68.6750 C 0 0 1 0 0 0 0 0 0 0 0 0 36.2150 33.9310 69.3420 C 0 0 1 0 0 0 0 0 0 0 0 0 35.0350 33.2100 67.2250 C 0 0 1 0 0 0 0 0 0 0 0 0 36.9560 34.9970 68.5190 C 0 0 1 0 0 0 0 0 0 0 0 0 35.7910 34.3600 66.4990 C 0 0 1 0 0 0 0 0 0 0 0 0 38.3540 35.3060 69.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 823759 OpenBabel12061010053D 26 28 0 0 0 0 0 0 0 0999 V2000 -1.5140 9.0790 24.0690 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8650 7.7510 20.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3700 4.5020 21.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2500 6.3550 23.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6690 11.6640 27.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1050 13.5790 26.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5990 6.1880 18.9540 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8870 5.3950 16.9150 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9140 6.6110 18.3780 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4450 6.0840 16.1240 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9480 5.2510 14.6280 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4160 12.7700 24.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 6.6220 20.3610 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6720 6.2010 18.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3650 5.5910 21.2910 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2430 5.7310 16.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 6.3470 22.5620 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8580 7.7600 22.0620 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5000 5.6980 18.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2100 5.6840 15.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 8.3570 22.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7110 6.5130 17.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6970 10.4130 23.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1610 11.0080 25.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4990 11.7410 25.0330 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8870 12.3430 26.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 23 1 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 5 26 2 0 0 0 0 6 26 1 0 0 0 0 7 14 1 0 0 0 0 7 19 1 0 0 0 0 8 16 1 0 0 0 0 8 19 2 0 0 0 0 9 14 2 0 0 0 0 9 22 1 0 0 0 0 10 20 1 0 0 0 0 10 22 2 0 0 0 0 11 20 1 0 0 0 0 13 7 1 6 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 3 1 1 0 0 0 15 17 1 0 0 0 0 16 20 2 0 0 0 0 17 4 1 6 0 0 0 17 18 1 0 0 0 0 18 21 1 6 0 0 0 23 24 1 0 0 0 0 25 24 1 1 0 0 0 25 12 1 0 0 0 0 25 26 1 0 0 0 0 M END $$$$ 823797 OpenBabel12061010053D 21 22 0 0 0 0 0 0 0 0999 V2000 18.5410 20.3570 28.6830 S 0 0 0 0 0 0 0 0 0 0 0 0 14.9130 23.7460 26.2360 P 0 0 0 0 0 0 0 0 0 0 0 0 15.3500 20.4510 29.9820 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2980 22.5650 27.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0340 22.9820 31.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9270 20.6770 33.4170 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1800 17.1210 31.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7580 24.4520 25.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7010 24.6040 27.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7010 23.0800 25.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4440 20.3080 31.1390 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9160 18.9650 32.4390 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1000 20.9510 31.0840 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6190 21.5560 29.3630 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9540 22.8230 30.1870 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7010 19.5890 29.7990 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9020 19.9510 32.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3130 22.4230 30.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4710 18.2110 30.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1770 18.1070 31.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1660 21.7450 27.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 2 8 2 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 21 1 0 0 0 0 6 17 2 0 0 0 0 7 20 2 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 17 1 0 0 0 0 12 20 1 0 0 0 0 13 11 1 6 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 1 0 0 0 15 5 1 1 0 0 0 15 18 1 0 0 0 0 16 1 1 1 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 M END $$$$ 823832 OpenBabel12061010053D 9 8 0 0 0 0 0 0 0 0999 V2000 61.4720 14.3380 27.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 65.9890 12.3750 24.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 60.7380 12.5900 28.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 66.3710 11.7290 26.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 61.6410 13.2770 27.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 65.6410 12.2150 25.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 63.0700 12.7860 28.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 64.2160 12.6590 25.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 63.5550 11.8940 26.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 2 6 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 9 1 0 0 0 0 M END $$$$ 823835 OpenBabel12061010053D 7 6 0 0 0 0 0 0 0 0999 V2000 5.5390 28.7800 26.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 29.6940 25.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7140 30.5480 25.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4460 29.8990 26.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 31.3640 24.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5940 29.0240 27.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 30.5020 24.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 7 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 M END $$$$ 823862 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 -62.2860 -87.1400 49.8740 O 0 0 0 0 0 0 0 0 0 0 0 0 -61.5420 -83.6150 47.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 -61.6120 -86.1500 46.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 -62.7660 -83.4800 50.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 -62.8410 -85.8940 51.7370 O 0 0 0 0 0 0 0 0 0 0 0 0 -60.2900 -88.6210 48.3930 O 0 0 0 0 0 0 0 0 0 0 0 0 -62.2290 -84.7340 48.2750 C 0 0 1 0 0 0 0 0 0 0 0 0 -61.5580 -86.0390 47.8080 C 0 0 1 0 0 0 0 0 0 0 0 0 -62.1530 -84.6790 49.7980 C 0 0 2 0 0 0 0 0 0 0 0 0 -62.2990 -87.2410 48.4170 C 0 0 1 0 0 0 0 0 0 0 0 0 -62.8980 -85.9040 50.3580 C 0 0 1 0 0 0 0 0 0 0 0 0 -61.6670 -88.5700 48.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 823878 OpenBabel12061010053D 21 22 0 0 0 0 0 0 0 0999 V2000 11.6160 28.8330 8.5600 P 0 0 0 0 0 0 0 0 0 0 0 0 9.7290 31.7730 10.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0920 30.2570 9.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1640 32.3030 14.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9130 33.3140 12.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2830 31.7980 13.7390 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9860 27.6550 9.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2840 28.7220 8.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1450 28.8330 7.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6850 30.5480 12.3640 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8900 29.6410 13.7320 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4220 27.3930 13.7480 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2340 31.8050 12.0500 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3800 31.5680 12.9700 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1090 32.0970 10.7040 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5810 32.0070 12.1640 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6260 30.6970 13.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9440 31.0830 10.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9210 29.2850 11.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1630 28.4020 13.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1960 28.1900 12.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 3 18 1 0 0 0 0 6 17 2 0 0 0 0 10 17 1 0 0 0 0 10 19 1 0 0 0 0 11 17 1 0 0 0 0 11 20 2 0 0 0 0 12 20 1 0 0 0 0 13 10 1 6 0 0 0 13 14 1 0 0 0 0 14 4 1 6 0 0 0 14 16 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 1 0 0 0 16 5 1 6 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 M END $$$$ 823881 OpenBabel12061010053D 23 24 0 0 0 0 0 0 0 0999 V2000 -14.7180 -29.0030 -26.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4300 -29.6520 -28.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.2630 -28.3290 -26.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.1500 -30.2670 -29.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.6160 -27.4970 -25.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0650 -28.7910 -26.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.5540 -31.0870 -28.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9930 -30.8300 -27.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.1430 -29.2850 -27.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.0930 -26.9370 -24.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1730 -30.4340 -31.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.0410 -28.7110 -27.3270 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.6230 -28.6110 -27.5790 C 0 0 2 0 0 0 0 0 0 0 0 0 -16.6460 -30.0060 -27.9450 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.4210 -28.5510 -26.6450 C 0 0 1 0 0 0 0 0 0 0 0 0 -16.8600 -28.4000 -26.0760 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.0780 -28.4740 -27.3920 C 0 0 2 0 0 0 0 0 0 0 0 0 -18.1550 -29.8570 -28.1760 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.0030 -29.5580 -28.4640 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.2740 -29.4890 -29.3470 C 0 0 1 0 0 0 0 0 0 0 0 0 -18.8060 -29.5660 -26.8290 C 0 0 1 0 0 0 0 0 0 0 0 0 -16.5580 -27.0310 -25.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3450 -30.5200 -30.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 2 13 1 0 0 0 0 2 20 1 0 0 0 0 3 16 1 0 0 0 0 3 21 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 1 1 1 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 1 1 1 0 0 0 13 15 1 0 0 0 0 14 4 1 6 0 0 0 14 18 1 0 0 0 0 15 5 1 6 0 0 0 15 17 1 0 0 0 0 16 22 1 6 0 0 0 17 6 1 1 0 0 0 17 19 1 0 0 0 0 18 7 1 1 0 0 0 18 21 1 0 0 0 0 19 8 1 1 0 0 0 19 20 1 0 0 0 0 20 23 1 1 0 0 0 21 9 1 6 0 0 0 M END $$$$ 823891 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 20.0040 146.7550 11.6520 F 0 0 0 0 0 0 0 0 0 0 0 0 17.8920 145.8840 8.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6070 149.3710 10.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2190 148.5370 7.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6450 144.8240 10.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8470 147.8930 6.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7320 148.2510 10.3470 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4720 146.9120 10.3880 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1320 148.3840 8.9400 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2260 147.1450 8.6190 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5180 145.7890 10.1440 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8880 147.0000 7.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 6 12 1 0 0 0 0 7 3 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 1 1 1 0 0 0 8 11 1 0 0 0 0 9 4 1 1 0 0 0 9 10 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 1 0 0 0 M END $$$$ 823893 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 -8.5010 -28.3560 -24.2640 F 0 0 0 0 0 0 0 0 0 0 0 0 -10.9370 -27.8200 -26.7390 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4160 -30.7400 -25.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0340 -30.5490 -26.7800 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8350 -26.5100 -26.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5930 -29.5110 -29.8530 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8830 -29.5650 -26.3080 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.4560 -28.6350 -25.2400 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.9300 -29.8650 -27.4030 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.4700 -28.5240 -27.9020 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.8690 -27.3670 -25.9340 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.7510 -28.6450 -28.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 6 12 1 0 0 0 0 7 3 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 1 1 6 0 0 0 8 11 1 0 0 0 0 9 4 1 1 0 0 0 9 10 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 6 0 0 0 M END $$$$ 823901 OpenBabel12061010053D 23 24 0 0 0 0 0 0 0 0999 V2000 -13.4140 -29.7080 -28.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.7530 -27.2740 -26.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.6700 -28.9440 -26.7730 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5220 -27.5380 -25.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.6220 -30.0590 -27.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9940 -28.8570 -26.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9420 -30.8810 -27.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.5520 -27.6150 -27.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.9120 -26.6740 -24.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.1800 -25.9550 -24.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2510 -30.4220 -31.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5290 -28.6730 -27.5270 C 0 0 1 0 0 0 0 0 0 0 0 0 -16.9620 -28.5840 -26.6030 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.3480 -28.7040 -26.6210 C 0 0 1 0 0 0 0 0 0 0 0 0 -18.3230 -28.6630 -27.2740 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.0200 -28.5130 -27.3780 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.9350 -29.5340 -28.5040 C 0 0 2 0 0 0 0 0 0 0 0 0 -19.4510 -28.0340 -26.4220 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.2670 -29.5100 -29.3510 C 0 0 1 0 0 0 0 0 0 0 0 0 -19.0000 -26.8680 -25.5370 C 0 0 2 0 0 0 0 0 0 0 0 0 -17.6180 -27.0960 -24.9580 C 0 0 1 0 0 0 0 0 0 0 0 0 -15.8760 -28.7970 -27.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3730 -30.5690 -30.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 19 1 0 0 0 0 2 13 1 0 0 0 0 2 21 1 0 0 0 0 3 22 1 0 0 0 0 11 23 1 0 0 0 0 12 3 1 1 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 6 0 0 0 14 4 1 6 0 0 0 14 16 1 0 0 0 0 15 5 1 1 0 0 0 15 18 1 0 0 0 0 16 6 1 1 0 0 0 16 17 1 0 0 0 0 17 7 1 1 0 0 0 17 19 1 0 0 0 0 18 8 1 6 0 0 0 18 20 1 0 0 0 0 19 23 1 1 0 0 0 20 9 1 1 0 0 0 20 21 1 0 0 0 0 21 10 1 6 0 0 0 M END $$$$ 823995 OpenBabel12061010053D 17 18 0 0 0 0 0 0 0 0999 V2000 6.6650 1.7590 31.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 2.1180 36.7190 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0140 5.6760 36.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2440 2.5610 34.4700 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9400 2.5360 34.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6680 3.0530 35.8910 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9580 1.9120 32.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2600 2.0390 32.1470 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5720 2.4170 33.8650 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7130 2.6740 34.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6270 2.0160 32.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2270 3.5510 35.6400 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0790 2.1630 32.7200 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8390 3.4330 36.2840 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3880 3.2170 36.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6560 4.3880 37.4860 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2420 4.4140 37.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 10 2 0 0 0 0 6 15 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 9 4 1 6 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 12 4 1 1 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 8 1 6 0 0 0 14 2 1 1 0 0 0 14 16 1 0 0 0 0 16 3 1 6 0 0 0 16 17 1 0 0 0 0 M END $$$$ 824005 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 14.6630 1.3400 22.4440 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2150 3.0950 24.4430 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4140 4.0520 26.0800 F 0 0 0 0 0 0 0 0 0 0 0 0 8.6000 4.8150 23.9850 F 0 0 0 0 0 0 0 0 0 0 0 0 12.7890 -0.0560 23.8050 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9390 -0.6850 24.2110 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5810 2.7030 24.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4200 3.6900 24.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7460 0.8990 24.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9020 3.2030 24.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3450 1.2860 24.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9750 2.3090 24.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4270 0.3910 24.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0850 0.0930 23.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6470 1.3530 20.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3170 2.7960 20.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 8 1 0 0 0 0 3 8 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 6 14 2 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 15 16 1 0 0 0 0 M END $$$$ 824023 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 79.4840 12.3990 13.8330 P 0 0 0 0 0 0 0 0 0 0 0 0 79.7300 13.7880 13.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 83.0270 14.7880 8.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 78.0610 12.1260 13.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 79.6100 12.6260 15.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 80.4150 11.3100 13.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 84.4000 13.7250 11.9300 N 0 0 0 0 0 0 0 0 0 0 0 0 80.4850 14.8470 9.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 82.0940 14.2700 12.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 81.9830 14.5860 10.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 83.0950 14.4840 10.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 84.3450 14.0640 10.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 80.9440 14.4770 13.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 83.3170 13.8400 12.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 80.6140 14.9870 10.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 85.5860 13.9610 9.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 M END $$$$ 824026 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 156.8500 129.8820 -29.6970 O 0 0 0 0 0 0 0 0 0 0 0 0 155.7160 130.4730 -33.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 155.6690 130.5240 -32.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 155.3190 131.7980 -34.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 156.1020 129.1840 -31.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 155.2460 131.6820 -36.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 156.6250 131.6600 -36.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 156.0820 129.1690 -30.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 157.1820 133.0630 -37.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 156.5570 133.7080 -38.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 M END $$$$ 824052 OpenBabel12061010053D 10 10 0 0 0 0 0 0 0 0999 V2000 0.6850 -1.1360 1.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 -0.5770 -0.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8170 -2.9730 1.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 -2.8520 0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -1.4580 0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 -3.6320 2.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0620 -2.4500 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6960 -3.7730 3.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1220 -2.5880 2.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9400 -3.2470 3.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 2 0 0 0 0 9 10 1 0 0 0 0 M END $$$$ 824056 OpenBabel12061010053D 4 3 0 0 0 0 0 0 0 0999 V2000 0.9530 39.0130 39.7630 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 36.1850 37.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 37.5440 38.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4830 37.0340 37.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 3 4 1 0 0 0 0 M END $$$$ 824081 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 -15.0620 7.5170 48.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.1700 7.9750 48.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.0240 5.7270 47.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.5770 9.1770 50.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.5930 7.1640 50.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.2040 6.6820 45.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.8790 7.4800 48.7840 C 0 0 1 0 0 0 0 0 0 0 0 0 -17.2500 6.8470 47.5410 C 0 0 1 0 0 0 0 0 0 0 0 0 -17.0060 8.6160 49.2920 C 0 0 2 0 0 0 0 0 0 0 0 0 -15.8210 6.4010 47.8420 C 0 0 1 0 0 0 0 0 0 0 0 0 -15.5850 8.0860 49.5480 C 0 0 2 0 0 0 0 0 0 0 0 0 -15.0860 5.8370 46.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 824086 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 62.7650 26.1040 58.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 66.5320 25.8120 59.7830 O 0 0 0 0 0 0 0 0 0 0 0 0 65.1790 23.5040 58.8140 O 0 0 0 0 0 0 0 0 0 0 0 0 61.7010 23.8950 59.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 65.8830 29.2980 59.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 66.0330 27.8910 57.6930 N 0 0 0 0 0 0 0 0 0 0 0 0 62.9510 28.3810 57.8960 N 0 0 0 0 0 0 0 0 0 0 0 0 64.9320 27.1310 58.5390 C 0 0 2 0 0 0 0 0 0 0 0 0 65.5600 25.7600 58.7240 C 0 0 2 0 0 0 0 0 0 0 0 0 64.4530 24.7290 59.0290 C 0 0 1 0 0 0 0 0 0 0 0 0 63.7120 27.1800 57.6310 C 0 0 1 0 0 0 0 0 0 0 0 0 63.4110 24.8430 57.9300 C 0 0 1 0 0 0 0 0 0 0 0 0 62.3810 23.7450 58.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 66.3490 29.0250 58.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 67.4820 29.8490 57.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 824088 OpenBabel12061010053D 11 11 0 0 0 0 0 0 0 0999 V2000 1.0740 1.7380 -1.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1190 2.5060 0.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -0.1600 1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9480 0.2610 0.4230 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2910 1.5800 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8280 -1.2760 0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 0.5090 2.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 -1.7070 1.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4210 0.0520 3.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 0.4120 1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1810 -1.0470 2.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 8 11 2 0 0 0 0 9 11 1 0 0 0 0 M END $$$$ 824100 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 19.7730 -53.0570 12.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9290 -50.3770 10.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3400 -50.7030 13.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6390 -53.2770 9.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9360 -53.9080 14.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8630 -52.2450 7.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2050 -50.9780 8.9860 N 0 0 0 0 0 0 0 0 0 0 0 0 18.8720 -51.7190 10.1780 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1580 -50.8060 11.1610 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8890 -51.5700 12.4490 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1250 -52.3540 10.7950 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1700 -52.1860 13.0060 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8720 -53.0150 14.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6700 -51.3210 7.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0860 -50.4810 6.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 8 7 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 4 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 824101 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 23.2900 -53.7220 10.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1740 -57.2620 10.8730 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1280 -55.9640 11.9980 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4090 -55.2430 9.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2710 -52.6600 10.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6390 -53.2770 9.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5060 -56.3170 10.0430 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0930 -56.1010 10.5830 C 0 0 2 0 0 0 0 0 0 0 0 0 25.3400 -55.0350 10.0030 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4790 -54.8610 9.9370 C 0 0 1 0 0 0 0 0 0 0 0 0 24.5620 -53.7830 9.5880 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0790 -54.5400 10.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 824119 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 48.2220 29.4300 9.9790 P 0 0 0 0 0 0 0 0 0 0 0 0 47.9900 28.1490 10.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 48.4120 28.8370 8.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 49.5480 30.1930 10.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 46.8420 30.2210 10.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 49.5440 29.5510 13.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 47.8700 27.1270 14.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 47.6470 28.4520 12.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 49.0000 28.2490 13.0980 C 0 0 2 0 0 0 0 0 0 0 0 0 48.8540 28.2430 14.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 8 1 0 0 0 0 7 10 1 0 0 0 0 9 8 1 1 0 0 0 9 6 1 0 0 0 0 9 10 1 0 0 0 0 M END $$$$ 824126 OpenBabel12061010053D 12 11 0 0 0 0 0 0 0 0999 V2000 33.5290 16.1040 46.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 34.9150 15.2650 45.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 34.2660 20.1240 40.5680 O 0 0 0 0 0 0 0 0 0 0 0 0 33.7150 20.3610 42.7130 N 0 0 0 0 0 0 0 0 0 0 0 0 36.5340 17.3720 45.3160 N 0 0 0 0 0 0 0 0 0 0 0 0 34.2310 22.1940 41.4370 N 0 0 0 0 0 0 0 0 0 0 0 0 35.1950 17.5550 45.9550 C 0 0 2 0 0 0 0 0 0 0 0 0 34.4910 16.2040 46.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3400 18.5270 45.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1030 18.0550 43.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0810 20.8650 41.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1750 19.0040 42.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 8 1 0 0 0 0 3 11 2 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 6 11 1 0 0 0 0 7 5 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 M END $$$$ 824129 OpenBabel12061010053D 14 14 0 0 0 0 0 0 0 0999 V2000 21.9580 35.6010 152.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9690 38.0830 152.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0790 35.1380 153.9360 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2290 33.0070 154.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9290 34.6580 155.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0450 37.1270 150.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4510 38.8830 152.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4760 36.7290 152.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0060 36.5950 152.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7280 35.6520 153.8930 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9950 34.2360 153.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4920 34.5920 153.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4450 37.6170 151.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2910 38.4480 152.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 2 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 10 3 1 6 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 M END $$$$ 824132 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 24.8050 -0.3950 -5.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8680 -0.6400 -8.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9820 1.5140 -8.4540 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8950 -1.6710 -4.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0690 2.3020 -6.7390 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2500 -3.4600 -5.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3860 -1.2380 -5.3800 N 0 0 0 0 0 0 0 0 0 0 0 0 27.0830 -1.1180 -6.0120 C 0 0 2 0 0 0 0 0 0 0 0 0 27.1700 -0.0870 -7.1560 C 0 0 2 0 0 0 0 0 0 0 0 0 25.8050 0.3670 -7.6450 C 0 0 1 0 0 0 0 0 0 0 0 0 26.0720 -0.6690 -4.9530 C 0 0 1 0 0 0 0 0 0 0 0 0 24.8720 0.7080 -6.4860 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4640 0.9610 -6.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7390 -2.3590 -4.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8090 -2.2420 -3.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 8 7 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 4 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 824142 OpenBabel12061010053D 20 22 0 0 0 0 0 0 0 0999 V2000 145.1990 64.3580 63.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 141.8410 64.7020 62.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 143.4490 63.5300 60.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 147.3450 66.0010 62.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 145.3820 65.9480 65.5000 N 0 0 0 0 0 0 0 0 0 0 0 0 145.8110 67.0040 66.1380 N 0 0 0 0 0 0 0 0 0 0 0 0 143.6510 68.3530 63.5120 N 0 0 0 0 0 0 0 0 0 0 0 0 144.5390 70.2480 64.7450 N 0 3 0 0 0 0 0 0 0 0 0 0 146.0140 70.0590 66.5750 N 0 0 0 0 0 0 0 0 0 0 0 0 144.5370 66.2140 64.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 144.0240 65.0110 63.6230 C 0 0 1 0 0 0 0 0 0 0 0 0 144.4160 67.6000 64.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 145.2250 68.0640 65.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 143.1040 65.3240 62.4020 C 0 0 1 0 0 0 0 0 0 0 0 0 143.9290 64.7870 61.1730 C 0 0 1 0 0 0 0 0 0 0 0 0 145.3520 64.6550 61.6680 C 0 0 1 0 0 0 0 0 0 0 0 0 145.3280 69.4840 65.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 143.7350 69.6970 63.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 146.1880 65.9610 61.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 144.6170 71.6780 64.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 16 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 13 1 0 0 0 0 7 12 2 0 0 0 0 7 18 1 0 0 0 0 8 17 1 0 0 0 0 8 18 2 0 0 0 0 8 20 1 0 0 0 0 9 17 1 0 0 0 0 10 12 1 0 0 0 0 11 10 1 6 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 13 17 2 0 0 0 0 14 2 1 1 0 0 0 14 15 1 0 0 0 0 15 3 1 1 0 0 0 15 16 1 0 0 0 0 16 19 1 1 0 0 0 M CHG 1 8 1 M END $$$$ 824150 OpenBabel12061010053D 4 3 0 0 0 0 0 0 0 0999 V2000 35.3770 19.6740 -24.7290 S 0 0 0 0 0 0 0 0 0 0 0 0 35.1150 22.2320 -21.7110 O 0 0 0 0 0 0 0 0 0 0 0 0 35.3110 21.2840 -23.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4030 21.2430 -22.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 3 4 1 0 0 0 0 M END $$$$ 824183 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 46.1090 70.6720 -7.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 48.0700 67.7950 -5.6350 O 0 0 0 0 0 0 0 0 0 0 0 0 47.0780 70.3170 -5.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 48.5470 67.9440 -8.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 45.9440 68.7350 -9.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 43.2980 70.9260 -5.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 47.1200 68.3320 -6.5520 C 0 0 1 0 0 0 0 0 0 0 0 0 46.2470 69.3750 -5.8460 C 0 0 2 0 0 0 0 0 0 0 0 0 47.8530 68.9550 -7.7450 C 0 0 2 0 0 0 0 0 0 0 0 0 45.3370 70.1190 -6.8330 C 0 0 1 0 0 0 0 0 0 0 0 0 46.8470 69.6610 -8.6570 C 0 0 2 0 0 0 0 0 0 0 0 0 44.6200 71.2810 -6.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 824190 OpenBabel12061010053D 31 33 0 0 0 0 0 0 0 0999 V2000 37.5110 16.3150 10.4090 P 0 0 0 0 0 0 0 0 0 0 0 0 35.5550 28.2990 9.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 35.5110 26.5830 14.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 34.9380 22.5130 12.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 37.1460 20.8750 13.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 37.8980 17.2680 11.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 36.6570 19.5170 10.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 37.4180 17.1320 9.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 36.2470 15.6040 10.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 38.6400 15.3360 10.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 36.9460 23.7610 10.5710 N 0 3 0 0 0 0 0 0 0 0 0 0 36.5090 25.8540 8.7250 N 0 0 0 0 0 0 0 0 0 0 0 0 36.2260 25.1970 12.3500 N 0 0 0 0 0 0 0 0 0 0 0 0 35.5320 27.4540 11.8780 N 0 0 0 0 0 0 0 0 0 0 0 0 36.4840 24.9850 11.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1930 23.5200 9.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 36.2690 26.0510 10.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 36.9620 24.6180 8.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7700 27.3460 10.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6340 22.2730 8.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1800 22.6900 11.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1860 24.4340 6.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7490 26.4000 12.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 37.8400 22.0830 7.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6160 23.1880 6.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9550 21.8090 11.7600 C 0 0 1 0 0 0 0 0 0 0 0 0 36.3490 20.5140 12.5290 C 0 0 1 0 0 0 0 0 0 0 0 0 37.0900 19.4760 11.6730 C 0 0 1 0 0 0 0 0 0 0 0 0 38.2930 20.6940 6.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 37.8420 22.9860 4.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 36.9430 18.1060 12.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 19 2 0 0 0 0 3 23 2 0 0 0 0 6 31 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 19 1 0 0 0 0 14 23 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 17 19 1 0 0 0 0 18 22 2 0 0 0 0 20 24 1 0 0 0 0 22 25 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 26 21 1 1 0 0 0 26 4 1 0 0 0 0 26 27 1 0 0 0 0 27 5 1 6 0 0 0 27 28 1 0 0 0 0 28 7 1 6 0 0 0 28 31 1 0 0 0 0 M CHG 1 11 1 M END $$$$ 824195 OpenBabel12061010053D 23 25 0 0 0 0 0 0 0 0999 V2000 19.2640 -9.4110 5.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6080 -9.3140 2.6440 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0900 -4.5910 3.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7120 -9.1000 8.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6080 -4.9380 6.1600 N 0 0 0 0 0 0 0 0 0 0 0 0 19.4650 -7.1660 5.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9620 -5.8680 5.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8500 -6.8610 6.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8990 -5.6000 7.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6730 -8.3020 4.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6590 -5.6990 3.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4380 -8.1510 3.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9130 -6.8790 3.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1580 -7.8520 7.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8820 -3.4900 6.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3470 -4.8990 8.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5210 -10.1840 8.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3080 -9.2500 1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5020 -9.9010 9.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4000 -11.5310 7.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3400 -10.9530 9.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2360 -12.5760 8.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2080 -12.2910 9.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 12 1 0 0 0 0 2 18 1 0 0 0 0 3 11 2 0 0 0 0 4 14 1 0 0 0 0 4 17 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 13 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 M END $$$$ 824260 OpenBabel12061010053D 9 8 0 0 0 0 0 0 0 0999 V2000 25.1730 18.7750 66.8640 N 0 3 0 0 0 0 0 0 0 0 0 0 23.8220 18.9360 67.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1100 19.9950 67.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8700 18.6180 65.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9410 17.5330 67.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9970 18.6480 69.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3720 21.1270 67.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0890 18.9760 64.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5590 16.3020 66.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 M CHG 1 1 1 M END $$$$ 824268 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 8.7040 70.9450 49.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5320 67.7820 46.6860 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2030 70.3140 46.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6140 72.1930 49.7910 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0500 67.0970 50.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0080 67.6710 48.1110 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5260 69.6540 49.9630 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0050 68.6660 48.3860 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1520 68.9660 47.1650 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1060 70.0000 47.6110 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6870 69.9390 48.8210 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8530 71.2440 48.0010 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9100 72.3190 48.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3570 66.8620 49.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1370 65.5990 48.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 824285 OpenBabel12061010053D 11 10 0 0 0 0 0 0 0 0999 V2000 12.8450 -9.4700 12.0240 P 0 0 0 0 0 0 0 0 0 0 0 0 11.7430 -9.0780 10.9250 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1260 -9.8100 11.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0670 -8.3290 12.9440 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3850 -10.6420 12.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9010 -8.4320 8.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6630 -5.7290 11.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7650 -6.8150 10.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0310 -8.0480 9.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7440 -7.4150 9.3900 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0190 -6.6130 10.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 9 1 0 0 0 0 7 11 2 0 0 0 0 8 11 1 0 0 0 0 10 9 1 1 0 0 0 10 6 1 0 0 0 0 10 11 1 0 0 0 0 M END $$$$ 824297 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 79.1890 12.3380 13.9540 P 0 0 0 0 0 0 0 0 0 0 0 0 79.4490 13.6990 13.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 82.8010 15.0410 8.9490 O 0 0 0 0 0 0 0 0 0 0 0 0 77.8330 12.0860 13.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 79.2490 12.5460 15.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 80.1370 11.3660 13.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 84.0830 13.5480 11.9720 N 0 0 0 0 0 0 0 0 0 0 0 0 80.2610 15.1640 9.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 81.8320 14.2110 12.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 81.7470 14.6610 11.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 82.8550 14.5670 10.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 84.0250 14.0120 10.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 80.6540 14.4560 13.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 82.9870 13.6520 12.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 80.3660 15.1120 10.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 85.2420 13.9800 9.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 M END $$$$ 824303 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 -2.4260 4.3790 65.5690 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 5.4800 67.6480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 2.2530 70.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2950 2.5550 68.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 4.6850 71.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 6.3340 68.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 3.4830 69.6100 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6110 4.4340 69.7770 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1020 3.2760 68.1230 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9270 5.7420 69.0550 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2360 4.6230 67.3740 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1640 6.7960 69.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 6 12 1 0 0 0 0 7 3 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 5 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 1 1 6 0 0 0 M END $$$$ 824333 OpenBabel12061010053D 51 51 0 0 0 0 0 0 0 0999 V2000 -13.4460 3.4400 -11.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.0060 8.5290 -20.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.4880 9.3030 -21.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.8500 9.9940 -21.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.1390 7.6000 -19.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.9170 8.9650 -20.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.4570 7.8740 -19.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.5470 9.5760 -19.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.7540 7.7390 -20.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.8050 6.3480 -18.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.6380 7.1050 -19.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.8880 6.3350 -17.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.4450 5.2510 -17.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.0270 3.8220 -17.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.4060 5.4800 -16.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8190 4.5770 -15.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7810 4.9360 -14.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1360 4.0400 -13.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3930 2.5400 -13.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3640 4.6750 -12.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6310 4.0670 -11.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.5860 8.5980 -22.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.7350 10.0430 -21.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -22.1730 10.5120 -22.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -21.7500 10.7840 -20.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -23.2990 8.4630 -21.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -23.7880 9.5150 -20.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.9540 9.1520 -18.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.9100 10.3660 -19.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.4060 10.0920 -18.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2380 7.2390 -19.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.0110 6.9490 -21.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0090 8.3970 -21.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -21.3570 5.4530 -18.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -23.5750 7.0590 -18.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -24.6210 7.5510 -19.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -23.6650 6.0650 -19.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.4400 7.2910 -17.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -21.0020 3.7830 -17.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.3260 3.1910 -17.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.1940 3.3190 -16.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0060 6.4910 -16.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1840 3.5620 -15.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4020 5.9480 -14.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6820 1.9780 -12.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4080 2.3190 -13.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3130 2.1090 -14.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2130 5.7540 -12.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2700 3.3380 -10.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3850 4.8430 -10.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5550 3.3480 -12.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 51 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 6 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 11 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 2 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 M END $$$$ 824342 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 6.8490 66.8870 55.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1640 68.9730 59.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3280 70.3780 56.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0720 68.0110 52.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3920 65.6170 59.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3280 66.3090 59.0840 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4350 64.8290 56.5980 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8680 66.8970 57.8510 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5390 68.3880 57.8700 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9740 69.1100 56.6170 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2370 66.2720 56.6120 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6140 68.3210 55.3300 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4220 68.7640 54.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1730 65.7140 59.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4850 65.1610 61.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 824464 OpenBabel12061010053D 24 25 0 0 0 0 0 0 0 0999 V2000 39.2080 34.6890 35.2910 P 0 0 0 0 0 0 0 0 0 0 0 0 39.9970 38.6780 38.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 39.3370 41.1680 35.8130 O 0 0 0 0 0 0 0 0 0 0 0 0 37.4030 39.6260 36.9900 O 0 0 0 0 0 0 0 0 0 0 0 0 38.8370 36.0220 36.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 42.3540 38.5470 36.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 41.4090 43.2350 39.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 40.2500 41.4170 40.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 45.6310 41.1590 38.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 38.0480 34.4640 34.3930 O 0 0 0 0 0 0 0 0 0 0 0 0 40.4800 34.8490 34.5010 O 0 0 0 0 0 0 0 0 0 0 0 0 39.2760 33.4720 36.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 41.7140 40.2660 37.8580 N 0 0 0 0 0 0 0 0 0 0 0 0 43.9810 39.8810 37.3950 N 0 0 0 0 0 0 0 0 0 0 0 0 40.3110 39.8970 37.6800 C 0 0 1 0 0 0 0 0 0 0 0 0 39.7010 39.8730 36.2940 C 0 0 1 0 0 0 0 0 0 0 0 0 38.5340 38.9210 36.4760 C 0 0 1 0 0 0 0 0 0 0 0 0 39.0840 37.9300 37.4760 C 0 0 1 0 0 0 0 0 0 0 0 0 42.0970 41.3880 38.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 42.6730 39.4970 37.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 43.3890 41.7220 38.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 41.2050 42.0410 39.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 39.7680 36.6780 36.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 44.4320 40.9640 38.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 2 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 5 23 1 0 0 0 0 6 20 2 0 0 0 0 7 22 2 0 0 0 0 8 22 1 0 0 0 0 9 24 2 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 14 20 1 0 0 0 0 14 24 1 0 0 0 0 15 13 1 6 0 0 0 15 16 1 0 0 0 0 16 3 1 1 0 0 0 16 17 1 0 0 0 0 17 4 1 1 0 0 0 17 18 1 0 0 0 0 18 23 1 6 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 21 24 1 0 0 0 0 M END $$$$ 824485 OpenBabel12061010053D 25 27 0 0 0 0 0 0 0 0999 V2000 11.9020 23.4240 36.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4510 22.5650 36.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3990 22.4410 30.6070 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5550 23.2240 31.8120 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5030 23.4370 30.7740 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9540 25.1520 32.1230 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1420 21.6620 29.3720 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7320 24.1770 32.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8780 23.3290 31.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1890 24.9470 33.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8780 24.9580 33.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0590 24.2740 31.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0050 23.9860 32.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6820 22.5230 30.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0920 25.8990 34.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6990 24.1250 35.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1640 25.5060 35.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5740 23.1010 36.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0530 25.6390 34.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3290 23.8990 35.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8140 22.6790 36.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0860 21.8820 36.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7060 21.6770 36.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6960 22.2420 36.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6260 23.6940 36.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 24 1 0 0 0 0 2 21 1 0 0 0 0 2 25 1 0 0 0 0 3 9 2 0 0 0 0 3 14 1 0 0 0 0 4 9 1 0 0 0 0 4 13 2 0 0 0 0 5 12 1 0 0 0 0 5 14 2 0 0 0 0 6 12 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 15 17 2 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 18 22 1 0 0 0 0 20 21 2 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 M END $$$$ 824498 OpenBabel12061010053D 23 24 0 0 0 0 0 0 0 0999 V2000 -4.5100 -13.9770 1.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5710 -13.1470 -0.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3150 -16.9970 3.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1780 -16.1240 0.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4140 -11.8870 1.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5960 -9.5650 0.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2060 -18.6010 2.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 -10.4160 -0.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7100 -19.1970 3.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8750 -14.8120 1.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -12.3350 -1.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0380 -15.3240 1.8710 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7140 -13.2060 0.7540 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8670 -16.2980 1.8170 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1640 -11.7960 1.1460 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8950 -15.6110 3.1270 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3060 -10.8830 -0.0810 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3350 -17.7460 1.9500 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0130 -10.9060 -0.9060 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7820 -12.3810 -1.2770 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2080 -17.9060 3.1980 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1570 -14.7700 3.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6110 -12.6630 -2.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 2 13 1 0 0 0 0 2 20 1 0 0 0 0 3 16 1 0 0 0 0 3 21 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 1 1 1 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 1 1 1 0 0 0 13 15 1 0 0 0 0 14 4 1 6 0 0 0 14 18 1 0 0 0 0 15 5 1 6 0 0 0 15 17 1 0 0 0 0 16 22 1 6 0 0 0 17 6 1 1 0 0 0 17 19 1 0 0 0 0 18 7 1 1 0 0 0 18 21 1 0 0 0 0 19 8 1 1 0 0 0 19 20 1 0 0 0 0 20 23 1 1 0 0 0 21 9 1 6 0 0 0 M END $$$$ 824501 OpenBabel12061010053D 8 7 0 0 0 0 0 0 0 0999 V2000 56.7860 44.9640 128.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 60.6110 48.2790 127.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 56.3520 46.9460 129.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 61.4370 47.6170 129.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 57.1800 46.0710 129.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 60.4320 47.9230 128.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 58.6870 46.3350 129.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 59.0390 47.8280 129.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 2 6 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 8 1 0 0 0 0 M END $$$$ 824656 OpenBabel12061010053D 21 21 0 0 0 0 0 0 0 0999 V2000 38.9530 16.8360 55.8070 O 0 0 0 0 0 0 0 0 0 0 0 0 30.8950 21.8050 46.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6270 20.5450 46.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2800 19.6520 45.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6250 21.8580 44.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7710 20.2040 48.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2370 19.9480 44.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8460 21.3920 44.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5000 22.0510 47.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7150 23.0550 46.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8660 20.0030 49.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0500 18.3950 46.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0410 19.8320 50.5460 C 0 0 2 0 0 0 0 0 0 0 0 0 34.2570 19.5650 51.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6620 19.3530 52.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7180 19.4720 51.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5760 18.9100 54.0910 C 0 0 2 0 0 0 0 0 0 0 0 0 35.9370 19.1630 52.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 37.9390 18.5170 54.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7100 18.9120 55.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 38.5700 18.2110 55.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 4 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 5 8 1 0 0 0 0 6 11 2 0 0 0 0 7 8 1 0 0 0 0 13 11 1 6 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 15 18 2 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 19 21 1 0 0 0 0 M END $$$$ 824662 OpenBabel12061010053D 8 7 0 0 0 0 0 0 0 0999 V2000 -4.5920 39.0760 24.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0730 39.3890 21.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9350 38.4260 21.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5010 39.1620 23.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1830 39.0480 21.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0170 38.8680 23.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4520 39.6640 24.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9250 39.2310 22.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 5 2 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 M END $$$$ 824665 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 77.9180 56.2690 35.7420 O 0 0 0 0 0 0 0 0 0 0 0 0 74.4750 58.4830 36.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 76.8210 59.0180 37.9430 O 0 0 0 0 0 0 0 0 0 0 0 0 80.0750 56.2470 37.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 73.5290 55.8180 33.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 75.0650 57.4580 33.7050 N 0 0 0 0 0 0 0 0 0 0 0 0 77.0820 55.3490 33.7420 N 0 0 0 0 0 0 0 0 0 0 0 0 75.7520 57.0340 34.9080 C 0 0 2 0 0 0 0 0 0 0 0 0 75.7920 58.2000 35.9020 C 0 0 2 0 0 0 0 0 0 0 0 0 76.6820 57.8620 37.0970 C 0 0 1 0 0 0 0 0 0 0 0 0 77.1690 56.5480 34.5540 C 0 0 1 0 0 0 0 0 0 0 0 0 78.0560 57.4160 36.6020 C 0 0 1 0 0 0 0 0 0 0 0 0 78.9870 57.0150 37.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 73.9580 56.8330 33.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 73.2110 57.4260 32.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 824746 OpenBabel12061010053D 11 10 0 0 0 0 0 0 0 0999 V2000 140.4190 171.5630 37.2580 P 0 0 0 0 0 0 0 0 0 0 0 0 139.2220 171.6660 36.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 140.8910 172.8540 37.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 141.7720 170.8110 36.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 140.0030 170.6360 38.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 138.3390 171.8950 32.2570 N 0 3 0 0 0 0 0 0 0 0 0 0 139.4170 171.8200 34.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 138.2050 171.6580 33.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 139.6100 172.5980 32.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 137.2310 172.4550 31.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 138.4620 170.5910 31.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 M CHG 1 6 1 M END $$$$ 824802 OpenBabel12061010053D 9 9 0 0 0 0 0 0 0 0999 V2000 12.3120 20.6340 69.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0270 21.0300 63.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7080 21.1360 67.3500 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6940 22.1250 65.3420 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4560 20.6870 66.2310 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9510 20.5700 68.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7200 21.3200 65.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1990 19.2290 66.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2390 19.1800 67.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 7 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 7 1 6 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 8 9 1 0 0 0 0 M END $$$$ 824856 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 23.0480 -4.6710 10.0200 P 0 0 0 0 0 0 0 0 0 0 0 0 23.6580 -5.3750 11.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6480 -7.9800 15.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4440 -3.4940 10.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0340 -5.8160 9.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0240 -4.5460 8.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7350 -5.1770 15.1540 N 0 0 0 0 0 0 0 0 0 0 0 0 22.3260 -7.7360 14.2860 N 0 0 0 0 0 0 0 0 0 0 0 0 25.1070 -5.2890 13.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5790 -6.4190 14.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1590 -6.8700 15.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2460 -6.2670 15.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5520 -4.6720 12.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1980 -4.7020 14.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3400 -7.1710 13.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8920 -6.7480 17.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 M END $$$$ 824885 OpenBabel12061010053D 14 13 0 0 0 0 0 0 0 0999 V2000 131.0780 61.7380 -7.4310 N 0 0 0 0 0 0 0 0 0 0 0 0 127.9590 57.0880 -5.4660 N 0 0 0 0 0 0 0 0 0 0 0 0 130.1230 59.4620 -7.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 129.6170 58.6610 -5.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 131.0980 60.5000 -6.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 128.1600 58.2980 -6.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 126.7970 57.4510 -4.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 130.4530 62.8180 -6.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 125.5440 56.6110 -4.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 131.2250 64.1140 -6.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 131.9940 64.5400 -5.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 124.9300 56.7450 -6.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 132.7250 64.9900 -4.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 124.3410 56.8800 -7.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 M END $$$$ 824900 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 22.4450 14.8830 -12.7530 P 0 0 0 0 0 0 0 0 0 0 0 0 22.2540 12.1710 -11.5810 P 0 0 0 0 0 0 0 0 0 0 0 0 23.8610 17.7730 -10.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0200 15.8280 -11.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7350 13.6840 -12.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5630 19.1910 -7.7690 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2870 17.3960 -9.5530 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5930 14.4300 -13.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5830 15.6890 -13.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3370 11.2560 -12.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5750 12.2340 -10.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1110 11.8000 -10.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6730 19.6900 -11.3360 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9190 19.7210 -13.6020 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9830 22.0900 -10.8920 N 0 0 0 0 0 0 0 0 0 0 0 0 24.4100 23.3160 -12.9370 N 0 0 0 0 0 0 0 0 0 0 0 0 24.5000 22.2840 -15.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 23.6210 19.1420 -9.9700 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8980 21.0110 -11.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2900 19.1930 -9.2370 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7560 17.0070 -9.5390 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6380 17.9580 -9.8640 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0760 20.9960 -13.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6480 18.9710 -12.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6520 15.6520 -10.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3430 22.2080 -13.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2250 23.1730 -11.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 18 13 1 6 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 6 1 1 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 6 0 0 0 22 7 1 1 0 0 0 23 26 2 0 0 0 0 M END $$$$ 824936 OpenBabel12061010053D 9 8 0 0 0 0 0 0 0 0999 V2000 40.4350 23.1030 14.7650 P 0 0 0 0 0 0 0 0 0 0 0 0 39.6020 20.5100 13.8170 P 0 0 0 0 0 0 0 0 0 0 0 0 39.4380 21.8510 14.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 41.5560 22.7150 15.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 40.7340 19.7770 14.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 40.6890 23.5820 13.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 39.5560 24.2120 15.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 39.9260 20.9520 12.4390 O 0 0 0 0 0 0 0 0 0 0 0 0 38.3000 19.8050 13.9280 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 M END $$$$ 825074 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 -16.3820 18.4810 20.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.9870 17.4410 21.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2430 12.9300 20.9590 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.0640 13.5380 19.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.7360 16.2260 19.5760 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.8860 16.2000 20.7740 C 0 0 2 0 0 0 0 0 0 0 0 0 -16.0230 17.4860 20.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1010 14.8870 20.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9730 14.8210 19.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9980 13.6870 19.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 7 1 0 0 0 0 3 10 2 0 0 0 0 4 10 1 0 0 0 0 6 5 1 6 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 M END $$$$ 825132 OpenBabel12061010053D 8 7 0 0 0 0 0 0 0 0999 V2000 -1.8680 -15.3520 78.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0520 -17.7910 76.5650 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 -18.2350 78.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8120 -15.9560 77.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 -17.3910 77.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1170 -15.2880 77.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3240 -13.9610 77.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2190 -13.0010 78.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 5 2 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 M END $$$$ 825165 OpenBabel12061010053D 25 28 0 0 0 0 0 0 0 0999 V2000 8.5500 10.6140 30.3020 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 13.9960 29.6600 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 14.7740 29.7430 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 11.1540 28.7880 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 8.9160 29.5630 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 15.2930 30.3470 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 9.6040 27.9020 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2430 12.8750 29.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6470 13.3730 29.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 11.5080 29.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8880 12.6610 29.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 14.1020 29.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 15.0130 29.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 10.5080 30.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7100 12.8550 31.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3610 11.7460 28.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 13.9340 31.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 15.4350 28.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 9.8990 28.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 9.2010 30.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9400 12.1680 31.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5890 11.0620 29.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3730 11.2740 30.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 14.0530 31.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 15.6120 28.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 9 1 0 0 0 0 3 13 2 0 0 0 0 4 10 1 0 0 0 0 4 19 2 0 0 0 0 5 19 1 0 0 0 0 5 20 2 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 19 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 14 2 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 16 22 2 0 0 0 0 17 24 1 0 0 0 0 18 25 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 M END $$$$ 825232 OpenBabel12061010053D 13 12 0 0 0 0 0 0 0 0999 V2000 25.8190 2.5020 -11.9270 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6110 1.2510 -9.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3290 -0.1200 -10.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1970 4.1790 -9.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 0.0340 -12.4910 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0910 4.1000 -9.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3950 -1.2250 -13.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9920 1.7350 -11.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6590 0.9440 -10.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2350 2.6250 -11.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2780 0.8090 -12.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2220 3.7500 -10.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0770 -0.0590 -13.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 9 2 0 0 0 0 3 9 1 0 0 0 0 4 12 2 0 0 0 0 5 13 2 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 M END $$$$ 825257 OpenBabel12061010053D 28 30 0 0 0 0 0 0 0 0999 V2000 -2.2100 -5.0760 29.9760 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 -4.4080 27.3160 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 -8.6180 32.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 -6.3440 30.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -5.2030 28.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1310 -7.7380 34.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5620 -9.6590 32.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5300 -5.7100 36.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6070 -5.2820 29.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9290 -3.8750 30.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -4.2230 27.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 -5.3750 26.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 -3.1110 27.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -7.4430 34.1250 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 -5.6130 34.5050 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -8.9870 35.6520 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9700 -7.9140 36.8340 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4470 -10.1520 37.1850 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 -8.3950 33.5130 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0310 -7.7870 35.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 -7.6840 33.5080 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7480 -6.6580 35.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 -8.6420 31.3950 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0860 -8.3400 32.3330 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2610 -6.1310 33.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7990 -6.6710 36.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 -7.6510 30.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 -9.0010 36.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 9 2 0 0 0 0 1 10 1 0 0 0 0 2 5 1 0 0 0 0 2 11 2 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 19 1 0 0 0 0 3 23 1 0 0 0 0 4 27 1 0 0 0 0 8 26 2 0 0 0 0 14 20 1 0 0 0 0 14 25 1 0 0 0 0 15 22 1 0 0 0 0 15 25 2 0 0 0 0 16 20 1 0 0 0 0 16 28 2 0 0 0 0 17 26 1 0 0 0 0 17 28 1 0 0 0 0 18 28 1 0 0 0 0 19 14 1 6 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 21 6 1 1 0 0 0 21 24 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 1 0 0 0 24 7 1 1 0 0 0 M END $$$$ 825300 OpenBabel12061010053D 8 7 0 0 0 0 0 0 0 0999 V2000 100.1770 33.1040 0.4510 S 0 0 0 0 0 0 0 0 0 0 0 0 94.8220 34.1410 3.1350 S 0 0 0 0 0 0 0 0 0 0 0 0 98.4410 36.4710 1.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 96.0780 34.7720 0.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 98.3700 35.1790 1.0360 C 0 0 2 0 0 0 0 0 0 0 0 0 96.9960 34.5480 1.4370 C 0 0 1 0 0 0 0 0 0 0 0 0 99.5770 34.3700 1.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 96.3560 35.1610 2.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 5 3 1 1 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 4 1 6 0 0 0 6 8 1 0 0 0 0 M END $$$$ 825336 OpenBabel12061010053D 22 22 0 0 0 0 0 0 0 0999 V2000 5.6910 38.7340 36.4850 P 0 0 0 0 0 0 0 0 0 0 0 0 7.1640 41.1410 37.3450 P 0 0 0 0 0 0 0 0 0 0 0 0 6.5910 31.9880 33.5000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.0850 37.9510 36.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7380 35.6310 35.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1680 40.2620 36.3670 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7980 38.4290 35.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1730 38.3810 37.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5030 37.5140 37.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7810 32.9830 34.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2360 36.9950 34.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5360 40.9080 36.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9860 40.5690 38.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7320 42.5810 37.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1970 32.8140 32.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8620 31.1670 33.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4530 31.1040 34.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2810 36.5830 36.7140 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8020 36.3140 36.6850 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7870 35.1090 34.8770 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0430 35.8420 35.2580 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9600 33.7520 34.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 2 6 1 0 0 0 0 2 12 2 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 10 1 0 0 0 0 3 15 2 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 5 18 1 0 0 0 0 5 20 1 0 0 0 0 10 22 1 0 0 0 0 18 4 1 6 0 0 0 18 19 1 0 0 0 0 19 9 1 6 0 0 0 19 21 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 1 0 0 0 21 11 1 1 0 0 0 M END $$$$ 825340 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 -16.8220 94.1570 70.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.0280 93.5110 73.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.3610 93.3430 70.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.0800 95.8070 69.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.9090 91.0280 73.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.3840 92.6320 74.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.1160 93.0240 71.6420 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.6460 93.4880 72.8840 C 0 0 2 0 0 0 0 0 0 0 0 0 -19.0100 93.1520 72.2810 C 0 0 2 0 0 0 0 0 0 0 0 0 -19.2420 93.9020 70.9580 C 0 0 1 0 0 0 0 0 0 0 0 0 -16.5900 93.2750 71.8200 C 0 0 1 0 0 0 0 0 0 0 0 0 -18.0310 93.8170 70.0190 C 0 0 1 0 0 0 0 0 0 0 0 0 -18.1530 94.7640 68.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2180 92.0070 74.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2500 92.5450 75.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 825346 OpenBabel12061010053D 9 9 0 0 0 0 0 0 0 0999 V2000 24.1720 90.6640 84.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0230 88.0000 84.8190 N 0 0 0 0 0 0 0 0 0 0 0 0 28.3260 87.3020 84.9300 N 0 0 0 0 0 0 0 0 0 0 0 0 25.7970 89.3750 85.2850 C 0 0 2 0 0 0 0 0 0 0 0 0 26.1760 89.4520 86.7480 C 0 0 1 0 0 0 0 0 0 0 0 0 27.1530 87.7000 85.7230 C 0 0 1 0 0 0 0 0 0 0 0 0 27.5630 88.8660 86.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3750 89.7760 84.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2560 90.8270 87.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 1 0 0 0 5 7 1 0 0 0 0 5 9 1 6 0 0 0 6 3 1 6 0 0 0 6 7 1 0 0 0 0 M END $$$$ 825362 OpenBabel12061010053D 22 23 0 0 0 0 0 0 0 0999 V2000 59.4520 39.3470 5.9850 P 0 0 0 0 0 0 0 0 0 0 0 0 56.7550 40.3300 9.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 58.1230 39.6200 6.7930 O 0 0 0 0 0 0 0 0 0 0 0 0 55.2290 38.6510 11.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 57.8030 38.1670 11.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 59.7820 40.5250 5.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 59.2580 38.1410 5.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 60.6680 39.0920 7.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 49.9120 39.5230 6.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 50.4670 38.7490 8.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 54.4450 40.1940 8.4180 N 0 3 0 0 0 0 0 0 0 0 0 0 55.4740 40.0230 9.5450 C 0 0 1 0 0 0 0 0 0 0 0 0 55.5620 38.6310 10.2180 C 0 0 1 0 0 0 0 0 0 0 0 0 57.5950 39.1310 9.0450 C 0 0 1 0 0 0 0 0 0 0 0 0 57.0500 38.1760 10.0900 C 0 0 1 0 0 0 0 0 0 0 0 0 57.6250 38.5880 7.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 53.1820 39.6760 8.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 54.8040 40.8660 7.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 52.1990 39.8190 7.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 53.7640 40.9590 6.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 52.4350 40.4720 6.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 50.7340 39.3680 7.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 16 1 0 0 0 0 9 22 2 0 0 0 0 10 22 1 0 0 0 0 11 17 1 0 0 0 0 11 18 2 0 0 0 0 12 11 1 6 0 0 0 12 13 1 0 0 0 0 13 4 1 1 0 0 0 13 15 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 6 0 0 0 15 5 1 1 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 M CHG 1 11 1 M END $$$$ 825376 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 33.1360 20.3260 31.8810 S 0 0 0 0 0 0 0 0 0 0 0 0 34.0640 19.5380 31.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 31.9590 19.2800 32.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 33.6460 21.0350 33.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 33.8410 20.4200 23.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 32.1880 20.1070 28.6490 N 0 0 0 0 0 0 0 0 0 0 0 0 32.8540 19.7360 25.7600 N 0 0 0 0 0 0 0 0 0 0 0 0 32.2310 21.5020 30.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4130 20.8180 29.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2740 19.3250 27.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2430 20.9690 27.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9470 18.7560 26.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8670 20.3630 26.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1110 20.7330 24.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5040 20.7010 23.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 M END $$$$ 825405 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 52.7700 -53.2050 103.5500 P 0 0 0 0 0 0 0 0 0 0 0 0 53.5870 -53.5970 102.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 56.6450 -54.3190 97.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 53.5660 -53.8450 104.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 51.4230 -53.7620 103.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 52.7860 -51.6870 103.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 52.9990 -54.7510 97.9160 N 0 0 0 0 0 0 0 0 0 0 0 0 57.8480 -54.2710 100.1470 N 0 0 0 0 0 0 0 0 0 0 0 0 53.9720 -54.8180 100.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 55.2500 -54.6090 99.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 55.3750 -54.4590 98.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 54.2430 -54.5320 97.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 53.7210 -54.9640 101.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 52.8690 -54.8880 99.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 56.4290 -54.6180 100.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 54.3380 -54.3670 95.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 M END $$$$ 825430 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 -4.6760 8.9300 34.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4930 8.9320 30.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 10.8380 32.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8030 11.9040 34.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5270 6.3080 30.6770 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 6.4850 31.8320 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2560 6.5760 34.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9400 7.7880 32.3760 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7460 8.7150 32.2330 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0070 10.0600 32.9360 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2940 7.6550 33.8530 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5290 9.8420 34.3860 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9230 11.1300 35.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4420 5.8520 31.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9730 4.5010 30.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 825436 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 10.0900 26.2450 19.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0220 27.1520 20.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4090 28.8670 18.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6110 24.8810 20.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0340 24.7220 20.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1280 26.0890 16.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6120 27.2840 20.1670 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0240 27.5630 18.7800 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0190 26.0160 20.8060 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5030 27.4830 18.8050 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4630 25.9920 20.6790 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9820 27.4200 17.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 825438 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 39.2430 0.6420 57.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 42.4790 -0.4050 60.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 41.9900 -1.7610 57.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 38.6340 -2.0190 56.9030 O 0 0 0 0 0 0 0 0 0 0 0 0 40.8330 1.9470 62.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 41.5160 2.2880 60.1990 N 0 0 0 0 0 0 0 0 0 0 0 0 38.8390 2.5450 59.0410 N 0 0 0 0 0 0 0 0 0 0 0 0 40.7910 1.2000 59.5220 C 0 0 2 0 0 0 0 0 0 0 0 0 41.8200 0.2500 58.9370 C 0 0 2 0 0 0 0 0 0 0 0 0 41.0550 -0.8150 58.1160 C 0 0 1 0 0 0 0 0 0 0 0 0 39.8950 1.7640 58.4170 C 0 0 1 0 0 0 0 0 0 0 0 0 40.1830 -0.1360 57.0400 C 0 0 1 0 0 0 0 0 0 0 0 0 39.4140 -1.1260 56.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 41.4760 2.5590 61.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 42.3310 3.7170 61.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 825440 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 43.0130 -11.4630 62.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 40.0880 -14.3780 62.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 39.6800 -12.1970 63.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 43.0470 -14.2620 62.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 42.4660 -11.5000 60.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 42.4030 -9.0780 63.9390 O 0 0 0 0 0 0 0 0 0 0 0 0 40.8760 -13.1890 62.0340 C 0 0 1 0 0 0 0 0 0 0 0 0 40.9620 -12.4650 63.3620 C 0 0 1 0 0 0 0 0 0 0 0 0 42.2560 -13.5430 61.5230 C 0 0 1 0 0 0 0 0 0 0 0 0 41.7720 -11.1660 63.1250 C 0 0 1 0 0 0 0 0 0 0 0 0 43.0690 -12.2270 61.3320 C 0 0 2 0 0 0 0 0 0 0 0 0 42.0990 -10.3880 64.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 825454 OpenBabel12061010053D 9 9 0 0 0 0 0 0 0 0999 V2000 6.2760 66.8920 -3.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7580 67.5320 -5.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1040 68.2490 -2.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3100 67.5070 -3.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2770 68.8880 -3.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6950 68.3090 -1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0640 69.6280 -2.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4390 69.0130 -0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6330 69.6690 -0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 4 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 8 9 1 0 0 0 0 M END $$$$ 825474 OpenBabel12061010053D 7 6 0 0 0 0 0 0 0 0999 V2000 -30.7920 -7.3630 -21.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 -32.6150 -7.8070 -22.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 -32.4160 -3.9170 -23.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 -30.1800 -5.4060 -23.2840 N 0 0 0 0 0 0 0 0 0 0 0 0 -31.4570 -5.5780 -22.5200 C 0 0 2 0 0 0 0 0 0 0 0 0 -31.5900 -6.9710 -21.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -32.6400 -5.2320 -23.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 5 4 1 6 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 M END $$$$ 825475 OpenBabel12061010053D 9 8 0 0 0 0 0 0 0 0999 V2000 1.4290 -5.1310 17.3960 P 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 -6.0650 18.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -5.2410 16.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8550 -5.5850 16.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -3.4110 20.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 -2.2860 19.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 -2.5130 18.3260 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 -3.3940 18.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 -3.0920 18.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 5 9 2 0 0 0 0 6 7 1 0 0 0 0 7 9 1 0 0 0 0 8 9 1 0 0 0 0 M END $$$$ 825479 OpenBabel12061010053D 33 35 0 0 0 0 0 0 0 0999 V2000 58.2210 14.8450 -276.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 58.7310 19.4540 -278.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 57.5800 14.0050 -274.9890 O 0 0 0 0 0 0 0 0 0 0 0 0 60.5410 19.7560 -277.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 59.4020 17.3740 -276.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 60.9390 14.6730 -276.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 57.9870 22.1410 -278.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 61.0370 11.9110 -275.8610 O 0 0 0 0 0 0 0 0 0 0 0 0 58.5800 10.5780 -275.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 62.4450 21.5590 -279.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 62.7200 17.9400 -278.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 55.6250 14.7790 -278.0530 N 0 0 0 0 0 0 0 0 0 0 0 0 55.9790 19.5200 -279.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 60.3910 23.4200 -279.0700 N 0 0 0 0 0 0 0 0 0 0 0 0 55.0390 12.6700 -274.9670 N 0 0 0 0 0 0 0 0 0 0 0 0 57.5290 16.0680 -277.1750 C 0 0 1 0 0 0 0 0 0 0 0 0 57.7910 18.5100 -277.8460 C 0 0 2 0 0 0 0 0 0 0 0 0 58.5250 17.1760 -277.5440 C 0 0 1 0 0 0 0 0 0 0 0 0 58.6450 14.7390 -275.6310 C 0 0 1 0 0 0 0 0 0 0 0 0 59.2200 20.2810 -277.2850 C 0 0 1 0 0 0 0 0 0 0 0 0 56.5610 15.8800 -278.3450 C 0 0 2 0 0 0 0 0 0 0 0 0 56.7380 18.2810 -278.9470 C 0 0 1 0 0 0 0 0 0 0 0 0 59.9810 14.0030 -275.5500 C 0 0 1 0 0 0 0 0 0 0 0 0 59.2680 21.7570 -277.6970 C 0 0 1 0 0 0 0 0 0 0 0 0 59.8190 12.5930 -276.0610 C 0 0 2 0 0 0 0 0 0 0 0 0 60.2550 21.9790 -278.8290 C 0 0 2 0 0 0 0 0 0 0 0 0 55.7730 17.1650 -278.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 58.7330 11.8970 -275.2690 C 0 0 1 0 0 0 0 0 0 0 0 0 57.4350 12.6560 -275.4800 C 0 0 1 0 0 0 0 0 0 0 0 0 61.5980 21.3960 -278.4720 C 0 0 1 0 0 0 0 0 0 0 0 0 61.4120 19.9130 -278.1790 C 0 0 1 0 0 0 0 0 0 0 0 0 56.3120 11.9870 -274.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 62.7440 19.2600 -277.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 3 19 1 0 0 0 0 3 29 1 0 0 0 0 4 20 1 0 0 0 0 4 31 1 0 0 0 0 11 33 1 0 0 0 0 15 32 1 0 0 0 0 16 1 1 6 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 17 2 1 6 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 5 1 1 0 0 0 19 1 1 6 0 0 0 19 23 1 0 0 0 0 20 2 1 6 0 0 0 20 24 1 0 0 0 0 21 12 1 1 0 0 0 21 27 1 0 0 0 0 22 13 1 1 0 0 0 22 27 1 0 0 0 0 23 6 1 6 0 0 0 23 25 1 0 0 0 0 24 7 1 6 0 0 0 24 26 1 0 0 0 0 25 8 1 1 0 0 0 25 28 1 0 0 0 0 26 14 1 1 0 0 0 26 30 1 0 0 0 0 28 9 1 6 0 0 0 28 29 1 0 0 0 0 29 32 1 1 0 0 0 30 10 1 6 0 0 0 30 31 1 0 0 0 0 31 33 1 1 0 0 0 M END $$$$ 825488 OpenBabel12061010053D 16 15 0 0 0 0 0 0 0 0999 V2000 -88.2710 -56.9880 66.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 -89.3090 -56.3680 65.9810 N 0 3 0 0 0 0 0 0 0 0 0 0 -89.3770 -54.9040 66.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -88.1530 -54.3000 67.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -88.4300 -52.7870 67.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -89.3890 -56.3410 64.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -90.4780 -57.1230 66.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -87.1190 -52.0850 67.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -86.5690 -52.4650 69.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -85.2590 -51.6430 69.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -85.2040 -51.1160 70.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -83.9410 -50.2620 70.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -84.2190 -49.6930 72.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -83.0730 -48.7920 72.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -82.9540 -48.9930 74.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -81.5250 -48.6800 74.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 M CHG 1 2 1 M END $$$$ 825489 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 -88.8200 -41.4900 39.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 -91.0710 -43.3230 39.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 -90.6770 -45.7870 37.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 -88.6270 -42.9160 39.6160 C 0 0 1 0 0 0 0 0 0 0 0 0 -89.7640 -43.6450 38.7420 C 0 0 1 0 0 0 0 0 0 0 0 0 -87.1950 -43.2290 39.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -89.6270 -45.1750 38.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -86.0030 -42.7160 39.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -84.6110 -42.9840 39.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -83.5270 -43.0730 40.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 3 7 1 0 0 0 0 4 1 1 6 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 2 1 1 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 M END $$$$ 825509 OpenBabel12061010053D 13 13 0 0 0 0 0 0 0 0999 V2000 -4.4490 19.3910 23.6420 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1800 18.8570 23.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1990 20.1270 24.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0830 20.3050 22.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1590 15.6230 24.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7060 17.0480 24.3880 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6200 17.9990 23.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8600 18.2040 24.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9870 18.6450 23.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9130 17.4720 23.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0970 16.2750 25.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7770 16.2350 23.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0340 15.1350 25.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 8 9 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 M END $$$$ 825517 OpenBabel12061010053D 11 11 0 0 0 0 0 0 0 0999 V2000 33.2560 78.4720 3.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 33.6380 78.0660 1.5650 O 0 0 0 0 0 0 0 0 0 0 0 0 34.0990 83.1990 3.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 36.0900 83.6920 3.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 35.3820 81.5280 2.5320 C 0 0 1 0 0 0 0 0 0 0 0 0 34.0540 79.4170 3.1280 C 0 0 2 0 0 0 0 0 0 0 0 0 34.8900 78.6670 2.0290 C 0 0 2 0 0 0 0 0 0 0 0 0 34.9520 80.5080 3.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7800 81.0720 1.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1510 83.0020 3.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5060 79.7380 1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 3 10 2 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 1 0 0 0 6 1 1 1 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 2 1 6 0 0 0 7 11 1 0 0 0 0 9 11 1 0 0 0 0 M END $$$$ 825611 OpenBabel12061010053D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.7690 29.4290 22.6520 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 25.6280 21.7910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 30.8610 30.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 32.7560 28.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 27.1870 23.4820 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 27.8960 21.3580 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 28.6520 23.6060 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2110 29.1130 22.1410 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7690 29.2430 24.1770 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1430 26.8150 22.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 29.9890 21.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 28.4050 25.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7630 28.9360 25.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5390 30.2670 26.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0560 30.2290 28.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7530 31.6040 28.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 31.7090 29.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 10 2 0 0 0 0 3 17 2 0 0 0 0 4 17 1 0 0 0 0 5 10 1 0 0 0 0 6 10 1 0 0 0 0 7 5 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 6 1 1 0 0 0 8 11 1 0 0 0 0 9 12 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 M END $$$$ 825625 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 24.7320 46.2160 -26.7120 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9430 47.9500 -30.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8950 46.3770 -29.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7910 44.3540 -25.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8040 48.2920 -29.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8950 49.1580 -28.7000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.5940 47.6890 -26.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 25.3120 47.8480 -28.4260 C 0 0 2 0 0 0 0 0 0 0 0 0 23.8930 47.7560 -29.0110 C 0 0 2 0 0 0 0 0 0 0 0 0 23.2630 46.3840 -28.7000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.2250 47.5540 -26.9130 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3650 46.0420 -27.1870 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9740 44.5900 -26.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1000 49.2680 -29.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6150 50.6780 -29.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 825633 OpenBabel12061010053D 19 20 0 0 0 0 0 0 0 0999 V2000 11.6120 -28.9750 5.7500 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.7770 -23.9810 3.7890 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2040 -29.5030 3.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0590 -31.2780 4.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3360 -33.7570 6.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1440 -33.7290 6.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3220 -27.9130 3.6450 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3430 -28.2070 4.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5710 -29.4500 4.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5290 -27.2680 3.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3830 -29.1940 4.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6110 -27.8050 4.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9300 -25.9410 3.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1780 -30.0400 3.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2180 -25.5970 4.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0690 -26.5110 4.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0690 -30.7220 5.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0970 -31.8570 5.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2580 -33.1590 5.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 15 1 0 0 0 0 3 14 2 0 0 0 0 4 14 1 0 0 0 0 5 19 2 0 0 0 0 6 19 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 11 2 0 0 0 0 9 17 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 12 16 2 0 0 0 0 13 15 2 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 M END $$$$ 825709 OpenBabel12061010053D 23 26 0 0 0 0 0 0 0 0999 V2000 17.0130 8.7790 32.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0730 12.2180 29.9750 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3650 9.6400 32.5950 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8920 11.1350 32.6480 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8360 9.9180 32.3720 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4160 11.2390 32.8980 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1810 10.4840 31.7810 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1180 8.9350 31.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8980 11.8070 33.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5630 11.0270 33.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7460 10.5010 31.9740 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5690 8.8620 33.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6630 9.0100 31.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9160 12.7010 32.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5140 10.4130 30.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2430 11.9650 32.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4540 12.8030 33.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3860 9.8500 30.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3130 12.4870 31.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5480 7.3340 33.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1380 11.7200 30.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8060 10.2670 30.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2360 10.7760 29.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 2 21 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 12 1 1 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 5 1 1 1 0 0 0 5 10 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 6 0 0 0 7 11 1 0 0 0 0 7 13 1 1 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 11 16 1 6 0 0 0 11 18 1 0 0 0 0 12 20 1 0 0 0 0 14 17 1 0 0 0 0 15 23 3 0 0 0 0 16 17 1 0 0 0 0 16 19 2 0 0 0 0 18 22 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 M END $$$$ 825747 OpenBabel12061010053D 29 30 0 0 0 0 0 0 0 0999 V2000 4.2020 15.5780 32.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6010 16.7260 34.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5590 15.6330 30.9960 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8880 14.9790 34.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 17.1240 33.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 18.8810 35.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7600 13.3310 31.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9720 16.3840 28.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9010 16.8050 37.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 14.2290 31.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9130 14.9420 35.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7560 16.4580 31.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4010 13.6570 33.9660 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6270 15.6960 32.4220 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4300 16.6910 32.9230 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9630 16.4230 32.6130 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2500 14.6470 33.3460 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1130 15.5270 30.9890 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7760 14.7270 33.2220 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1000 17.4900 33.2820 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4650 17.7240 34.7400 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9640 17.9000 34.9440 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2060 14.5810 31.7600 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5800 16.6320 30.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3450 17.9610 36.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4350 15.2250 30.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9090 13.8830 35.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 15.3680 29.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4200 12.5780 35.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 2 15 1 0 0 0 0 2 22 1 0 0 0 0 3 18 1 0 0 0 0 3 23 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 10 26 2 0 0 0 0 11 27 2 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 1 1 6 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 15 1 1 1 0 0 0 15 16 1 0 0 0 0 16 12 1 6 0 0 0 16 20 1 0 0 0 0 17 4 1 1 0 0 0 17 19 1 0 0 0 0 18 24 1 1 0 0 0 19 13 1 6 0 0 0 19 23 1 0 0 0 0 20 5 1 1 0 0 0 20 21 1 0 0 0 0 21 6 1 6 0 0 0 21 22 1 0 0 0 0 22 25 1 1 0 0 0 23 7 1 1 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 M END $$$$ 825749 OpenBabel12061010053D 17 18 0 0 0 0 0 0 0 0999 V2000 -41.0800 42.3120 7.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 -44.0190 42.3610 10.6770 O 0 0 0 0 0 0 0 0 0 0 0 0 -37.5920 37.0540 3.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 -42.3960 43.7380 9.6970 O 0 0 0 0 0 0 0 0 0 0 0 0 -40.6100 41.7170 6.4310 N 0 0 0 0 0 0 0 0 0 0 0 0 -40.0890 40.6040 6.7550 C 0 0 1 0 0 0 0 0 0 0 0 0 -39.4380 39.6620 5.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -40.8800 41.5740 8.7110 C 0 0 2 0 0 0 0 0 0 0 0 0 -40.1670 40.3040 8.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -39.6370 39.8230 4.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -38.6160 38.6200 6.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -42.1790 41.3400 9.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -38.2030 37.9160 3.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -39.0270 38.9580 3.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -38.0070 37.7590 5.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -42.8590 42.6230 9.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -44.2640 43.1190 11.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 13 1 0 0 0 0 4 16 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 1 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 6 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 M END $$$$ 825765 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 75.4540 67.0500 19.3920 S 0 0 0 0 0 0 0 0 0 0 0 0 75.7900 68.1610 18.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 76.8050 66.1980 19.7920 O 0 0 0 0 0 0 0 0 0 0 0 0 74.7550 67.3050 20.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 79.1940 61.1950 21.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 74.5860 64.2960 20.4370 N 0 0 0 0 0 0 0 0 0 0 0 0 75.9220 61.7890 21.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 74.3610 65.8370 18.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 73.5590 65.0410 19.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 74.0500 63.4510 21.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 75.4750 63.5540 19.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 75.0380 62.4220 22.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 76.6000 62.8550 20.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 76.8220 60.7010 21.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 77.9390 61.1480 22.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 M END $$$$ 825767 OpenBabel12061010053D 16 17 0 0 0 0 0 0 0 0999 V2000 24.7250 22.7320 14.4020 Cl 0 0 0 0 0 0 0 0 0 0 0 0 22.0860 23.3850 19.3260 Cl 0 0 0 0 0 0 0 0 0 0 0 0 20.5990 23.2740 16.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9570 21.2260 15.7270 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3820 23.0370 16.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5130 21.8290 16.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1530 22.0200 16.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3720 23.4930 15.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2290 23.7830 18.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2840 20.9340 16.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0070 20.5060 16.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1650 24.6360 16.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0210 24.9270 18.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7750 19.6100 16.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1460 19.3960 16.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9880 25.3570 17.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 3 7 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 2 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 11 15 2 0 0 0 0 12 16 1 0 0 0 0 13 16 2 0 0 0 0 14 15 1 0 0 0 0 M END $$$$ 825777 OpenBabel12061010053D 15 16 0 0 0 0 0 0 0 0999 V2000 64.6780 25.7840 46.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 66.5290 29.3290 46.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 65.0840 29.3750 48.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 62.0330 28.7320 49.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 65.9170 26.9160 45.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 66.5230 24.6380 45.8000 N 0 0 0 0 0 0 0 0 0 0 0 0 63.9050 26.9740 46.3660 C 0 0 2 0 0 0 0 0 0 0 0 0 64.9380 27.8060 45.6370 C 0 0 1 0 0 0 0 0 0 0 0 0 63.6500 27.7420 47.6730 C 0 0 1 0 0 0 0 0 0 0 0 0 65.6800 28.4370 46.7520 C 0 0 2 0 0 0 0 0 0 0 0 0 64.5700 28.9510 47.5730 C 0 0 2 0 0 0 0 0 0 0 0 0 65.7660 25.7640 45.7990 C 0 0 1 0 0 0 0 0 0 0 0 0 62.1870 28.0400 47.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 67.8970 24.6940 45.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 65.9770 23.3610 46.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 12 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 1 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 5 1 1 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 6 0 0 0 10 2 1 6 0 0 0 10 11 1 0 0 0 0 11 3 1 1 0 0 0 12 6 1 1 0 0 0 M END $$$$ 825779 OpenBabel12061010053D 26 27 0 0 0 0 0 0 0 0999 V2000 78.9590 7.9340 28.6060 S 0 0 0 0 0 0 0 0 0 0 0 0 81.7310 5.2480 25.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 83.3060 6.0850 27.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 78.0250 3.2560 28.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 76.1250 3.9920 29.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 78.6110 6.9280 31.7040 O 0 0 0 0 0 0 0 0 0 0 0 0 85.5390 7.0770 30.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 79.7850 5.5660 27.8530 N 0 0 0 0 0 0 0 0 0 0 0 0 78.7950 5.0500 30.4160 N 0 0 0 0 0 0 0 0 0 0 0 0 79.8620 5.4780 33.7630 N 0 0 0 0 0 0 0 0 0 0 0 0 80.6790 7.8500 27.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 81.0420 6.3180 27.9130 C 0 0 2 0 0 0 0 0 0 0 0 0 78.5250 6.2640 28.1350 C 0 0 1 0 0 0 0 0 0 0 0 0 77.9280 5.4400 29.3360 C 0 0 1 0 0 0 0 0 0 0 0 0 82.1120 5.8410 26.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 77.4590 4.1040 28.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 81.5830 8.6280 28.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 80.6700 8.4930 26.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 79.1380 5.8470 31.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 80.2550 5.3000 32.3350 C 0 0 1 0 0 0 0 0 0 0 0 0 81.6670 5.8020 31.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 82.1250 7.0390 32.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 82.5360 5.0450 31.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 84.2670 6.7350 31.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 83.4160 7.5120 32.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 83.8030 5.5240 30.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 15 2 0 0 0 0 3 15 1 0 0 0 0 4 16 2 0 0 0 0 5 16 1 0 0 0 0 6 19 2 0 0 0 0 7 24 1 0 0 0 0 8 12 1 0 0 0 0 9 19 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 15 1 6 0 0 0 13 8 1 1 0 0 0 13 1 1 0 0 0 0 13 14 1 0 0 0 0 14 9 1 6 0 0 0 14 16 1 0 0 0 0 20 19 1 1 0 0 0 20 10 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 25 1 0 0 0 0 23 26 2 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M END $$$$ 825792 OpenBabel12061010053D 24 25 0 0 0 0 0 0 0 0999 V2000 -10.2840 20.8270 2.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3690 20.0070 2.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5500 17.3920 2.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7880 17.6320 5.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9630 19.6350 5.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1560 23.4230 3.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7880 25.5210 0.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.1160 24.8490 2.6650 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.6660 20.4020 -2.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.3170 24.7220 1.4400 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.5600 22.4080 -2.8670 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.9720 19.7560 2.0940 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.7930 18.5110 2.9040 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.1730 18.8090 4.4030 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.3780 19.9610 4.9600 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.6180 21.1220 4.0650 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.7950 21.0690 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3070 23.3300 0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5380 21.7670 -0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8690 22.3390 1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1250 20.7250 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6450 23.0870 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7370 22.3610 4.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9370 21.4820 -2.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 2 17 1 0 0 0 0 6 23 1 0 0 0 0 7 10 2 0 0 0 0 8 10 2 0 0 0 0 9 24 2 0 0 0 0 10 18 1 0 0 0 0 11 24 1 0 0 0 0 12 2 1 1 0 0 0 12 13 1 0 0 0 0 13 3 1 1 0 0 0 13 14 1 0 0 0 0 14 4 1 6 0 0 0 14 15 1 0 0 0 0 15 5 1 6 0 0 0 15 16 1 0 0 0 0 16 23 1 6 0 0 0 17 20 1 0 0 0 0 17 21 2 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 21 1 0 0 0 0 19 22 2 0 0 0 0 19 24 1 0 0 0 0 M END $$$$ 825825 OpenBabel12061010053D 27 31 0 0 0 0 0 0 0 0999 V2000 10.8260 -25.8640 38.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2290 -23.2600 37.9230 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5550 -28.4820 37.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7810 -21.2910 37.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7890 -25.7250 37.6810 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9670 -24.3160 36.9930 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4180 -25.9580 38.3610 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2220 -25.7460 37.3730 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2030 -24.5060 36.1160 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8660 -25.9750 38.1050 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2620 -26.6830 36.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7370 -24.1550 36.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3750 -24.3500 36.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5550 -26.0420 36.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8630 -27.3850 38.6570 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3920 -27.3110 39.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4200 -23.7390 36.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0690 -23.1180 37.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0040 -27.6700 39.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7050 -25.8560 37.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5120 -24.8810 39.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9340 -28.4260 37.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9040 -22.5240 36.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2230 -24.2640 37.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8600 -26.8500 35.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8350 -28.2570 36.4940 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0390 -22.2080 37.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 2 24 1 0 0 0 0 2 27 1 0 0 0 0 4 27 2 0 0 0 0 5 1 1 1 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 18 1 1 0 0 0 7 8 1 0 0 0 0 7 16 1 6 0 0 0 8 10 1 0 0 0 0 8 13 1 1 0 0 0 9 14 1 0 0 0 0 9 17 1 1 0 0 0 10 15 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 1 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 15 19 1 6 0 0 0 15 22 1 0 0 0 0 16 19 1 0 0 0 0 17 23 2 0 0 0 0 17 24 1 0 0 0 0 20 25 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 25 26 1 0 0 0 0 26 3 1 1 0 0 0 M END $$$$ 825826 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 30.2800 -4.2650 47.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1770 -8.0010 49.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 32.6850 -6.5500 49.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 32.5620 -5.0000 46.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5140 -7.8230 51.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0330 -6.0480 50.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 27.9540 -3.9600 47.8060 N 0 0 0 0 0 0 0 0 0 0 0 0 28.9680 -5.9450 48.9080 C 0 0 2 0 0 0 0 0 0 0 0 0 30.2910 -6.5700 49.3910 C 0 0 2 0 0 0 0 0 0 0 0 0 31.5030 -6.1380 48.5470 C 0 0 1 0 0 0 0 0 0 0 0 0 29.1180 -4.4850 48.4840 C 0 0 1 0 0 0 0 0 0 0 0 0 31.5000 -4.6570 48.3590 C 0 0 1 0 0 0 0 0 0 0 0 0 32.6110 -4.2690 47.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7780 -7.2570 50.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4820 -7.9270 50.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 825834 OpenBabel12061010053D 9 9 0 0 0 0 0 0 0 0999 V2000 40.2760 87.5390 77.5400 N 0 0 0 0 0 0 0 0 0 0 0 0 37.9870 87.1950 77.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 39.5990 87.0020 75.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.2850 87.2660 76.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 38.6460 86.4850 74.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 40.9320 87.2770 74.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 38.9980 86.2400 73.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 41.3070 87.0390 73.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 40.3200 86.5170 72.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 4 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 8 9 1 0 0 0 0 M END $$$$ 825864 OpenBabel12061010053D 21 22 0 0 0 0 0 0 0 0999 V2000 28.3670 50.9930 22.0520 P 0 0 0 0 0 0 0 0 0 0 0 0 29.6700 47.7790 25.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3220 50.3010 23.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 31.6310 45.6670 23.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 32.4980 48.1710 24.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5470 46.4360 23.9760 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2150 51.8410 21.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6010 50.0680 21.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4890 52.0620 22.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0410 42.8110 26.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 28.9370 45.5270 25.5630 N 0 0 0 0 0 0 0 0 0 0 0 0 29.1210 44.5470 26.5310 N 0 0 0 0 0 0 0 0 0 0 0 0 26.8010 44.6120 25.1500 N 0 0 0 0 0 0 0 0 0 0 0 0 30.0170 46.4930 25.3460 C 0 0 1 0 0 0 0 0 0 0 0 0 30.6340 46.6530 23.9590 C 0 0 1 0 0 0 0 0 0 0 0 0 30.1100 48.7710 24.8460 C 0 0 1 0 0 0 0 0 0 0 0 0 31.1520 48.0940 23.9720 C 0 0 1 0 0 0 0 0 0 0 0 0 27.7260 45.5840 24.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8710 49.3620 24.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9500 43.5940 26.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2090 43.6220 26.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 3 19 1 0 0 0 0 6 18 2 0 0 0 0 10 20 2 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 21 2 0 0 0 0 13 18 1 0 0 0 0 13 20 1 0 0 0 0 14 11 1 6 0 0 0 14 15 1 0 0 0 0 15 4 1 1 0 0 0 15 17 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 6 0 0 0 17 5 1 1 0 0 0 20 21 1 0 0 0 0 M END $$$$ 825866 OpenBabel12061010053D 24 26 0 0 0 0 0 0 0 0999 V2000 8.8520 -0.5210 10.9790 P 0 0 0 0 0 0 0 0 0 0 0 0 11.7100 3.4900 10.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6310 0.8510 11.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4400 2.4340 9.5640 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7820 5.7170 4.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2930 -0.8790 12.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8610 -0.2100 9.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9140 -1.4600 10.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5670 1.3270 9.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8140 4.5120 8.4720 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5710 6.1200 6.9350 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2290 2.9340 7.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6070 3.7520 4.9750 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4420 1.7070 5.6500 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5050 3.7590 9.7220 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8760 2.3920 9.4110 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5310 4.0990 7.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5430 1.4270 10.3660 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5860 2.2470 11.1250 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3500 5.0900 6.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2910 5.7250 8.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9140 4.9400 5.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7500 2.8080 5.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9700 1.5390 11.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 15 1 0 0 0 0 2 19 1 0 0 0 0 5 22 2 0 0 0 0 9 24 1 0 0 0 0 10 17 1 0 0 0 0 10 21 1 0 0 0 0 11 20 1 0 0 0 0 11 21 2 0 0 0 0 12 17 1 0 0 0 0 12 23 2 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 23 1 0 0 0 0 15 10 1 6 0 0 0 15 16 1 0 0 0 0 16 4 1 1 0 0 0 16 18 1 0 0 0 0 17 20 2 0 0 0 0 18 3 1 1 0 0 0 18 19 1 0 0 0 0 19 24 1 6 0 0 0 20 22 1 0 0 0 0 M END $$$$ 825932 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 18.3840 -19.6840 36.6870 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8050 -21.9510 38.7970 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6040 -20.6070 33.4920 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0520 -25.2800 37.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4440 -19.7910 37.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0070 -20.7470 38.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5030 -19.2800 35.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0400 -22.9130 37.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2830 -19.6220 34.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1390 -24.2880 38.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 M END $$$$ 825940 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 32.4140 49.4730 19.2460 P 0 0 0 0 0 0 0 0 0 0 0 0 32.7330 50.5730 20.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 32.9940 48.1940 19.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 32.9670 49.8960 17.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 30.8780 49.6430 19.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 32.7080 53.1990 20.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 34.8540 53.3670 20.8990 O 0 0 0 0 0 0 0 0 0 0 0 0 33.9870 51.1730 20.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7770 52.6890 20.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1220 50.5080 20.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 8 1 0 0 0 0 6 9 2 0 0 0 0 7 9 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 M END $$$$ 825941 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 32.3030 49.3900 19.2830 P 0 0 0 0 0 0 0 0 0 0 0 0 32.4910 50.3830 20.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 33.0090 48.1330 19.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 32.8340 50.0500 18.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 30.7640 49.3280 19.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 32.4050 53.1060 19.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 34.2550 53.4720 20.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 33.6180 51.1730 20.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3560 52.6800 20.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7920 50.6320 21.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 8 1 0 0 0 0 6 9 2 0 0 0 0 7 9 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 M END $$$$ 825947 OpenBabel12061010053D 24 26 0 0 0 0 0 0 0 0999 V2000 18.9640 42.8840 61.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3410 44.4930 59.4650 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3920 41.0080 58.9370 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9790 41.6370 57.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9380 44.4580 54.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8950 45.2560 54.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7910 40.0200 63.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9740 40.1200 63.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1040 43.2800 57.1400 N 0 0 0 0 0 0 0 0 0 0 0 0 21.3230 41.6530 61.7790 N 0 0 0 0 0 0 0 0 0 0 0 0 21.9580 42.2420 59.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4790 43.0620 58.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0690 42.2400 60.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2710 43.7900 58.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2010 41.5470 59.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7470 42.9800 60.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3220 43.8190 59.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3500 44.1260 56.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2070 44.4550 57.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5000 41.0070 61.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4400 40.9330 60.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2740 41.4140 58.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7570 44.6580 54.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7800 40.3240 63.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 17 1 0 0 0 0 3 22 2 0 0 0 0 4 22 1 0 0 0 0 5 23 2 0 0 0 0 6 23 1 0 0 0 0 7 24 2 0 0 0 0 8 24 1 0 0 0 0 9 12 1 0 0 0 0 9 18 1 0 0 0 0 10 13 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 2 0 0 0 0 12 14 2 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 16 17 2 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 M END $$$$ 825956 OpenBabel12061010053D 10 10 0 0 0 0 0 0 0 0999 V2000 17.0030 104.9570 54.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2480 104.2590 55.6120 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8950 105.1500 60.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4080 104.6630 55.6670 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0540 104.7850 56.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3680 105.2460 57.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3320 104.4330 58.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2680 105.0220 59.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9760 105.3620 58.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9430 104.5540 59.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 4 2 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 M END $$$$ 825998 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 22.7460 19.9380 40.6650 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1420 21.2840 43.7140 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9230 22.0660 43.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5560 17.8540 41.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4400 21.5820 39.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6430 18.4120 45.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2540 18.6530 43.3720 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4270 19.5280 42.9530 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8370 20.8710 42.5620 C 0 0 2 0 0 0 0 0 0 0 0 0 21.9520 21.9060 42.1830 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5340 19.1560 41.9070 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5960 21.4300 40.7630 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9710 22.0160 40.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9440 18.2010 44.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6950 17.3540 44.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 8 7 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 4 1 6 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 826025 OpenBabel12061010053D 17 17 0 0 0 0 0 0 0 0999 V2000 -5.8750 0.9760 16.7220 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9800 7.1000 12.2290 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.2940 1.0670 16.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3230 1.1210 18.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4670 6.3820 12.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5850 5.6380 13.8710 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3440 -0.3490 16.0450 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2230 2.3320 15.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1090 4.5070 14.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0240 3.3900 15.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8810 2.3550 15.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4770 4.4450 14.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3020 3.4230 14.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1130 6.1930 12.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2040 7.4810 11.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7300 6.7080 10.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1310 7.8750 9.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 14 2 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 14 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 M END $$$$ 826050 OpenBabel12061010053D 20 23 0 0 0 0 0 0 0 0999 V2000 -1.4960 -35.7580 22.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 -37.4830 21.0700 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -35.9300 23.2150 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8780 -36.6240 21.3920 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 -36.9650 18.9200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 -36.6640 21.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -36.8050 20.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 -38.6740 20.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1150 -36.0040 22.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -35.9970 20.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 -35.9140 22.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0320 -35.3160 23.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 -39.7610 21.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4830 -39.9220 20.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 -35.3400 20.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3720 -35.2770 23.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7630 -35.9380 22.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -36.3310 18.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -35.5020 18.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 -34.6340 25.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 4 6 2 0 0 0 0 4 17 1 0 0 0 0 5 7 1 0 0 0 0 5 18 2 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 12 16 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 15 19 2 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 M END $$$$ 826062 OpenBabel12061010053D 54 58 0 0 0 0 0 0 0 0999 V2000 14.4490 57.3410 27.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7920 58.8730 28.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1630 59.4230 30.4640 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5830 56.6530 25.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9580 51.7490 21.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8570 59.5800 33.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4790 51.4720 18.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7370 59.6810 27.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4090 61.2820 29.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4540 57.5040 26.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0120 54.7570 26.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3990 50.4310 25.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1090 49.5270 23.1560 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9040 61.0180 32.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9580 60.9120 35.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2250 50.2490 20.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5300 58.5360 34.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9000 57.3540 26.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6420 51.1620 18.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2840 53.0280 17.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5670 52.2070 21.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2280 59.7090 30.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3070 53.0900 25.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6160 58.2570 27.2490 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7440 57.4040 25.9270 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2370 54.5620 25.1860 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2590 59.8760 29.0890 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9600 59.1850 28.3010 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9060 60.3650 28.5990 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8930 57.7300 27.9450 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2950 56.7900 25.9360 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3380 55.2580 26.2330 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2180 52.2570 24.8720 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9210 51.2440 22.1040 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9270 59.9710 31.5610 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6610 55.1940 25.3050 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7700 50.8400 24.6520 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6540 50.8030 23.3880 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7180 52.1590 22.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9930 60.1450 32.7700 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3970 52.6060 23.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1250 59.0200 31.9340 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1120 50.8820 19.9740 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7940 60.7300 33.9550 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5900 50.4850 19.7080 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0000 59.7820 34.2800 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6790 56.7790 27.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3530 51.6200 18.9740 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5640 52.0360 17.7320 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1730 52.5570 18.1900 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9110 52.6460 21.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6330 54.6030 24.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1170 58.8450 30.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3070 53.0550 17.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2 27 1 0 0 0 0 2 30 1 0 0 0 0 4 25 1 0 0 0 0 4 36 1 0 0 0 0 6 42 1 0 0 0 0 6 46 1 0 0 0 0 7 43 1 0 0 0 0 7 50 1 0 0 0 0 18 47 1 0 0 0 0 21 51 1 0 0 0 0 22 53 1 0 0 0 0 24 1 1 1 0 0 0 24 28 1 0 0 0 0 24 30 1 0 0 0 0 25 1 1 1 0 0 0 25 31 1 0 0 0 0 26 23 1 1 0 0 0 26 32 1 0 0 0 0 26 36 1 0 0 0 0 27 3 1 1 0 0 0 27 29 1 0 0 0 0 28 8 1 6 0 0 0 28 29 1 0 0 0 0 29 9 1 1 0 0 0 30 47 1 6 0 0 0 31 10 1 1 0 0 0 31 32 1 0 0 0 0 32 11 1 6 0 0 0 33 23 1 6 0 0 0 33 37 1 0 0 0 0 33 41 1 0 0 0 0 34 5 1 1 0 0 0 34 38 1 0 0 0 0 34 39 1 0 0 0 0 35 3 1 1 0 0 0 35 40 1 0 0 0 0 35 42 1 0 0 0 0 36 52 1 6 0 0 0 37 12 1 1 0 0 0 37 38 1 0 0 0 0 38 13 1 6 0 0 0 39 41 2 0 0 0 0 39 51 1 0 0 0 0 40 14 1 6 0 0 0 40 44 1 0 0 0 0 42 53 1 6 0 0 0 43 5 1 6 0 0 0 43 45 1 0 0 0 0 44 15 1 1 0 0 0 44 46 1 0 0 0 0 45 16 1 1 0 0 0 45 48 1 0 0 0 0 46 17 1 6 0 0 0 48 19 1 6 0 0 0 48 49 1 0 0 0 0 49 20 1 1 0 0 0 49 50 1 0 0 0 0 50 54 1 6 0 0 0 M END $$$$ 826080 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 74.8110 39.9660 57.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 76.8490 36.6160 57.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 77.1350 38.7360 59.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 75.7830 42.2510 57.3670 O 0 0 0 0 0 0 0 0 0 0 0 0 75.9200 35.5600 56.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 74.1950 36.3370 57.2230 N 0 0 0 0 0 0 0 0 0 0 0 0 73.2520 38.6480 56.1330 N 0 0 0 0 0 0 0 0 0 0 0 0 74.8750 37.6180 57.1430 C 0 0 2 0 0 0 0 0 0 0 0 0 75.9160 37.5610 58.2060 C 0 0 2 0 0 0 0 0 0 0 0 0 76.6290 38.8670 58.3550 C 0 0 1 0 0 0 0 0 0 0 0 0 74.0030 38.8320 57.3580 C 0 0 1 0 0 0 0 0 0 0 0 0 75.7370 40.0830 58.3030 C 0 0 1 0 0 0 0 0 0 0 0 0 76.5880 41.3050 58.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 74.8190 35.3510 56.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 74.1140 34.0220 56.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 826090 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 34.0490 6.4990 36.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 29.8110 5.8500 37.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 30.8670 6.1950 34.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 34.4850 6.0330 38.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 33.0250 6.9340 33.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 31.6430 6.9200 41.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 31.7560 5.1450 39.5270 N 0 0 0 0 0 0 0 0 0 0 0 0 32.1220 5.9730 38.2860 C 0 0 2 0 0 0 0 0 0 0 0 0 31.2210 5.5830 37.0350 C 0 0 2 0 0 0 0 0 0 0 0 0 31.6580 6.4920 35.8180 C 0 0 1 0 0 0 0 0 0 0 0 0 33.6240 5.6910 37.9130 C 0 0 1 0 0 0 0 0 0 0 0 0 33.1940 6.2170 35.4880 C 0 0 1 0 0 0 0 0 0 0 0 0 33.7340 7.0900 34.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5550 5.7190 40.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2110 4.6780 41.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 8 7 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 4 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 826111 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 11.1350 -8.5060 30.8780 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2430 -11.5120 30.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4090 -8.9470 31.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4420 -5.8340 31.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2130 -13.1210 30.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9160 -11.9210 29.5680 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9230 -9.9770 30.1560 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6280 -10.8210 30.4510 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1260 -10.4420 30.3260 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7890 -9.2620 31.2280 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4980 -9.6370 30.0450 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7200 -8.0830 30.8250 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5720 -6.8540 31.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6780 -12.9650 29.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7980 -13.9390 28.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 826123 OpenBabel12061010053D 25 26 0 0 0 0 0 0 0 0999 V2000 -11.4960 -56.4940 47.0040 P 0 0 0 0 0 0 0 0 0 0 0 0 -13.2130 -58.8070 46.5830 P 0 0 0 0 0 0 0 0 0 0 0 0 -11.6450 -52.1660 46.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0360 -55.0220 46.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8760 -57.2590 46.8070 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3810 -51.8110 43.8610 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9860 -54.3600 43.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5720 -56.7820 45.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9200 -56.5890 48.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1510 -50.0270 46.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.6610 -58.8540 46.8860 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8850 -59.0570 45.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2840 -59.7270 47.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1920 -50.9640 51.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8310 -51.4710 47.4920 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2530 -50.5580 49.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.3330 -51.5740 46.0880 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.6940 -53.2920 45.1660 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.4820 -52.4300 45.1240 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.2460 -53.7550 45.0740 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.6640 -54.3450 45.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7150 -50.6520 47.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4630 -52.1760 48.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7580 -51.1870 50.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0100 -52.1160 49.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 11 2 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 21 1 0 0 0 0 10 22 2 0 0 0 0 14 24 2 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 22 1 0 0 0 0 16 24 1 0 0 0 0 17 15 1 1 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 1 0 0 0 19 6 1 6 0 0 0 19 20 1 0 0 0 0 20 7 1 6 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 M END $$$$ 826144 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 -3.8550 66.1930 10.5930 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8960 68.2630 7.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 68.7800 8.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3270 64.4470 10.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 66.6630 11.3430 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9780 64.6950 9.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2350 65.2960 7.9270 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6180 66.1560 8.9200 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9220 67.3270 8.1960 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8380 68.0450 9.0220 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6360 65.3330 9.7600 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9960 67.0380 9.8050 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9880 67.6630 10.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2380 64.4890 8.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4580 63.2700 7.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 8 7 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 4 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 826196 OpenBabel12061010053D 52 54 0 0 0 0 0 0 0 0999 V2000 66.3390 131.7380 92.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 69.1680 133.5160 94.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 70.9460 132.1490 93.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 68.4190 137.7030 92.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 67.1950 129.5970 92.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 69.0610 131.1970 96.6980 O 0 0 0 0 0 0 0 0 0 0 0 0 68.3220 133.6100 90.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 70.4690 129.1110 95.8130 O 0 0 0 0 0 0 0 0 0 0 0 0 67.6890 139.8280 89.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 70.4990 136.7350 92.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 64.7190 131.0740 95.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 69.2030 137.6990 88.7970 O 0 0 0 0 0 0 0 0 0 0 0 0 67.1030 135.3430 88.3040 N 0 0 0 0 0 0 0 0 0 0 0 0 64.6010 128.2510 96.1710 N 0 0 0 0 0 0 0 0 0 0 0 0 67.4830 132.5290 92.2640 C 0 0 2 0 0 0 0 0 0 0 0 0 67.4480 134.0330 92.8320 C 0 0 2 0 0 0 0 0 0 0 0 0 68.8560 134.3710 93.4160 C 0 0 1 0 0 0 0 0 0 0 0 0 67.4270 132.5910 90.6800 C 0 0 1 0 0 0 0 0 0 0 0 0 70.5030 131.3860 96.6270 C 0 0 1 0 0 0 0 0 0 0 0 0 70.5860 133.1920 94.7220 C 0 0 2 0 0 0 0 0 0 0 0 0 68.8350 135.9400 93.9300 C 0 0 2 0 0 0 0 0 0 0 0 0 70.9560 130.3970 95.4950 C 0 0 2 0 0 0 0 0 0 0 0 0 66.6110 130.5890 93.6270 C 0 0 2 0 0 0 0 0 0 0 0 0 67.6190 138.6450 90.3410 C 0 0 2 0 0 0 0 0 0 0 0 0 70.9160 132.8600 96.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 70.4610 130.8370 94.0970 C 0 0 2 0 0 0 0 0 0 0 0 0 69.3510 136.8150 92.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 68.7630 138.7550 91.4420 C 0 0 1 0 0 0 0 0 0 0 0 0 65.3170 130.0950 94.3610 C 0 0 1 0 0 0 0 0 0 0 0 0 65.9420 132.9570 90.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 67.9950 137.3520 89.4990 C 0 0 1 0 0 0 0 0 0 0 0 0 65.7140 128.8580 95.2390 C 0 0 2 0 0 0 0 0 0 0 0 0 66.8900 136.8410 88.5910 C 0 0 1 0 0 0 0 0 0 0 0 0 65.8150 133.1260 88.6110 C 0 0 2 0 0 0 0 0 0 0 0 0 66.2570 134.2920 93.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 67.9030 131.2550 90.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 67.5780 128.3650 93.5380 C 0 0 1 0 0 0 0 0 0 0 0 0 66.3450 127.7630 94.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 71.1670 130.9810 97.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 65.7450 134.6800 88.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 69.6490 136.3170 95.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 68.7620 140.1040 92.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 66.2220 138.6080 90.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 71.0410 129.9120 93.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 66.6640 137.7220 87.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 64.4470 132.5290 88.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 68.2500 132.1250 97.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 68.1520 127.4900 92.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 67.9710 135.0440 87.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 64.7940 126.8920 96.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 64.1440 129.1390 97.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 69.9630 140.2550 93.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 3 20 1 0 0 0 0 3 26 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 23 1 0 0 0 0 5 37 1 0 0 0 0 6 47 1 0 0 0 0 10 27 2 0 0 0 0 13 33 1 0 0 0 0 13 40 1 0 0 0 0 13 49 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 1 1 6 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 1 0 0 0 17 2 1 1 0 0 0 17 21 1 0 0 0 0 18 7 1 6 0 0 0 18 30 1 0 0 0 0 18 36 1 0 0 0 0 19 6 1 1 0 0 0 19 22 1 0 0 0 0 19 25 1 0 0 0 0 19 39 1 0 0 0 0 20 2 1 1 0 0 0 20 25 1 0 0 0 0 21 27 1 0 0 0 0 21 41 1 6 0 0 0 22 8 1 1 0 0 0 22 26 1 0 0 0 0 23 1 1 6 0 0 0 23 29 1 0 0 0 0 24 9 1 6 0 0 0 24 28 1 0 0 0 0 24 31 1 0 0 0 0 24 43 1 0 0 0 0 26 44 1 1 0 0 0 28 42 1 1 0 0 0 29 11 1 1 0 0 0 29 32 1 0 0 0 0 30 34 1 0 0 0 0 31 12 1 6 0 0 0 31 33 1 0 0 0 0 32 14 1 6 0 0 0 32 38 1 0 0 0 0 33 45 1 6 0 0 0 34 40 1 0 0 0 0 34 46 1 1 0 0 0 37 38 1 0 0 0 0 37 48 1 6 0 0 0 42 52 1 0 0 0 0 M END $$$$ 826213 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 12.2130 10.2180 47.8620 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6420 14.3520 47.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5550 12.1330 45.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7130 12.8090 48.6570 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3540 9.8220 48.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4720 8.6660 48.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3660 13.0830 48.0130 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1870 12.3810 47.2080 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6230 12.2270 47.9500 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9160 10.9940 47.8750 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3690 10.8520 48.5500 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8640 9.9460 47.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 826214 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 15.6700 6.1130 49.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3540 9.8220 48.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7080 7.3170 47.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8380 7.4850 51.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4650 4.4400 47.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7700 10.3590 48.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7630 9.5050 49.9880 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0520 8.5010 49.3160 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5530 8.6920 49.1030 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9680 7.4560 48.3550 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3250 7.3020 50.2080 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1960 6.2120 49.3070 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6540 4.9120 48.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5830 10.3760 49.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3020 11.4090 50.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 8 7 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 4 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 826228 OpenBabel12061010053D 20 22 0 0 0 0 0 0 0 0999 V2000 24.6240 6.6550 17.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4440 4.9480 13.8550 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6100 6.9450 12.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2870 2.9140 15.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2020 8.5640 18.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4580 10.3140 16.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1460 9.1420 16.9200 N 0 0 0 0 0 0 0 0 0 0 0 0 25.1430 6.7560 14.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5240 7.3130 15.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9510 4.8130 16.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8950 5.4730 14.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3110 5.4640 17.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7970 8.5410 15.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0280 7.4390 13.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6490 3.5780 16.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6940 9.1960 14.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3090 8.6490 13.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3440 4.8720 18.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6760 3.0000 17.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0310 3.6480 18.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 11 2 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 5 7 2 0 0 0 0 6 7 2 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 12 18 2 0 0 0 0 13 16 2 0 0 0 0 14 17 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 M END $$$$ 826235 OpenBabel12061010053D 14 14 0 0 0 0 0 0 0 0999 V2000 -21.5130 36.8160 8.3220 S 0 0 0 0 0 0 0 0 0 0 0 0 -25.9270 37.9910 7.6970 O 0 0 0 0 0 0 0 0 0 0 0 0 -27.2670 35.4070 6.5470 O 0 0 0 0 0 0 0 0 0 0 0 0 -29.4130 35.1470 7.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 -26.6250 36.3050 8.9890 N 0 0 0 0 0 0 0 0 0 0 0 0 -28.0410 36.4090 8.5740 C 0 0 1 0 0 0 0 0 0 0 0 0 -25.6530 37.1220 8.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -26.3930 35.3120 10.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -28.2560 35.5820 7.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -28.7630 35.7510 9.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -24.2120 36.9500 9.0220 C 0 0 1 0 0 0 0 0 0 0 0 0 -27.7810 34.6960 10.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.2280 37.2860 7.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.9890 37.8610 10.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 7 2 0 0 0 0 3 9 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 1 0 0 0 6 10 1 0 0 0 0 8 12 1 0 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 M END $$$$ 826241 OpenBabel12061010053D 14 13 0 0 0 0 0 0 0 0999 V2000 247.7380 58.7260 160.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 249.5650 61.0180 162.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 250.4960 59.1610 162.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 246.8780 61.3420 157.9060 O 0 0 0 0 0 0 0 0 0 0 0 0 247.6860 59.2310 157.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 245.9190 58.3070 164.9530 O 0 0 0 0 0 0 0 0 0 0 0 0 244.5440 58.0000 163.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 248.0240 59.7140 161.1360 C 0 0 1 0 0 0 0 0 0 0 0 0 249.5590 60.0190 161.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 247.8370 60.7010 159.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 247.0570 58.8530 161.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 247.6300 60.3940 158.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 246.2440 59.5970 162.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 245.4530 58.6500 163.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 2 9 2 0 0 0 0 3 9 1 0 0 0 0 4 12 2 0 0 0 0 5 12 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 8 1 1 6 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 M END $$$$ 826339 OpenBabel12061010053D 15 14 0 0 0 0 0 0 0 0999 V2000 53.0830 31.1790 1.8420 O 0 0 0 0 0 0 0 0 0 0 0 0 51.5630 29.3540 1.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 56.6860 19.2110 -2.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 52.8160 29.8770 1.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 54.1100 29.0720 1.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 53.7510 27.6070 1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 53.6450 26.6860 2.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 53.6090 25.2500 2.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 54.7410 24.4000 2.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 55.3940 23.5300 1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 54.7750 22.1350 1.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 54.5210 21.6790 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 54.8950 20.2150 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 56.3790 19.9260 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 57.2000 20.0480 -1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 M END $$$$ 826362 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 -5.4180 17.3910 35.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7820 16.2040 33.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6710 21.0510 33.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1950 20.8290 35.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7500 18.4000 37.5920 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2820 19.5510 32.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2760 18.6600 32.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7820 18.6390 33.4370 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8820 19.8570 33.6730 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9780 17.3600 33.6880 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1630 19.7980 35.0330 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4690 18.4510 35.1980 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7930 18.3190 36.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4910 19.1220 31.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0720 14.9770 33.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8540 19.0830 30.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 2 15 1 0 0 0 0 5 13 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 8 7 1 6 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 3 1 1 0 0 0 9 11 1 0 0 0 0 10 2 1 1 0 0 0 11 4 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 14 16 1 0 0 0 0 M END $$$$ 826391 OpenBabel12061010053D 17 18 0 0 0 0 0 0 0 0999 V2000 115.1990 111.8860 36.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 110.3440 111.2200 37.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 109.9350 108.1340 35.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 112.6690 111.0910 35.7860 N 0 0 0 0 0 0 0 0 0 0 0 0 113.5230 112.0600 32.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 111.5560 111.1580 33.2570 N 0 0 0 0 0 0 0 0 0 0 0 0 115.3880 112.3520 33.8210 N 0 0 0 0 0 0 0 0 0 0 0 0 115.4850 112.9270 31.5930 N 0 0 0 0 0 0 0 0 0 0 0 0 113.3750 111.5120 34.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 112.8080 111.5770 33.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 111.4690 110.5550 35.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 114.7110 111.9260 34.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 114.8020 112.4220 32.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 110.7390 110.1200 36.8470 C 0 0 2 0 0 0 0 0 0 0 0 0 110.8650 110.5730 34.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 109.5150 109.2780 36.4910 C 0 0 2 0 0 0 0 0 0 0 0 0 108.7990 108.8240 37.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 4 9 1 0 0 0 0 4 11 2 0 0 0 0 5 10 1 0 0 0 0 5 13 2 0 0 0 0 6 10 1 0 0 0 0 6 15 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 11 15 1 0 0 0 0 14 11 1 6 0 0 0 14 2 1 0 0 0 0 14 16 1 0 0 0 0 16 3 1 1 0 0 0 16 17 1 0 0 0 0 M END $$$$ 826400 OpenBabel12061010053D 12 13 0 0 0 0 0 0 0 0999 V2000 126.2740 111.1030 31.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 127.6670 112.8510 30.9380 O 0 0 0 0 0 0 0 0 0 0 0 0 126.4190 112.4160 31.2830 N 0 0 0 0 0 0 0 0 0 0 0 0 124.1810 116.6620 30.1840 N 0 0 0 0 0 0 0 0 0 0 0 0 123.0040 117.2270 30.5240 N 0 0 0 0 0 0 0 0 0 0 0 0 124.4530 115.4350 30.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 123.2850 115.1680 31.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 125.3780 113.2990 31.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 125.4950 114.5130 30.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 123.1720 113.9410 32.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 124.2220 113.0090 32.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 122.4200 116.2880 31.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 2 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 12 2 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 10 11 2 0 0 0 0 M END $$$$ 826410 OpenBabel12061010053D 20 21 0 0 0 0 0 0 0 0999 V2000 5.4380 -3.2780 9.8350 P 0 0 0 0 0 0 0 0 0 0 0 0 3.5130 -5.0120 7.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -6.5320 7.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -4.5780 6.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5860 -2.9070 8.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 -8.8400 7.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8150 -10.0240 9.7270 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9010 -1.9470 10.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4670 -4.0070 10.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5130 -7.1590 8.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9470 -9.3780 8.6330 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 -6.1570 7.3610 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4600 -5.6560 8.0760 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2660 -4.3090 7.3890 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6980 -3.8090 7.2760 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0990 -8.4840 8.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6590 -6.8030 8.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1550 -3.0130 8.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1300 -9.0950 9.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4620 -7.7010 9.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 12 1 0 0 0 0 2 15 1 0 0 0 0 5 18 1 0 0 0 0 6 16 2 0 0 0 0 7 19 2 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 16 1 0 0 0 0 11 19 1 0 0 0 0 12 10 1 1 0 0 0 12 13 1 0 0 0 0 13 3 1 6 0 0 0 13 14 1 0 0 0 0 14 4 1 6 0 0 0 14 15 1 0 0 0 0 15 18 1 1 0 0 0 17 20 2 0 0 0 0 19 20 1 0 0 0 0 M END $$$$ 826413 OpenBabel12061010053D 9 8 0 0 0 0 0 0 0 0999 V2000 69.8090 119.3240 96.3430 O 0 0 0 0 0 0 0 0 0 0 0 0 71.5280 120.4590 97.3360 N 0 0 0 0 0 0 0 0 0 0 0 0 63.1310 122.7020 97.2100 N 0 0 0 0 0 0 0 0 0 0 0 0 70.2270 120.3200 96.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 69.1810 121.4060 97.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 67.9050 121.2440 96.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 67.0220 122.3560 97.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 65.5570 121.8910 96.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 64.5350 122.8870 97.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 M END $$$$ 826414 OpenBabel12061010053D 23 23 0 0 0 0 0 0 0 0999 V2000 71.8190 118.2440 102.2320 S 0 0 2 0 0 0 0 0 0 0 0 0 69.3990 119.2420 100.9890 S 0 0 0 0 0 0 0 0 0 0 0 0 78.6220 117.3870 102.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 81.8110 115.1780 99.9630 O 0 0 0 0 0 0 0 0 0 0 0 0 74.2180 114.8770 103.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 71.5000 116.9480 101.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 72.0610 117.6160 106.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 80.2660 116.3060 101.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 80.0110 114.0270 100.4250 N 0 0 0 0 0 0 0 0 0 0 0 0 74.2920 116.9360 103.8370 N 0 0 0 0 0 0 0 0 0 0 0 0 78.1580 115.0690 101.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 79.0150 116.3530 101.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 78.7390 113.9390 100.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 80.7250 115.1720 100.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 76.7720 114.9980 102.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 76.1770 116.0390 102.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 74.8500 115.9120 103.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 72.9380 116.8580 104.3700 C 0 0 2 0 0 0 0 0 0 0 0 0 77.9940 112.6460 100.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 72.1970 118.1130 103.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 73.0260 116.7610 105.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 70.3080 119.1760 102.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 68.4170 117.7660 101.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 1 0 0 0 1 20 1 0 0 0 0 1 22 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 12 2 0 0 0 0 4 14 2 0 0 0 0 5 17 2 0 0 0 0 7 21 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 18 10 1 1 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 M END $$$$ 826435 OpenBabel12061010053D 20 20 0 0 0 0 0 0 0 0999 V2000 132.1080 87.7220 112.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 133.7630 86.0850 112.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 135.5180 87.4080 113.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 134.9510 90.0950 114.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 132.2350 90.8390 114.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 129.5200 88.3850 112.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 133.9160 89.1500 114.0350 C 0 0 2 0 0 0 0 0 0 0 0 0 134.3800 88.0570 113.1050 C 0 0 2 0 0 0 0 0 0 0 0 0 132.6970 89.8090 113.4100 C 0 0 1 0 0 0 0 0 0 0 0 0 133.2640 87.0550 112.9190 C 0 0 1 0 0 0 0 0 0 0 0 0 131.5910 88.7500 113.2270 C 0 0 1 0 0 0 0 0 0 0 0 0 130.3710 89.3870 112.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 133.0830 84.8560 111.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 133.7510 84.3370 110.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 134.3040 82.9520 110.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 134.9680 82.6970 109.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 135.5240 81.3340 109.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 134.8800 80.8010 108.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 135.2740 79.4000 107.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 134.5850 78.9290 106.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 13 1 0 0 0 0 6 12 1 0 0 0 0 7 4 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 5 1 1 0 0 0 9 11 1 0 0 0 0 10 2 1 6 0 0 0 11 12 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 M END $$$$ 826444 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 16.6880 70.5040 49.9250 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5180 69.0300 52.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0650 69.2830 49.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6010 68.5270 47.8530 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0100 71.2420 54.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9750 71.4700 53.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4370 71.3050 51.6550 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6390 70.5000 52.2010 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9610 70.0220 51.5950 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7910 69.4560 50.1850 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7080 71.1810 51.1780 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9850 70.4070 49.3540 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8330 69.9540 47.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 71.7740 54.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6100 72.8190 55.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 826565 OpenBabel12061010053D 28 30 0 0 0 0 0 0 0 0999 V2000 63.2170 52.6870 33.7850 P 0 0 0 0 0 0 0 0 0 0 0 0 65.4640 53.0750 35.5540 P 0 0 0 0 0 0 0 0 0 0 0 0 63.6730 49.9370 29.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 63.0210 52.5900 32.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 64.8030 52.6100 34.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 62.1270 47.2910 31.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 60.7700 49.6480 31.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 68.0290 45.3940 27.9230 O 0 0 0 0 0 0 0 0 0 0 0 0 62.6310 51.4700 34.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 62.7290 54.0260 34.2210 O 0 0 0 0 0 0 0 0 0 0 0 0 64.7670 54.3610 35.9630 O 0 0 0 0 0 0 0 0 0 0 0 0 65.2310 51.9140 36.5090 O 0 0 0 0 0 0 0 0 0 0 0 0 66.9350 53.2980 35.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 64.6250 47.8400 29.7320 N 0 0 0 0 0 0 0 0 0 0 0 0 66.6990 47.0970 30.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 64.1700 46.8610 27.5580 N 0 0 0 0 0 0 0 0 0 0 0 0 66.0630 45.6340 26.7920 N 0 0 0 0 0 0 0 0 0 0 0 0 64.1410 45.7640 25.5310 N 0 0 0 0 0 0 0 0 0 0 0 0 63.3870 48.5700 29.9430 C 0 0 1 0 0 0 0 0 0 0 0 0 64.9580 47.0900 28.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 62.8910 48.4630 31.3780 C 0 0 1 0 0 0 0 0 0 0 0 0 66.2450 46.6520 28.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 62.8910 50.7380 30.6630 C 0 0 1 0 0 0 0 0 0 0 0 0 62.0970 49.7550 31.5130 C 0 0 1 0 0 0 0 0 0 0 0 0 65.7050 47.7920 30.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 66.8880 45.8630 27.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 63.7920 51.6880 31.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 64.7790 46.1080 26.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 9 2 0 0 0 0 1 10 1 0 0 0 0 2 5 1 0 0 0 0 2 11 2 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 19 1 0 0 0 0 3 23 1 0 0 0 0 4 27 1 0 0 0 0 8 26 2 0 0 0 0 14 20 1 0 0 0 0 14 25 1 0 0 0 0 15 22 1 0 0 0 0 15 25 2 0 0 0 0 16 20 1 0 0 0 0 16 28 2 0 0 0 0 17 26 1 0 0 0 0 17 28 1 0 0 0 0 18 28 1 0 0 0 0 19 14 1 1 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 21 6 1 6 0 0 0 21 24 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 1 0 0 0 24 7 1 6 0 0 0 M END $$$$ 826659 OpenBabel12061010053D 23 24 0 0 0 0 0 0 0 0999 V2000 28.2420 104.8770 43.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1790 104.5390 41.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 29.6430 106.0750 41.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0000 104.0290 44.6170 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8640 105.0850 42.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 30.3560 104.9030 45.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4820 101.9700 41.2470 O 0 0 0 0 0 0 0 0 0 0 0 0 30.3360 107.7090 45.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0830 109.3150 43.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5040 106.1600 39.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1350 108.8050 40.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3770 103.9830 42.5360 C 0 0 2 0 0 0 0 0 0 0 0 0 25.9750 104.0110 43.1990 C 0 0 2 0 0 0 0 0 0 0 0 0 25.2910 105.2000 42.5300 C 0 0 1 0 0 0 0 0 0 0 0 0 25.8190 105.0520 41.0970 C 0 0 1 0 0 0 0 0 0 0 0 0 29.6000 105.1470 42.8900 C 0 0 1 0 0 0 0 0 0 0 0 0 30.3540 105.8130 44.0410 C 0 0 1 0 0 0 0 0 0 0 0 0 27.9820 102.5820 42.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6700 107.1480 44.3880 C 0 0 2 0 0 0 0 0 0 0 0 0 29.1040 107.4260 41.9600 C 0 0 1 0 0 0 0 0 0 0 0 0 29.7600 108.0690 43.2080 C 0 0 1 0 0 0 0 0 0 0 0 0 25.8130 106.3010 40.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3540 108.2300 40.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 3 20 1 0 0 0 0 7 18 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 1 1 1 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 4 1 1 0 0 0 13 14 1 0 0 0 0 14 5 1 6 0 0 0 14 15 1 0 0 0 0 15 22 1 1 0 0 0 16 1 1 1 0 0 0 16 17 1 0 0 0 0 17 6 1 1 0 0 0 17 19 1 0 0 0 0 19 8 1 6 0 0 0 19 21 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 6 0 0 0 21 9 1 1 0 0 0 M END $$$$ 826666 OpenBabel12061010053D 16 17 0 0 0 0 0 0 0 0999 V2000 27.5890 15.1960 11.6350 S 0 0 0 0 0 0 0 0 0 0 0 0 26.9860 10.6260 12.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 33.5800 17.3700 13.4530 O 0 0 0 0 0 0 0 0 0 0 0 0 32.6190 19.3270 13.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7390 12.1070 11.8310 N 0 0 0 0 0 0 0 0 0 0 0 0 27.0270 12.1190 10.4720 N 0 0 0 0 0 0 0 0 0 0 0 0 29.0940 13.1540 10.8780 C 0 0 1 0 0 0 0 0 0 0 0 0 27.8720 13.1660 9.9300 C 0 0 2 0 0 0 0 0 0 0 0 0 29.2990 14.5460 11.5050 C 0 0 2 0 0 0 0 0 0 0 0 0 27.5510 11.5290 11.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2490 14.5590 9.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1000 14.5970 12.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5200 16.0380 13.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3080 16.0370 14.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7150 17.4580 14.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6920 18.0830 13.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 10 2 0 0 0 0 3 16 2 0 0 0 0 4 16 1 0 0 0 0 5 10 1 0 0 0 0 6 10 1 0 0 0 0 7 5 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 6 1 1 0 0 0 8 11 1 0 0 0 0 9 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 M END $$$$ 826669 OpenBabel12061010053D 19 20 0 0 0 0 0 0 0 0999 V2000 46.3110 8.5220 126.1960 F 0 0 0 0 0 0 0 0 0 0 0 0 44.0760 8.6300 126.3880 F 0 0 0 0 0 0 0 0 0 0 0 0 45.0630 6.6470 125.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 44.9330 4.1780 124.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 44.2410 5.3070 116.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 44.5340 4.8700 119.5950 N 0 0 0 0 0 0 0 0 0 0 0 0 44.4190 4.5560 118.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 44.6910 6.2450 121.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 44.8750 5.2540 123.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 44.9370 6.5600 124.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 44.5750 6.0810 120.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 44.7520 5.1060 122.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 44.7520 7.5390 122.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 44.8760 7.7010 123.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 44.4910 7.2210 119.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 44.3400 5.5740 117.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 44.3760 7.0070 117.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 45.1660 7.7870 126.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 44.8900 2.7960 124.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 18 1 0 0 0 0 3 10 1 0 0 0 0 3 18 1 0 0 0 0 4 9 1 0 0 0 0 4 19 1 0 0 0 0 5 16 2 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 16 1 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 13 14 2 0 0 0 0 15 17 2 0 0 0 0 16 17 1 0 0 0 0 M END $$$$ 826710 OpenBabel12061010053D 14 14 0 0 0 0 0 0 0 0999 V2000 60.4700 -1.2540 45.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 58.5220 -1.6000 44.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 58.8470 -4.1290 44.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 61.9790 -2.6970 36.4090 N 0 0 0 0 0 0 0 0 0 0 0 0 60.3790 -2.1800 40.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 60.0480 -3.3220 43.9430 C 0 0 1 0 0 0 0 0 0 0 0 0 59.8560 -2.2390 41.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 60.5150 -3.3310 42.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 59.6750 -1.9780 44.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 59.8330 -3.1240 39.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 61.5060 -1.4730 39.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 61.4230 -2.5620 37.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 60.3300 -3.3120 38.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 62.0120 -1.6620 38.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 9 1 0 0 0 0 4 12 1 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 3 1 6 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 M END $$$$ 826720 OpenBabel12061010053D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.8860 23.4120 7.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2830 27.5580 5.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7230 28.6460 5.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9030 25.4090 6.9140 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8020 22.4160 8.1870 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5670 24.4850 7.3230 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5230 21.9290 8.3710 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0810 20.3200 9.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1900 24.0690 7.4850 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5320 23.6800 7.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0950 23.1940 7.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0190 26.4590 7.1620 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8230 21.5300 8.5410 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5320 27.7700 6.4360 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3730 25.8470 6.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5200 28.9930 6.5350 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8040 29.4240 7.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 10 2 0 0 0 0 6 15 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 9 4 1 6 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 12 4 1 6 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 8 1 1 0 0 0 14 2 1 6 0 0 0 14 16 1 0 0 0 0 16 3 1 1 0 0 0 16 17 1 0 0 0 0 M END $$$$ 826761 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 32.9490 74.8290 -9.5460 P 0 0 0 0 0 0 0 0 0 0 0 0 35.1670 75.5700 -7.7830 P 0 0 0 0 0 0 0 0 0 0 0 0 32.6520 73.0810 -12.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 33.8900 74.9990 -10.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 34.0410 74.6390 -8.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 33.4580 72.3880 -15.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 35.4700 74.1260 -14.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 32.1150 73.6260 -9.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 32.2700 76.1520 -9.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 35.1890 76.8200 -8.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 34.9330 75.7590 -6.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 36.4230 74.6900 -8.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 30.8990 74.3710 -13.5030 N 0 0 0 0 0 0 0 0 0 0 0 0 29.6970 75.9460 -12.5930 N 0 0 0 0 0 0 0 0 0 0 0 0 29.9430 74.3330 -15.7650 N 0 0 0 0 0 0 0 0 0 0 0 0 28.1770 75.9280 -16.0450 N 0 0 0 0 0 0 0 0 0 0 0 0 27.4430 77.3770 -14.3380 N 0 0 0 0 0 0 0 0 0 0 0 0 31.9610 73.2570 -13.6560 C 0 0 1 0 0 0 0 0 0 0 0 0 30.0450 74.7860 -14.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0250 73.5990 -14.6970 C 0 0 1 0 0 0 0 0 0 0 0 0 34.1260 73.2900 -12.5740 C 0 0 1 0 0 0 0 0 0 0 0 0 34.1730 74.1840 -13.7950 C 0 0 1 0 0 0 0 0 0 0 0 0 29.2910 75.7690 -13.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6420 75.0970 -12.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6720 73.8730 -11.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2840 76.3780 -14.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9850 74.9560 -16.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 18 13 1 1 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 6 1 1 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 1 0 0 0 22 7 1 6 0 0 0 23 26 2 0 0 0 0 M END $$$$ 826767 OpenBabel12061010053D 11 10 0 0 0 0 0 0 0 0999 V2000 21.9580 -6.0520 13.8520 S 0 0 0 0 0 0 0 0 0 0 0 0 24.4440 -2.4000 14.4230 S 0 0 0 0 0 0 0 0 0 0 0 0 22.9780 -6.8760 13.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8400 -6.5260 15.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6250 -6.1730 13.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8610 -1.9060 11.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4920 -4.3090 13.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8580 -4.1250 14.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6770 -2.5120 13.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0340 -2.2760 11.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8580 -2.4900 10.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 M END $$$$ 826773 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 -0.3100 18.6490 -3.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 22.9930 -4.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 24.0860 -0.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 26.1070 0.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 25.2600 -3.3280 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 27.2560 -2.7690 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 21.8640 -0.8200 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1210 19.1030 -1.4500 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 22.4820 -2.7500 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 20.7810 -4.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 21.4970 -1.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 20.8920 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 20.0770 -2.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8070 19.5000 -0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 19.7360 -3.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7260 21.2260 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 23.3400 -0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 18.4810 0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 22.1530 -3.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2930 20.1930 1.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1080 18.8010 1.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 24.2010 -1.2690 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0030 25.6720 -1.2460 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6280 25.7640 -1.9650 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0850 20.5690 3.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7190 17.7040 2.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 27.2260 -1.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 19 2 0 0 0 0 6 27 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 7 17 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 10 15 1 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 13 15 1 0 0 0 0 14 18 2 0 0 0 0 16 20 1 0 0 0 0 18 21 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 26 1 0 0 0 0 22 17 1 1 0 0 0 22 3 1 0 0 0 0 22 23 1 0 0 0 0 23 4 1 1 0 0 0 23 24 1 0 0 0 0 24 5 1 6 0 0 0 24 27 1 0 0 0 0 M CHG 1 7 1 M END $$$$ 826823 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 16.3750 1.4190 24.2420 I 0 0 0 0 0 0 0 0 0 0 0 0 18.1940 4.3340 19.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7440 3.1970 21.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5630 1.1890 18.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2350 3.3980 18.7140 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7110 3.0980 21.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4830 3.7430 20.5520 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1590 0.6510 19.9590 N 0 0 0 0 0 0 0 0 0 0 0 0 17.8400 3.7760 20.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9660 2.4460 22.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9350 3.1440 21.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2570 2.4610 22.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1520 2.9800 20.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4550 2.0720 19.5690 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8780 2.1940 18.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 9 2 0 0 0 0 3 11 2 0 0 0 0 4 15 2 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 14 13 1 1 0 0 0 14 8 1 0 0 0 0 14 15 1 0 0 0 0 M END $$$$ 826824 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 16.3090 41.2560 12.3800 Br 0 0 0 0 0 0 0 0 0 0 0 0 15.3000 46.2820 15.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6630 44.1950 11.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8250 44.4850 19.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9580 45.6300 19.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7250 43.9930 15.3850 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4890 45.2150 13.3620 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2460 43.6520 17.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4890 45.2560 14.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9490 42.8420 13.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6990 44.1260 12.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9630 42.8790 14.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8190 43.8800 16.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0620 44.5400 17.4270 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9760 44.9090 18.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 9 2 0 0 0 0 3 11 2 0 0 0 0 4 15 2 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 14 13 1 1 0 0 0 14 8 1 0 0 0 0 14 15 1 0 0 0 0 M END $$$$ 826825 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 16.3150 3.9710 12.5740 F 0 0 0 0 0 0 0 0 0 0 0 0 16.4860 -0.5540 15.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5550 1.4420 11.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1300 1.5030 19.6770 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9060 0.2240 19.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3460 1.7690 15.4420 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5100 0.4650 13.4720 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7790 2.3620 17.1840 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4510 0.4720 14.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3710 2.8640 13.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4790 1.5440 12.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2880 2.8880 14.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2070 1.8990 16.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8850 1.3810 17.4480 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9390 1.0110 18.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 9 2 0 0 0 0 3 11 2 0 0 0 0 4 15 2 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 14 13 1 1 0 0 0 14 8 1 0 0 0 0 14 15 1 0 0 0 0 M END $$$$ 826826 OpenBabel12061010053D 14 14 0 0 0 0 0 0 0 0999 V2000 16.4680 -0.6340 15.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3810 1.3700 11.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1470 1.4500 19.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9370 0.2090 19.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2660 1.7120 15.4300 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4200 0.3860 13.4680 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7290 2.3010 17.2460 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3910 0.4090 14.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1530 1.8660 16.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1530 2.8610 14.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8540 1.3300 17.4890 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3400 1.5060 12.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2110 2.7990 13.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9470 0.9720 18.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 12 2 0 0 0 0 3 14 2 0 0 0 0 4 14 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 10 13 2 0 0 0 0 11 9 1 1 0 0 0 11 7 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 M END $$$$ 826890 OpenBabel12061010053D 13 14 0 0 0 0 0 0 0 0999 V2000 6.2690 -5.4350 18.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2870 -8.1540 16.7090 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6720 -5.8610 16.6490 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5910 -9.3190 16.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3690 -7.3990 17.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8880 -9.8100 17.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6890 -7.8550 19.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9480 -9.0670 18.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1180 -6.2020 17.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 -10.0240 15.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 -11.0260 17.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8210 -11.2340 15.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -11.7300 16.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 12 13 1 0 0 0 0 M END $$$$ 826891 OpenBabel12061010053D 9 8 0 0 0 0 0 0 0 0999 V2000 6.5800 -3.7330 14.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1490 -5.0980 17.7950 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6720 -5.8610 16.6490 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8400 -2.8230 16.3400 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1610 -6.8220 16.3500 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4340 -4.6270 16.5030 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5890 -3.6870 15.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7860 -4.8900 15.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7620 -5.6160 16.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 9 2 0 0 0 0 4 7 1 0 0 0 0 5 9 1 0 0 0 0 6 3 1 6 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 M END $$$$ 826907 OpenBabel12061010053D 14 14 0 0 0 0 0 0 0 0999 V2000 12.9630 6.6130 10.7880 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.8730 6.2170 8.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0410 6.1470 10.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6010 9.0100 10.0310 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3470 6.9860 9.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2280 8.1250 8.8950 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4820 7.5540 8.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3670 8.5950 7.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1940 7.6900 10.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8570 9.4840 6.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7150 8.6800 7.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6830 10.4420 6.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5510 9.6330 7.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0310 10.5170 6.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 5 9 1 0 0 0 0 6 5 1 1 0 0 0 6 4 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 13 14 1 0 0 0 0 M END $$$$ 826933 OpenBabel12061010053D 23 24 0 0 0 0 0 0 0 0999 V2000 -28.8220 27.4030 15.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 -29.0240 26.4760 17.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 -30.5060 25.9440 14.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 -28.2090 29.6520 15.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 -29.2390 29.4660 18.9890 O 0 0 0 0 0 0 0 0 0 0 0 0 -27.1970 26.5230 12.9770 O 0 0 0 0 0 0 0 0 0 0 0 0 -26.5100 26.0650 17.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 -28.9680 27.1270 10.7930 O 0 0 0 0 0 0 0 0 0 0 0 0 -31.4330 28.2470 11.7080 O 0 0 0 0 0 0 0 0 0 0 0 0 -31.4130 25.7390 17.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 -33.1030 25.5250 13.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 -28.2220 27.2980 16.2990 C 0 0 2 0 0 0 0 0 0 0 0 0 -28.2020 28.6800 16.9310 C 0 0 2 0 0 0 0 0 0 0 0 0 -29.4270 28.6940 17.8220 C 0 0 1 0 0 0 0 0 0 0 0 0 -29.6130 27.2280 18.1830 C 0 0 1 0 0 0 0 0 0 0 0 0 -29.1070 26.1700 14.3990 C 0 0 1 0 0 0 0 0 0 0 0 0 -28.5720 26.2160 12.9720 C 0 0 1 0 0 0 0 0 0 0 0 0 -26.7940 26.7740 16.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -29.3050 27.2670 12.1540 C 0 0 2 0 0 0 0 0 0 0 0 0 -31.2220 26.9950 13.7700 C 0 0 1 0 0 0 0 0 0 0 0 0 -30.8150 27.1240 12.3030 C 0 0 1 0 0 0 0 0 0 0 0 0 -31.0730 26.8290 18.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -32.7200 26.7600 13.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 3 20 1 0 0 0 0 7 18 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 1 1 6 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 4 1 6 0 0 0 13 14 1 0 0 0 0 14 5 1 1 0 0 0 14 15 1 0 0 0 0 15 22 1 6 0 0 0 16 1 1 6 0 0 0 16 17 1 0 0 0 0 17 6 1 1 0 0 0 17 19 1 0 0 0 0 19 8 1 6 0 0 0 19 21 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 6 0 0 0 21 9 1 1 0 0 0 M END $$$$ 826951 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 57.4000 -6.7710 15.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 53.9510 -9.0130 15.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 55.0060 -7.3940 17.9830 O 0 0 0 0 0 0 0 0 0 0 0 0 54.7330 -8.3590 13.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 55.8660 -5.8920 13.6870 O 0 0 0 0 0 0 0 0 0 0 0 0 58.5700 -7.4340 17.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 54.7960 -7.9070 15.6350 C 0 0 1 0 0 0 0 0 0 0 0 0 55.7480 -7.6760 16.8050 C 0 0 1 0 0 0 0 0 0 0 0 0 55.6100 -8.1870 14.3730 C 0 0 2 0 0 0 0 0 0 0 0 0 56.6830 -6.5080 16.4820 C 0 0 1 0 0 0 0 0 0 0 0 0 56.5760 -7.0220 14.1040 C 0 0 2 0 0 0 0 0 0 0 0 0 57.7230 -6.2970 17.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 826985 OpenBabel12061010053D 14 14 0 0 0 0 0 0 0 0999 V2000 -7.5920 28.9970 12.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6510 26.3110 13.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5190 28.8050 15.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7930 29.6360 16.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4130 24.0790 11.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3240 26.1220 11.3480 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9790 27.4200 13.3310 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.4390 28.3180 14.4370 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.8210 26.9470 12.4390 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.6590 29.4900 13.8210 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.0650 28.1730 11.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0150 30.3640 14.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6470 25.0480 10.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1560 25.0490 9.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 2 0 0 0 0 6 13 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 6 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 13 14 1 0 0 0 0 M END $$$$ 826998 OpenBabel12061010053D 26 28 0 0 0 0 0 0 0 0999 V2000 3.1150 -13.2510 -1.7740 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 -14.0500 0.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 -16.7540 1.8730 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5450 -16.3710 0.7420 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9870 -16.7180 -5.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7900 -15.0720 -6.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -15.4560 -1.3910 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -15.0430 -3.5480 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 -17.6500 -1.1150 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 -18.3680 -3.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 -17.1660 -5.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8130 -16.6730 -2.8020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -15.3330 -0.0280 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1970 -16.5340 -1.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 -16.4370 0.4720 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5130 -16.2560 -3.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 -15.8220 0.0260 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0760 -14.3830 0.5510 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2680 -14.5640 -2.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 -17.2600 -3.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -13.3170 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3420 -18.4780 -1.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7440 -14.0380 -1.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4400 -14.2510 -3.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3240 -15.6990 -3.7890 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0850 -15.8360 -5.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 23 1 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 5 26 2 0 0 0 0 6 26 1 0 0 0 0 7 14 1 0 0 0 0 7 19 1 0 0 0 0 8 16 1 0 0 0 0 8 19 2 0 0 0 0 9 14 2 0 0 0 0 9 22 1 0 0 0 0 10 20 1 0 0 0 0 10 22 2 0 0 0 0 11 20 1 0 0 0 0 13 7 1 6 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 3 1 1 0 0 0 15 17 1 0 0 0 0 16 20 2 0 0 0 0 17 4 1 1 0 0 0 17 18 1 0 0 0 0 18 21 1 6 0 0 0 23 24 1 0 0 0 0 25 24 1 1 0 0 0 25 12 1 0 0 0 0 25 26 1 0 0 0 0 M END $$$$ 827006 OpenBabel12061010053D 13 13 0 0 0 0 0 0 0 0999 V2000 46.6890 24.7840 38.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 45.6460 27.7980 40.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 47.7770 26.2460 45.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 46.0960 27.6390 44.8820 O 0 0 0 0 0 0 0 0 0 0 0 0 46.2860 26.1460 38.6270 N 0 0 0 0 0 0 0 0 0 0 0 0 48.4190 25.5000 43.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 46.2120 25.6560 40.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 46.0320 26.5630 39.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 46.6300 24.5450 40.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 46.0440 25.9310 42.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 47.3100 26.4970 43.1060 C 0 0 1 0 0 0 0 0 0 0 0 0 47.0400 26.8200 44.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 47.0680 23.1770 40.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 2 8 2 0 0 0 0 3 12 2 0 0 0 0 4 12 1 0 0 0 0 5 8 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 9 13 1 0 0 0 0 11 10 1 1 0 0 0 11 6 1 0 0 0 0 11 12 1 0 0 0 0 M END $$$$ 827040 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 21.2360 26.5480 29.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3920 25.4200 28.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2540 23.8750 27.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1320 24.1900 27.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3010 25.3290 29.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1140 25.5370 28.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3920 24.9240 28.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 24.9950 28.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6350 25.4860 29.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2980 24.9290 28.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 7 2 0 0 0 0 3 7 1 0 0 0 0 4 10 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 M END $$$$ 827048 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 -6.8100 -6.1290 10.6750 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.7950 2.6480 12.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1140 -5.2550 9.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0710 -1.1900 10.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9200 1.4420 11.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9460 -0.1270 9.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1840 -0.8750 11.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2630 -2.5300 9.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8350 1.1820 10.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0780 0.4120 12.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5560 -3.5880 10.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9800 -4.9380 10.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 5 1 0 0 0 0 3 12 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 8 11 2 0 0 0 0 11 12 1 0 0 0 0 M END $$$$ 827066 OpenBabel12061010053D 25 28 0 0 0 0 0 0 0 0999 V2000 6.5590 74.9860 49.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 75.4000 44.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2570 74.2360 54.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0030 79.0410 48.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3210 77.4860 49.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5390 77.5850 50.0150 C 0 3 0 0 0 0 0 0 0 0 0 0 7.2630 77.1000 48.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2480 76.7800 51.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9540 79.0250 50.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8010 75.7850 48.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7720 75.4740 50.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2080 79.5260 49.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4860 77.8420 47.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4190 77.1740 52.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5460 75.1980 47.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4220 74.6230 51.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9800 79.9170 50.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 75.9420 46.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5940 75.0230 53.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 77.2660 46.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0800 76.3450 53.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2700 78.6130 49.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4790 80.8850 49.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2770 81.2620 50.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5120 81.7680 50.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 18 1 0 0 0 0 3 19 1 0 0 0 0 4 22 2 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 13 2 0 0 0 0 8 11 2 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 17 2 0 0 0 0 10 15 2 0 0 0 0 11 16 1 0 0 0 0 12 22 1 0 0 0 0 12 23 2 0 0 0 0 13 20 1 0 0 0 0 14 21 2 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 17 24 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 23 25 1 0 0 0 0 24 25 2 0 0 0 0 M CHG 1 6 1 M END $$$$ 827084 OpenBabel12061010053D 25 27 0 0 0 0 0 0 0 0999 V2000 -34.2220 83.5980 41.0830 P 0 0 0 0 0 0 0 0 0 0 0 0 -30.6840 83.6020 41.8520 O 0 0 0 0 0 0 0 0 0 0 0 0 -27.7380 82.7400 40.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 -28.9190 83.6850 38.7370 O 0 0 0 0 0 0 0 0 0 0 0 0 -33.0040 83.4870 40.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 -30.4230 78.0890 45.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 -35.3760 84.5210 40.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 -34.6530 82.0860 41.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 -33.4020 83.5040 42.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 -30.0520 81.4780 43.0020 N 0 3 0 0 0 0 0 0 0 0 0 0 -31.5070 80.1500 44.0830 N 0 0 0 0 0 0 0 0 0 0 0 0 -27.9160 80.5500 43.8940 N 0 0 0 0 0 0 0 0 0 0 0 0 -28.3720 78.7800 45.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 -26.1980 79.3760 44.9930 N 0 0 0 0 0 0 0 0 0 0 0 0 -29.2910 80.6170 43.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -29.6130 82.6550 42.0280 C 0 0 1 0 0 0 0 0 0 0 0 0 -30.2140 79.8250 44.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -29.0630 82.3970 40.5840 C 0 0 1 0 0 0 0 0 0 0 0 0 -31.3710 81.1210 43.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -29.7910 83.1770 39.6520 C 0 0 1 0 0 0 0 0 0 0 0 0 -30.7630 83.8830 40.4700 C 0 0 1 0 0 0 0 0 0 0 0 0 -29.7520 78.8460 45.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -27.4790 79.5840 44.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -31.8750 83.8620 39.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -32.7800 79.5840 44.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 16 1 0 0 0 0 2 21 1 0 0 0 0 5 24 1 0 0 0 0 6 22 2 0 0 0 0 10 15 1 0 0 0 0 10 19 2 0 0 0 0 11 17 1 0 0 0 0 11 19 1 0 0 0 0 11 25 1 0 0 0 0 12 15 1 0 0 0 0 12 23 2 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 23 1 0 0 0 0 15 17 2 0 0 0 0 16 10 1 6 0 0 0 16 18 1 0 0 0 0 17 22 1 0 0 0 0 18 3 1 1 0 0 0 18 20 1 0 0 0 0 20 4 1 1 0 0 0 20 21 1 0 0 0 0 21 24 1 1 0 0 0 M CHG 1 10 1 M END $$$$ 827124 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 34.0760 32.5210 47.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 33.8170 35.1530 45.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 32.9110 33.1440 45.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 32.9190 34.5470 50.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 31.9370 33.6890 48.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3870 33.7660 47.4550 C 0 0 2 0 0 0 0 0 0 0 0 0 33.3810 34.0580 45.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1620 33.4690 49.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1860 35.0200 47.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1500 32.5190 47.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 2 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 5 1 6 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 M END $$$$ 827130 OpenBabel12061010053D 6 5 0 0 0 0 0 0 0 0999 V2000 29.4510 11.2840 76.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5770 11.1040 75.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5680 15.1540 76.8660 N 0 0 0 0 0 0 0 0 0 0 0 0 28.4310 11.8290 76.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2360 13.3420 76.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8510 13.7180 77.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 M END $$$$ 827132 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 30.9930 52.9510 -37.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.0400 52.7220 -36.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 33.7150 55.3680 -37.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 29.6410 55.2490 -38.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 32.8450 48.9510 -37.2510 O 0 0 0 0 0 0 0 0 0 0 0 0 33.3240 50.6930 -35.9020 N 0 0 0 0 0 0 0 0 0 0 0 0 30.7840 50.2780 -36.6950 N 0 0 0 0 0 0 0 0 0 0 0 0 32.8890 51.7200 -36.8750 C 0 0 2 0 0 0 0 0 0 0 0 0 33.6250 52.9940 -36.5710 C 0 0 2 0 0 0 0 0 0 0 0 0 33.1710 54.1110 -37.5420 C 0 0 1 0 0 0 0 0 0 0 0 0 31.3640 51.9370 -36.7980 C 0 0 1 0 0 0 0 0 0 0 0 0 31.6340 54.2470 -37.5080 C 0 0 1 0 0 0 0 0 0 0 0 0 31.0720 55.1890 -38.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2560 49.4020 -36.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7470 48.5180 -35.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 827137 OpenBabel12061010053D 6 5 0 0 0 0 0 0 0 0999 V2000 43.8610 9.7360 34.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 44.0140 11.7720 34.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 44.6030 10.3850 31.2210 N 0 0 0 0 0 0 0 0 0 0 0 0 43.5690 10.6260 33.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 42.6910 10.3210 32.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 43.4580 9.5920 31.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 M END $$$$ 827173 OpenBabel12061010053D 19 21 0 0 0 0 0 0 0 0999 V2000 20.1860 5.2850 21.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4880 7.4130 23.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4050 5.1440 24.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5310 2.4210 23.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5730 7.5940 20.6900 N 0 0 0 0 0 0 0 0 0 0 0 0 21.6310 9.2220 19.5520 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8810 7.6090 22.7420 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5720 9.3290 22.7110 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9290 10.7510 20.9360 N 0 0 0 0 0 0 0 0 0 0 0 0 19.6140 6.5740 21.0860 C 0 0 2 0 0 0 0 0 0 0 0 0 21.5820 8.0500 21.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7530 6.7340 22.3410 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2070 9.0670 20.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5090 5.2840 22.7390 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7660 4.5850 22.2640 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6770 8.3240 19.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2500 9.7370 21.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5690 3.1300 21.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8850 8.3120 23.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 4 18 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 6 13 1 0 0 0 0 6 16 2 0 0 0 0 7 11 2 0 0 0 0 7 19 1 0 0 0 0 8 17 1 0 0 0 0 8 19 2 0 0 0 0 9 17 1 0 0 0 0 10 5 1 1 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 2 1 1 0 0 0 12 14 1 0 0 0 0 13 17 2 0 0 0 0 14 3 1 1 0 0 0 14 15 1 0 0 0 0 15 18 1 6 0 0 0 M END $$$$ 827190 OpenBabel12061010053D 24 24 0 0 0 0 0 0 0 0999 V2000 23.1580 0.9450 14.2040 P 0 0 0 0 0 0 0 0 0 0 0 0 21.7740 -3.5690 15.5860 P 0 0 0 0 0 0 0 0 0 0 0 0 23.6810 -2.0580 7.5930 P 0 0 0 0 0 0 0 0 0 0 0 0 22.4030 -0.2860 13.5190 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7500 -3.0220 14.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8090 -1.7070 8.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1590 0.2590 10.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3880 -5.0460 12.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1430 -3.4860 10.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6350 1.6890 13.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0250 1.5670 14.9390 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2180 0.3100 15.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3360 -4.8610 15.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7220 -2.5190 15.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5560 -3.6840 16.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9650 -1.4700 7.9680 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9520 -1.4340 6.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7080 -3.5420 7.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9660 -1.3270 12.6370 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3850 -2.6940 13.0500 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1630 -2.1090 10.2620 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6040 -0.9950 11.1750 C 0 0 2 0 0 0 0 0 0 0 0 0 22.9430 -3.8020 12.1300 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5700 -3.4900 10.6800 C 0 0 1 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 10 2 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 5 1 0 0 0 0 2 13 2 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 6 1 0 0 0 0 3 16 2 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 19 4 1 6 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 5 1 1 0 0 0 20 23 1 0 0 0 0 21 6 1 6 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 7 1 1 0 0 0 23 8 1 6 0 0 0 23 24 1 0 0 0 0 24 9 1 1 0 0 0 M END $$$$ 827209 OpenBabel12061010053D 13 12 0 0 0 0 0 0 0 0999 V2000 0.5000 50.3050 33.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0820 49.4390 31.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 48.9020 35.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1050 50.5630 34.6170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 47.1800 33.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 49.5110 31.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 50.6010 33.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 49.9810 31.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 49.9260 34.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 50.3280 32.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5080 47.5560 34.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 49.7760 33.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 46.7360 34.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 M END $$$$ 827221 OpenBabel12061010053D 13 12 0 0 0 0 0 0 0 0999 V2000 27.2870 19.0310 11.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 29.6870 17.8460 11.8810 O 0 0 0 0 0 0 0 0 0 0 0 0 30.0270 19.3430 13.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7280 19.6410 13.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7920 18.9860 9.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1480 21.2950 14.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 29.7460 20.8680 8.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3430 19.8510 11.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4340 18.9430 12.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7680 20.7290 13.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8790 20.7770 10.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3610 20.4780 13.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1140 20.1000 9.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 9 2 0 0 0 0 3 9 1 0 0 0 0 4 12 2 0 0 0 0 5 13 2 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 M END $$$$ 827276 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 7.2980 55.2500 20.7400 S 0 3 2 0 0 0 0 0 0 0 0 0 7.7940 52.9580 23.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4220 51.1960 24.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7190 53.9430 24.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8470 50.4360 18.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7720 52.0670 17.7970 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0380 53.0580 24.9650 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7130 54.4460 25.7530 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3240 51.1130 26.6430 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1450 51.5550 28.2390 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4530 53.5190 28.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4090 51.7910 21.0760 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9510 52.2610 24.3710 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6590 52.4150 26.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4620 51.9050 24.7010 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6750 53.2920 26.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0050 53.4050 24.4480 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5280 53.6540 23.0380 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7670 54.2760 24.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4540 52.8190 27.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6580 55.0300 22.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1260 50.7930 27.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1470 55.0780 20.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2520 57.0430 20.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2910 53.8070 19.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6350 52.4310 20.0130 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4070 51.5900 18.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 1 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 5 27 2 0 0 0 0 6 27 1 0 0 0 0 7 14 1 0 0 0 0 7 19 1 0 0 0 0 8 16 1 0 0 0 0 8 19 2 0 0 0 0 9 14 2 0 0 0 0 9 22 1 0 0 0 0 10 20 1 0 0 0 0 10 22 2 0 0 0 0 11 20 1 0 0 0 0 13 7 1 1 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 3 1 6 0 0 0 15 17 1 0 0 0 0 16 20 2 0 0 0 0 17 4 1 6 0 0 0 17 18 1 0 0 0 0 18 21 1 1 0 0 0 23 25 1 0 0 0 0 26 25 1 6 0 0 0 26 12 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 1 1 M END $$$$ 827290 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 79.1720 48.0530 61.3530 P 0 0 0 0 0 0 0 0 0 0 0 0 81.2450 47.2900 62.9920 P 0 0 0 0 0 0 0 0 0 0 0 0 78.7040 49.6270 58.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 78.6000 49.2910 60.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 80.5090 48.3390 62.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 75.5590 51.4010 57.5680 O 0 0 0 0 0 0 0 0 0 0 0 0 77.9240 52.7220 57.6950 O 0 0 0 0 0 0 0 0 0 0 0 0 79.4630 47.0150 60.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 78.2520 47.6250 62.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 82.5310 47.7760 63.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 81.4880 46.0550 61.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 80.3370 46.8890 64.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 76.7400 48.3600 57.3230 N 0 0 0 0 0 0 0 0 0 0 0 0 76.3990 46.2170 57.6310 N 0 0 0 0 0 0 0 0 0 0 0 0 74.8220 48.6790 55.7760 N 0 0 0 0 0 0 0 0 0 0 0 0 73.5750 46.7490 55.3190 N 0 0 0 0 0 0 0 0 0 0 0 0 74.1560 44.7010 56.3030 N 0 0 0 0 0 0 0 0 0 0 0 0 77.4160 49.7300 57.4250 C 0 0 1 0 0 0 0 0 0 0 0 0 75.6770 48.0120 56.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 76.6380 50.7370 58.2430 C 0 0 1 0 0 0 0 0 0 0 0 0 78.9490 50.8460 58.8770 C 0 0 1 0 0 0 0 0 0 0 0 0 77.7190 51.7030 58.6750 C 0 0 1 0 0 0 0 0 0 0 0 0 75.4660 46.6290 56.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 77.1690 47.2590 57.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 79.2080 50.5350 60.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 74.3930 46.0090 56.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 73.7860 48.0760 55.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 18 13 1 1 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 6 1 6 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 1 0 0 0 22 7 1 6 0 0 0 23 26 2 0 0 0 0 M END $$$$ 827298 OpenBabel12061010053D 8 8 0 0 0 0 0 0 0 0999 V2000 30.1600 -12.1540 14.3850 N 0 0 0 0 0 0 0 0 0 0 0 0 28.6580 -12.9770 16.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7260 -12.3920 17.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4240 -14.3380 16.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8200 -12.0920 14.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5590 -13.1000 18.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2490 -15.0620 17.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3300 -14.4460 18.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 6 8 2 0 0 0 0 7 8 1 0 0 0 0 M END $$$$ 827341 OpenBabel12061010053D 5 4 0 0 0 0 0 0 0 0999 V2000 37.4930 79.5100 64.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 38.6550 79.5740 62.7980 O 0 0 0 0 0 0 0 0 0 0 0 0 36.4660 80.8670 61.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 37.5670 79.8330 63.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 36.4050 80.5320 62.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 4 5 1 0 0 0 0 M END $$$$ 827349 OpenBabel12061010053D 9 8 0 0 0 0 0 0 0 0999 V2000 9.1330 17.2470 81.6050 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8330 16.7460 79.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0950 18.2020 78.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8420 20.6880 81.8250 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6470 19.2730 83.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9270 18.0380 80.4540 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9980 17.6630 79.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9540 19.5200 80.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8520 19.8390 81.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 2 0 0 0 0 3 7 1 0 0 0 0 4 9 2 0 0 0 0 5 9 1 0 0 0 0 6 1 1 1 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 M END $$$$ 827351 OpenBabel12061010053D 5 4 0 0 0 0 0 0 0 0999 V2000 4.2030 84.3730 69.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 84.3610 70.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 82.3190 72.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2430 83.8880 70.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5460 82.7340 71.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 M END $$$$ 827353 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 -27.8840 90.3720 159.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 -29.2400 94.3960 159.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 -26.5520 93.5840 160.8860 O 0 0 0 0 0 0 0 0 0 0 0 0 -25.5730 89.7440 161.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 -32.0290 93.7200 158.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 -30.2840 92.5500 158.0870 N 0 0 0 0 0 0 0 0 0 0 0 0 -29.6700 89.7610 158.1750 N 0 0 0 0 0 0 0 0 0 0 0 0 -29.5590 92.0870 159.2380 C 0 0 2 0 0 0 0 0 0 0 0 0 -28.5630 93.1950 159.5930 C 0 0 2 0 0 0 0 0 0 0 0 0 -27.5140 92.6170 160.5610 C 0 0 1 0 0 0 0 0 0 0 0 0 -28.8850 90.7570 158.8560 C 0 0 1 0 0 0 0 0 0 0 0 0 -26.8850 91.3980 159.8410 C 0 0 1 0 0 0 0 0 0 0 0 0 -25.4790 90.8940 160.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -31.5860 92.6930 158.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -32.4560 91.5580 157.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 827365 OpenBabel12061010053D 35 39 0 0 0 0 0 0 0 0999 V2000 48.5620 48.8680 1.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 48.8390 49.9390 -0.5970 N 0 0 0 0 0 0 0 0 0 0 0 0 50.7830 46.3160 -0.8880 N 0 0 0 0 0 0 0 0 0 0 0 0 50.7030 46.0340 -3.1250 N 0 0 0 0 0 0 0 0 0 0 0 0 50.7770 53.9700 -3.7560 N 0 0 0 0 0 0 0 0 0 0 0 0 55.2650 50.9510 3.4170 N 0 0 0 0 0 0 0 0 0 0 0 0 50.2930 51.9440 -0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 51.5480 52.5580 -0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 52.7700 51.8790 -0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 49.7420 52.2080 -2.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 49.6830 50.9510 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 54.0270 52.5200 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 48.5990 48.8260 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 51.4900 53.9240 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 49.4550 46.8320 -1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 48.5230 51.5140 -2.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 48.1470 50.2150 -1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 52.8080 50.5130 -1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 48.3120 47.4090 -0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 53.9920 53.8120 0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 52.7300 54.5040 0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 55.2730 51.8460 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 50.3280 53.1240 -3.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 49.4310 46.6510 -2.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 51.2410 46.1550 0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.4210 45.8860 -2.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 54.0530 49.8610 -1.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 55.2780 50.5160 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 52.0970 47.1950 1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 51.5340 48.1270 1.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 53.4550 47.2090 0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 53.7630 49.1190 2.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 52.3540 49.1100 2.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 54.3120 48.1580 1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 54.6120 50.1100 2.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 2 17 1 0 0 0 0 3 15 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 24 1 0 0 0 0 4 26 2 0 0 0 0 5 23 3 0 0 0 0 6 35 3 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 18 1 0 0 0 0 10 16 1 0 0 0 0 10 23 1 0 0 0 0 12 20 2 0 0 0 0 12 22 1 0 0 0 0 13 19 1 0 0 0 0 14 21 2 0 0 0 0 15 19 1 0 0 0 0 15 24 2 0 0 0 0 16 17 2 0 0 0 0 18 27 2 0 0 0 0 20 21 1 0 0 0 0 22 28 2 0 0 0 0 25 29 1 0 0 0 0 27 28 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 33 1 0 0 0 0 31 34 2 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 M END $$$$ 827367 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 13.4530 -33.0570 44.8350 S 0 0 0 0 0 0 0 0 0 0 0 0 12.2740 -33.2330 45.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5220 -31.7390 44.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7100 -33.3050 45.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4870 -35.0290 41.3510 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5830 -36.7750 39.1400 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2500 -34.2690 43.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0270 -33.9860 42.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6260 -34.3530 40.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7430 -36.2910 41.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6070 -35.3200 38.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4510 -36.9940 40.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 M END $$$$ 827407 OpenBabel12061010053D 23 24 0 0 0 0 0 0 0 0999 V2000 3.5950 18.4650 29.9580 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5760 21.2180 34.6180 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8870 20.2670 32.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 25.2180 29.5590 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0930 17.6900 33.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2580 16.3200 33.8390 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1690 19.8260 32.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6380 18.9230 31.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0530 20.1650 33.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 21.5540 31.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8550 18.7450 32.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9540 18.4020 31.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3940 19.6360 33.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 23.6980 31.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 22.4120 32.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 24.0590 30.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3150 22.0000 30.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 23.2190 29.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2510 18.0970 32.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 24.6800 31.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 17.3470 33.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 25.4960 33.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 23.9020 32.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 16 1 0 0 0 0 5 21 2 0 0 0 0 6 21 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 10 15 1 0 0 0 0 10 17 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 18 2 0 0 0 0 17 18 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 M END $$$$ 827436 OpenBabel12061010053D 18 20 0 0 0 0 0 0 0 0999 V2000 5.1600 13.0690 25.0380 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9510 11.0520 21.9360 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0100 15.6110 19.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5050 13.1920 21.5100 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5430 13.8350 18.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8020 14.7220 19.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 14.2740 17.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1710 15.3830 17.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 14.5550 21.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4980 12.7440 19.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7810 12.9160 20.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5190 13.7740 16.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6480 15.9420 16.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8710 12.2410 22.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9630 14.3760 15.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0520 15.4320 15.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 12.6680 23.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6450 12.1420 24.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 14 2 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 10 11 1 0 0 0 0 12 15 2 0 0 0 0 13 16 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 M END $$$$ 827471 OpenBabel12061010053D 13 13 0 0 0 0 0 0 0 0999 V2000 36.2490 96.0100 41.9900 O 0 0 0 0 0 0 0 0 0 0 0 0 37.7080 97.7890 41.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 38.3000 95.7650 41.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 37.5830 96.5470 44.4760 O 0 0 0 0 0 0 0 0 0 0 0 0 38.5760 93.9720 44.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 36.5890 92.5510 43.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 33.8390 95.3920 41.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 37.6310 96.4030 42.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 38.2480 95.9290 43.3810 C 0 0 2 0 0 0 0 0 0 0 0 0 38.1180 94.4040 43.4880 C 0 0 2 0 0 0 0 0 0 0 0 0 36.6590 93.9690 43.2840 C 0 0 1 0 0 0 0 0 0 0 0 0 36.0900 94.5660 41.9860 C 0 0 1 0 0 0 0 0 0 0 0 0 34.6040 94.2350 41.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 8 1 0 0 0 0 3 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 9 4 1 6 0 0 0 9 10 1 0 0 0 0 10 5 1 1 0 0 0 10 11 1 0 0 0 0 11 6 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 M END $$$$ 827477 OpenBabel12061010053D 11 10 0 0 0 0 0 0 0 0999 V2000 27.7940 33.1440 88.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5820 31.5200 91.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2110 32.4510 92.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2250 30.1870 89.2220 N 0 3 0 0 0 0 0 0 0 0 0 0 26.9750 32.2610 89.7770 C 0 0 1 0 0 0 0 0 0 0 0 0 27.8460 31.1040 90.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4060 33.0540 90.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3080 32.3040 91.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0310 29.7240 88.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1150 30.8680 88.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9240 29.0350 89.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 2 0 0 0 0 3 8 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 1 1 1 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 M CHG 1 4 1 M END $$$$ 827518 OpenBabel12061010053D 20 20 0 0 0 0 0 0 0 0999 V2000 87.1510 97.7930 107.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 84.9830 98.9010 106.8890 O 0 0 0 0 0 0 0 0 0 0 0 0 83.0800 97.7950 107.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 83.1470 93.0650 107.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 85.0440 91.9320 108.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 84.3720 97.7800 107.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 84.4560 93.0570 107.8300 N 0 0 0 0 0 0 0 0 0 0 0 0 87.3170 95.4340 107.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 86.5190 96.7000 107.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 84.9900 96.6920 107.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 85.0850 94.1510 107.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 86.6210 94.2130 107.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 84.3020 95.4520 107.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 88.8690 95.4690 107.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 89.4570 95.7080 106.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 89.4940 95.2170 108.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 88.8590 95.9320 104.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 89.7380 96.1740 103.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 88.9910 96.4030 102.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 89.8130 96.6320 101.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 6 2 0 0 0 0 3 6 2 0 0 0 0 4 7 2 0 0 0 0 5 7 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 M END $$$$ 827556 OpenBabel12061010053D 30 33 0 0 0 0 0 0 0 0999 V2000 13.9580 7.1840 26.4690 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5590 8.9540 23.4550 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6120 8.8260 23.5230 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7580 9.9350 22.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5990 9.2130 24.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3490 4.3240 23.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9620 7.5720 22.5750 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1180 5.2500 21.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5010 -0.0610 17.1180 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8100 0.3190 18.9780 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0650 8.5520 24.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4230 8.1370 24.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4940 7.6650 25.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1210 7.9210 25.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4940 6.4450 23.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9120 6.9920 21.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9270 5.2310 22.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7880 7.9860 25.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9750 7.0670 27.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8150 6.3560 20.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2600 7.3750 26.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3690 6.9090 27.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5940 4.1360 20.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6710 3.2170 19.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6680 2.8510 18.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6850 2.6980 20.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6620 1.4650 18.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6490 1.9850 18.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6710 1.8320 20.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6800 0.5540 18.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 7 1 0 0 0 0 2 11 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 6 17 2 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 20 1 0 0 0 0 8 23 1 0 0 0 0 9 30 2 0 0 0 0 10 30 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 15 17 1 0 0 0 0 16 20 1 0 0 0 0 18 21 2 0 0 0 0 19 22 2 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 28 1 0 0 0 0 26 29 2 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 M END $$$$ 827614 OpenBabel12061010053D 16 17 0 0 0 0 0 0 0 0999 V2000 51.6660 90.0500 36.2870 Cl 0 0 0 0 0 0 0 0 0 0 0 0 56.0600 89.7780 32.9190 Cl 0 0 0 0 0 0 0 0 0 0 0 0 49.3470 93.6610 33.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 51.3610 92.9420 35.3540 N 0 0 0 0 0 0 0 0 0 0 0 0 52.5150 92.2380 34.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 52.7290 90.8460 35.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 51.0110 94.3490 35.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 53.4440 92.8320 33.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 50.0000 94.6580 34.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 53.8250 90.0800 34.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 54.7280 90.6930 33.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 54.5330 92.0550 33.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 51.6620 95.4470 35.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 49.6440 96.0440 33.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.3050 96.8270 35.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 50.2960 97.1250 34.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 11 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 6 10 2 0 0 0 0 7 9 1 0 0 0 0 7 13 2 0 0 0 0 8 12 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 16 2 0 0 0 0 M END $$$$ 827620 OpenBabel12061010053D 33 36 0 0 0 0 0 0 0 0999 V2000 47.6380 52.6450 -3.7290 Cl 0 0 0 0 0 0 0 0 0 0 0 0 56.3190 51.4390 -0.2150 Cl 0 0 0 0 0 0 0 0 0 0 0 0 50.3770 48.9030 -1.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 49.1180 51.4090 -1.8960 N 0 0 0 0 0 0 0 0 0 0 0 0 49.9210 46.4700 -3.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 51.7220 45.4040 -3.9430 N 0 0 0 0 0 0 0 0 0 0 0 0 49.8260 55.6580 -4.0980 N 0 0 0 0 0 0 0 0 0 0 0 0 56.5540 48.5130 3.0960 N 0 0 0 0 0 0 0 0 0 0 0 0 51.1780 52.2130 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 50.1570 51.2340 -1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 50.8460 47.6040 -0.8410 C 0 0 1 0 0 0 0 0 0 0 0 0 50.9830 46.7490 -2.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 52.3520 52.1400 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 49.9870 53.5410 -2.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 51.0630 53.3740 -1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.1080 47.7610 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 49.0080 52.5200 -2.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 50.1040 49.9440 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 52.0480 46.0740 -2.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 53.6440 51.8480 -0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 52.2010 52.3690 1.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 53.3440 48.1980 -0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 52.0690 47.4920 1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 50.4440 45.6930 -4.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 54.7520 51.7970 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 49.9050 54.7340 -3.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 54.4330 48.1010 1.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 54.4860 48.3610 0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 53.2290 47.6610 2.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 53.3140 52.3140 2.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 54.6030 52.0260 1.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 48.5250 46.9280 -3.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 55.6090 48.2990 2.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 25 1 0 0 0 0 3 18 1 0 0 0 0 4 10 2 0 0 0 0 4 17 1 0 0 0 0 5 12 1 0 0 0 0 5 24 1 0 0 0 0 5 32 1 0 0 0 0 6 19 1 0 0 0 0 6 24 2 0 0 0 0 7 26 3 0 0 0 0 8 33 3 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 15 2 0 0 0 0 10 18 1 0 0 0 0 11 3 1 6 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 19 2 0 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 17 2 0 0 0 0 14 26 1 0 0 0 0 16 22 2 0 0 0 0 16 23 1 0 0 0 0 20 25 1 0 0 0 0 21 30 2 0 0 0 0 22 28 1 0 0 0 0 23 29 2 0 0 0 0 25 31 2 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 27 33 1 0 0 0 0 30 31 1 0 0 0 0 M END $$$$ 827622 OpenBabel12061010053D 23 24 0 0 0 0 0 0 0 0999 V2000 44.2660 50.7480 74.7710 O 0 0 0 0 0 0 0 0 0 0 0 0 46.4100 50.9030 75.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 43.7160 52.9150 74.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 45.2770 49.3190 72.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 42.2170 50.7550 76.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 46.0530 47.0360 74.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 40.2700 50.5960 74.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 46.4100 47.4350 76.9060 O 0 0 0 0 0 0 0 0 0 0 0 0 41.0990 51.3820 72.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 46.2300 50.6510 78.8710 O 0 0 0 0 0 0 0 0 0 0 0 0 42.2050 54.3720 71.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 45.6460 50.7470 74.4780 C 0 0 1 0 0 0 0 0 0 0 0 0 43.7170 51.9640 75.2800 C 0 0 1 0 0 0 0 0 0 0 0 0 46.0290 49.4020 73.7880 C 0 0 1 0 0 0 0 0 0 0 0 0 42.2260 51.6340 75.5980 C 0 0 1 0 0 0 0 0 0 0 0 0 45.7080 48.2290 74.7360 C 0 0 2 0 0 0 0 0 0 0 0 0 41.6040 50.9110 74.3430 C 0 0 2 0 0 0 0 0 0 0 0 0 46.6110 48.4310 75.9700 C 0 0 1 0 0 0 0 0 0 0 0 0 41.6400 51.9420 73.1940 C 0 0 1 0 0 0 0 0 0 0 0 0 46.2500 49.7840 76.6720 C 0 0 1 0 0 0 0 0 0 0 0 0 43.1500 52.3680 72.8790 C 0 0 1 0 0 0 0 0 0 0 0 0 47.0830 50.1040 77.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 43.2360 53.4100 71.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 0 2 20 1 0 0 0 0 3 13 1 0 0 0 0 3 21 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 1 1 1 0 0 0 12 14 1 0 0 0 0 13 1 1 6 0 0 0 13 15 1 0 0 0 0 14 4 1 1 0 0 0 14 16 1 0 0 0 0 15 5 1 6 0 0 0 15 17 1 0 0 0 0 16 6 1 6 0 0 0 16 18 1 0 0 0 0 17 7 1 1 0 0 0 17 19 1 0 0 0 0 18 8 1 1 0 0 0 18 20 1 0 0 0 0 19 9 1 6 0 0 0 19 21 1 0 0 0 0 20 22 1 6 0 0 0 21 23 1 1 0 0 0 M END $$$$ 827641 OpenBabel12061010053D 28 30 0 0 0 0 0 0 0 0999 V2000 -32.3190 -82.1110 -39.0340 S 0 0 0 0 0 0 0 0 0 0 0 0 -30.8290 -80.4290 -35.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 -27.6110 -80.5310 -34.8320 O 0 0 0 0 0 0 0 0 0 0 0 0 -32.0410 -81.3720 -37.6470 O 0 0 0 0 0 0 0 0 0 0 0 0 -28.1220 -80.8140 -37.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 -33.2990 -83.1960 -38.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 -30.9820 -82.4670 -39.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 -34.9190 -80.8690 -39.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 -30.6070 -82.3420 -33.8540 N 0 0 0 0 0 0 0 0 0 0 0 0 -31.7870 -84.2760 -33.7350 N 0 0 0 0 0 0 0 0 0 0 0 0 -30.2210 -81.9500 -31.4370 N 0 0 0 0 0 0 0 0 0 0 0 0 -31.2180 -83.6990 -30.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 -32.9080 -81.0030 -40.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 -32.3890 -85.5130 -30.9300 N 0 0 0 0 0 0 0 0 0 0 0 0 -35.9160 -79.5420 -41.2850 N 0 0 0 0 0 0 0 0 0 0 0 0 -29.9200 -81.1430 -34.3930 C 0 0 1 0 0 0 0 0 0 0 0 0 -30.7180 -82.6560 -32.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -28.6630 -81.4140 -35.2060 C 0 0 1 0 0 0 0 0 0 0 0 0 -31.4510 -83.8510 -32.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -30.2210 -80.1810 -36.5270 C 0 0 1 0 0 0 0 0 0 0 0 0 -29.1420 -81.2410 -36.6440 C 0 0 1 0 0 0 0 0 0 0 0 0 -31.2680 -83.3530 -34.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -31.7040 -84.3850 -31.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -31.2640 -80.1660 -37.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -30.5180 -82.5450 -30.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -34.1290 -80.3920 -39.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -34.4650 -79.6220 -41.1800 C 0 0 2 0 0 0 0 0 0 0 0 0 -33.8460 -78.2250 -41.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 13 1 0 0 0 0 2 16 1 0 0 0 0 2 20 1 0 0 0 0 4 24 1 0 0 0 0 8 26 2 0 0 0 0 9 17 1 0 0 0 0 9 22 1 0 0 0 0 10 19 1 0 0 0 0 10 22 2 0 0 0 0 11 17 2 0 0 0 0 11 25 1 0 0 0 0 12 23 1 0 0 0 0 12 25 2 0 0 0 0 13 26 1 0 0 0 0 14 23 1 0 0 0 0 16 9 1 6 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 3 1 6 0 0 0 18 21 1 0 0 0 0 19 23 2 0 0 0 0 20 21 1 0 0 0 0 20 24 1 6 0 0 0 21 5 1 1 0 0 0 27 26 1 1 0 0 0 27 15 1 0 0 0 0 27 28 1 0 0 0 0 M END $$$$ 827693 OpenBabel12061010053D 23 25 0 0 0 0 0 0 0 0999 V2000 44.3180 19.2610 137.6130 P 0 0 0 0 0 0 0 0 0 0 0 0 44.9160 22.2990 140.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 42.3650 23.6840 141.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 41.3950 21.9090 140.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 44.7820 20.2320 138.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 42.8700 19.3230 137.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 45.1980 19.3950 136.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 44.9110 17.8570 138.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 45.1790 24.3290 139.6620 N 0 0 0 0 0 0 0 0 0 0 0 0 46.4930 24.5970 137.9060 N 0 0 0 0 0 0 0 0 0 0 0 0 45.0020 26.6480 140.4160 N 0 0 0 0 0 0 0 0 0 0 0 0 46.2680 28.1110 139.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 47.4850 27.4660 137.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 44.4360 23.6110 140.7050 C 0 0 1 0 0 0 0 0 0 0 0 0 45.4300 25.6490 139.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 42.9070 23.6460 140.6360 C 0 0 1 0 0 0 0 0 0 0 0 0 42.7220 22.3250 140.0370 C 0 0 1 0 0 0 0 0 0 0 0 0 43.7770 21.4510 140.7160 C 0 0 1 0 0 0 0 0 0 0 0 0 46.2680 25.8410 138.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 45.8260 23.7430 138.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 46.6830 27.1490 138.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 44.1550 20.1730 140.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 45.4920 27.8110 140.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 14 1 0 0 0 0 2 18 1 0 0 0 0 5 22 1 0 0 0 0 9 15 1 0 0 0 0 9 20 1 0 0 0 0 10 19 1 0 0 0 0 10 20 2 0 0 0 0 11 15 2 0 0 0 0 11 23 1 0 0 0 0 12 21 1 0 0 0 0 12 23 2 0 0 0 0 13 21 1 0 0 0 0 14 9 1 6 0 0 0 14 16 1 0 0 0 0 15 19 1 0 0 0 0 16 3 1 1 0 0 0 16 17 1 0 0 0 0 17 4 1 1 0 0 0 17 18 1 0 0 0 0 18 22 1 6 0 0 0 19 21 2 0 0 0 0 M END $$$$ 827731 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 4.7680 47.8820 21.2390 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5590 44.7930 21.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8820 48.8060 19.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9040 44.5160 17.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5670 46.3840 19.5450 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5850 46.9320 20.5440 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7770 45.7220 20.0510 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3410 47.5230 19.3430 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4620 45.0080 18.9030 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4460 46.5330 18.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6570 45.3660 18.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7180 43.8690 18.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 4 12 1 0 0 0 0 5 10 1 0 0 0 0 6 1 1 6 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 2 1 1 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 6 0 0 0 10 11 2 0 0 0 0 M END $$$$ 827757 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 8.0620 66.7600 31.7390 P 0 0 0 0 0 0 0 0 0 0 0 0 8.0530 69.5420 30.7710 P 0 0 0 0 0 0 0 0 0 0 0 0 7.3750 65.9500 36.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7470 66.3730 33.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5720 68.3160 31.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5200 62.5140 35.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6970 63.9940 36.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4870 66.5810 31.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0830 65.9990 30.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9730 70.5460 30.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3760 69.0070 29.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4180 70.0720 31.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 64.8170 35.8200 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5460 65.4350 34.6860 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 64.5030 38.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 64.9620 38.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 65.6140 36.1960 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8170 64.6680 36.1360 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3170 64.8160 36.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5830 63.8820 35.0670 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6370 65.9450 35.4700 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0010 64.5010 35.1710 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2170 65.1960 36.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8460 65.1980 34.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5430 66.9170 34.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 65.2790 36.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2490 64.5990 38.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 18 13 1 6 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 6 1 1 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 6 0 0 0 22 7 1 1 0 0 0 23 26 2 0 0 0 0 M END $$$$ 827769 OpenBabel12061010053D 20 21 0 0 0 0 0 0 0 0999 V2000 13.0900 71.4950 26.7050 P 0 0 0 0 0 0 0 0 0 0 0 0 14.7950 75.9470 25.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9790 72.8010 26.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5620 79.5870 24.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2930 78.6530 20.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2910 70.9300 28.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0010 70.6520 25.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7370 71.6830 26.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4820 77.5520 24.1480 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4110 79.0790 22.3740 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0930 77.1500 25.4230 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8750 78.7870 23.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4600 74.9900 26.2430 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6960 76.6600 23.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0970 76.8450 26.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2860 77.0130 22.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6280 78.2580 21.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3350 75.6400 26.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1300 73.6620 25.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4130 76.0810 21.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 3 19 1 0 0 0 0 4 12 2 0 0 0 0 5 17 2 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 11 9 1 6 0 0 0 11 15 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 6 0 0 0 14 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 M END $$$$ 827788 OpenBabel12061010053D 9 8 0 0 0 0 0 0 0 0999 V2000 11.7460 -16.9080 23.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7740 -17.4050 22.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4540 -12.9110 25.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8850 -14.2130 23.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2550 -17.5790 26.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9610 -16.5470 25.0350 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5380 -16.9820 23.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6210 -15.2370 25.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2880 -14.0690 24.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 7 1 0 0 0 0 3 9 2 0 0 0 0 4 9 1 0 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 M END $$$$ 827790 OpenBabel12061010053D 20 22 0 0 0 0 0 0 0 0999 V2000 49.7480 98.5680 33.9320 Cl 0 0 0 0 0 0 0 0 0 0 0 0 50.6230 92.7860 35.4240 O 0 0 0 0 0 0 0 0 0 0 0 0 48.8750 93.4850 33.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 56.9020 88.7510 33.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 53.7980 91.4860 33.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 51.6950 91.9620 35.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 53.8060 90.1330 34.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 50.4140 94.1230 35.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 52.7410 92.3770 34.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 49.5340 94.4630 33.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 51.7240 90.6620 35.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 52.7640 89.7600 35.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 54.8590 89.2390 34.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 51.0880 95.1690 35.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 54.8540 91.8500 32.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 49.3270 95.8430 33.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 50.0040 96.8750 34.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 55.8900 89.6300 33.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 50.8840 96.5310 35.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 55.8890 90.9240 32.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 3 10 1 0 0 0 0 4 18 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 6 9 2 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 2 0 0 0 0 10 16 2 0 0 0 0 11 12 2 0 0 0 0 13 18 2 0 0 0 0 14 19 1 0 0 0 0 15 20 2 0 0 0 0 16 17 1 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 M END $$$$ 827832 OpenBabel12061010053D 4 3 0 0 0 0 0 0 0 0999 V2000 18.2330 28.0450 17.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4960 27.4590 16.6210 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2240 26.0310 16.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4710 25.2980 17.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 M END $$$$ 827833 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 27.9470 21.8230 32.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 28.9440 19.0110 29.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4620 18.2630 31.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 30.0310 21.5130 30.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4720 21.9930 30.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9510 20.5470 35.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2010 19.9520 30.2470 C 0 0 1 0 0 0 0 0 0 0 0 0 28.2250 19.4830 31.6940 C 0 0 1 0 0 0 0 0 0 0 0 0 28.6630 21.4020 30.1420 C 0 0 1 0 0 0 0 0 0 0 0 0 27.4580 20.4860 32.5430 C 0 0 1 0 0 0 0 0 0 0 0 0 27.8160 22.3200 31.0860 C 0 0 2 0 0 0 0 0 0 0 0 0 27.5760 20.0650 34.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 827860 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 4.1850 -1.8190 18.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3990 -2.6770 21.2390 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6440 -0.9730 21.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 -2.7630 16.6650 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4650 -2.1800 20.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -5.1640 18.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 -2.9000 18.4650 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 -2.7730 18.9000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1020 -1.9700 20.2040 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5480 -1.7560 20.6140 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8380 -2.0190 17.8340 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3240 -1.0460 19.4850 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8350 -0.8880 19.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -4.0780 18.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -3.9570 17.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 8 7 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 4 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 827863 OpenBabel12061010053D 16 17 0 0 0 0 0 0 0 0999 V2000 20.7840 81.1880 5.3660 S 0 0 0 0 0 0 0 0 0 0 0 0 18.9080 77.5700 3.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6760 83.1070 2.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0760 83.8980 4.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3920 79.2590 2.7110 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4150 79.7570 3.6420 N 0 0 0 0 0 0 0 0 0 0 0 0 20.4610 80.6920 2.7320 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0130 81.0670 3.4110 C 0 0 2 0 0 0 0 0 0 0 0 0 21.5140 81.3020 3.6340 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2240 78.7780 3.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2460 81.8910 4.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9020 80.5420 3.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9050 81.4860 4.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3610 80.8080 4.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4440 81.7590 4.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7220 82.9300 4.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 10 2 0 0 0 0 3 16 2 0 0 0 0 4 16 1 0 0 0 0 5 10 1 0 0 0 0 6 10 1 0 0 0 0 7 5 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 6 1 1 0 0 0 8 11 1 0 0 0 0 9 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 M END $$$$ 827878 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 32.2760 16.7080 25.2080 P 0 0 0 0 0 0 0 0 0 0 0 0 31.3980 15.4700 24.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 30.6840 14.3830 18.6060 O 0 0 0 0 0 0 0 0 0 0 0 0 33.6320 16.1350 25.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 31.4160 17.4890 26.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 32.6620 17.7250 24.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 32.8670 13.1680 19.7190 O 0 0 0 0 0 0 0 0 0 0 0 0 28.9650 16.2460 21.3610 N 0 0 0 0 0 0 0 0 0 0 0 0 30.9410 15.1280 22.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2600 14.5860 20.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4030 14.8900 19.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2630 15.7320 20.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8470 14.8190 23.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7950 15.9560 22.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5340 13.6730 20.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3440 16.0750 18.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 7 15 2 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 M END $$$$ 827887 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 6.8850 37.4020 10.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 37.8600 7.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2580 36.4140 9.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0100 37.9250 6.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0600 39.0130 9.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9150 38.4590 12.9930 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2010 38.2580 8.3660 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5980 37.8100 9.6770 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5110 37.5060 8.1770 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5860 38.0420 10.8290 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4880 37.7080 9.3480 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0640 37.4030 12.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 1 0 0 0 M END $$$$ 827912 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 5.0300 37.3650 9.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 38.0140 11.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 37.6930 12.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 38.7220 8.4540 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2670 38.0160 7.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3470 37.1580 10.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 38.2420 10.6920 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6940 37.4120 11.4650 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7210 37.9330 9.1730 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0330 37.7270 10.8450 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1350 38.1800 8.6590 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1650 36.9980 11.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 827923 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 36.7500 35.8480 34.2620 S 0 3 2 0 0 0 0 0 0 0 0 0 38.9250 36.7270 31.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 42.1820 35.4830 32.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.9460 34.3240 33.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 33.9040 30.1600 34.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 36.0990 30.5300 35.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 40.7700 37.7560 30.1240 N 0 0 0 0 0 0 0 0 0 0 0 0 41.2430 39.9090 29.7290 N 0 0 0 0 0 0 0 0 0 0 0 0 41.6450 36.7340 28.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 42.5770 38.4120 26.5400 N 0 0 0 0 0 0 0 0 0 0 0 0 42.6060 40.7010 27.0750 N 0 0 0 0 0 0 0 0 0 0 0 0 33.3420 32.3040 33.4770 N 0 0 0 0 0 0 0 0 0 0 0 0 40.2850 36.5490 30.7700 C 0 0 1 0 0 0 0 0 0 0 0 0 41.3740 37.7910 28.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 40.9810 36.2230 32.1050 C 0 0 1 0 0 0 0 0 0 0 0 0 41.6540 39.1290 28.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 39.8270 35.7570 32.9810 C 0 0 1 0 0 0 0 0 0 0 0 0 38.5490 35.9050 32.1550 C 0 0 1 0 0 0 0 0 0 0 0 0 40.7300 39.0550 30.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 42.2840 39.4390 27.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 37.4300 36.6380 32.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 42.2450 37.1390 26.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9740 34.2840 33.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4410 36.9590 34.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2900 33.3330 34.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7620 32.0900 33.8590 C 0 0 1 0 0 0 0 0 0 0 0 0 34.9140 30.8190 34.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 6 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 5 27 2 0 0 0 0 6 27 1 0 0 0 0 7 14 1 0 0 0 0 7 19 1 0 0 0 0 8 16 1 0 0 0 0 8 19 2 0 0 0 0 9 14 2 0 0 0 0 9 22 1 0 0 0 0 10 20 1 0 0 0 0 10 22 2 0 0 0 0 11 20 1 0 0 0 0 13 7 1 1 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 3 1 6 0 0 0 15 17 1 0 0 0 0 16 20 2 0 0 0 0 17 4 1 6 0 0 0 17 18 1 0 0 0 0 18 21 1 1 0 0 0 23 25 1 0 0 0 0 26 25 1 1 0 0 0 26 12 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 1 1 M END $$$$ 827941 OpenBabel12061010053D 21 22 0 0 0 0 0 0 0 0999 V2000 60.6730 70.7690 141.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 63.6810 68.2710 138.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 61.3550 70.1790 141.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 60.7370 69.4780 140.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 61.5060 68.7850 139.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 62.6930 70.2280 141.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 62.9570 68.8460 139.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 63.4970 69.5470 140.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 59.3650 69.4220 140.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 60.8760 68.0780 138.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 63.3510 70.9970 142.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 58.7580 68.7370 139.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 59.5000 68.0810 138.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 63.0900 72.4960 142.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 61.9450 72.9490 143.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 62.4260 73.9170 144.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 62.6170 73.1820 145.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 61.7620 73.7850 146.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 60.9560 75.0140 146.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 60.7620 75.9820 147.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 59.3110 76.4600 147.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 2 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 9 12 2 0 0 0 0 10 13 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 M END $$$$ 827997 OpenBabel12061010053D 6 5 0 0 0 0 0 0 0 0999 V2000 53.9430 4.7360 -42.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 51.6220 5.7880 -43.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 53.7980 5.5720 -41.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 51.2400 6.6310 -41.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 53.3610 5.4820 -42.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 51.9580 5.7970 -42.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 2 6 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 M END $$$$ 828000 OpenBabel12061010053D 36 43 0 0 0 0 0 0 0 0999 V2000 4.3020 3.8480 16.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3420 5.9660 14.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 9.9540 17.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7470 10.4470 19.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2140 5.1310 16.2190 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2490 5.8750 17.5380 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9180 10.1940 19.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 4.1690 13.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7560 6.2170 17.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5210 6.5310 17.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9280 7.0700 17.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3040 7.7170 18.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 4.0720 15.7860 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7170 8.2500 18.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 8.5640 18.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6050 5.2810 15.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0390 6.4950 16.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 7.7620 18.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 6.5900 18.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0380 4.4860 17.0630 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4980 4.5200 14.4200 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7630 9.3100 18.4540 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6260 9.8470 19.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0430 3.9210 14.5170 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2520 4.5570 15.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5290 4.5440 15.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3870 6.8940 16.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 8.6350 19.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8590 2.7130 15.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 6.3140 18.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8520 4.9520 15.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3170 6.1570 15.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 8.3850 19.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 7.2210 19.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 6.5710 13.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 3.5390 12.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 35 1 0 0 0 0 4 23 2 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 6 10 1 0 0 0 0 6 19 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 14 2 0 0 0 0 11 17 1 0 0 0 0 12 15 2 0 0 0 0 12 18 1 0 0 0 0 13 21 1 0 0 0 0 13 29 1 6 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 30 1 0 0 0 0 20 6 1 6 0 0 0 20 1 1 0 0 0 0 20 25 1 0 0 0 0 21 2 1 1 0 0 0 21 24 1 0 0 0 0 22 3 1 6 0 0 0 24 8 1 6 0 0 0 24 25 1 0 0 0 0 26 31 2 0 0 0 0 27 32 2 0 0 0 0 28 33 2 0 0 0 0 30 34 2 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 M END $$$$ 828013 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 29.4580 20.1310 -2.0780 S 0 3 2 0 0 0 0 0 0 0 0 0 27.7670 23.6080 -3.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4440 23.3470 -6.7780 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0620 20.9470 -5.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8530 15.4790 -3.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5610 14.6140 -1.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8700 25.5720 -4.5340 N 0 0 0 0 0 0 0 0 0 0 0 0 28.6560 27.6670 -4.2810 N 0 0 0 0 0 0 0 0 0 0 0 0 25.4790 26.0970 -4.6790 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9470 28.4020 -4.4920 N 0 0 0 0 0 0 0 0 0 0 0 0 26.5860 30.0440 -4.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 26.5520 16.9510 0.1810 N 0 0 0 0 0 0 0 0 0 0 0 0 27.7070 24.1130 -4.6660 C 0 0 1 0 0 0 0 0 0 0 0 0 26.7880 26.4300 -4.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8190 23.3610 -5.4010 C 0 0 1 0 0 0 0 0 0 0 0 0 27.2630 27.7460 -4.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7400 21.9740 -4.7670 C 0 0 1 0 0 0 0 0 0 0 0 0 28.1210 22.2400 -3.3800 C 0 0 1 0 0 0 0 0 0 0 0 0 28.9540 26.3650 -4.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2800 28.7290 -4.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0000 21.8750 -2.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5890 27.1080 -4.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9200 19.2490 -1.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5550 19.9400 -0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9930 17.6980 -1.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6900 16.9820 -1.2790 C 0 0 1 0 0 0 0 0 0 0 0 0 26.7070 15.5780 -1.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 1 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 5 27 2 0 0 0 0 6 27 1 0 0 0 0 7 14 1 0 0 0 0 7 19 1 0 0 0 0 8 16 1 0 0 0 0 8 19 2 0 0 0 0 9 14 2 0 0 0 0 9 22 1 0 0 0 0 10 20 1 0 0 0 0 10 22 2 0 0 0 0 11 20 1 0 0 0 0 13 7 1 1 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 3 1 6 0 0 0 15 17 1 0 0 0 0 16 20 2 0 0 0 0 17 4 1 6 0 0 0 17 18 1 0 0 0 0 18 21 1 6 0 0 0 23 25 1 0 0 0 0 26 25 1 1 0 0 0 26 12 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 1 1 M END $$$$ 828028 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 51.1870 -3.0580 42.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 52.5230 -0.3370 39.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 54.1680 -2.6480 40.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 53.3630 -5.3150 43.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 49.3390 1.1570 40.9440 O 0 0 0 0 0 0 0 0 0 0 0 0 49.6930 -0.8530 40.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 48.9360 -2.3750 42.2870 N 0 0 0 0 0 0 0 0 0 0 0 0 50.6870 -1.3100 40.9570 C 0 0 2 0 0 0 0 0 0 0 0 0 52.0070 -1.5670 40.2340 C 0 0 2 0 0 0 0 0 0 0 0 0 53.0300 -2.2090 41.1790 C 0 0 1 0 0 0 0 0 0 0 0 0 50.2070 -2.5950 41.6230 C 0 0 1 0 0 0 0 0 0 0 0 0 52.4360 -3.4130 41.9180 C 0 0 1 0 0 0 0 0 0 0 0 0 53.3600 -3.8980 43.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 49.3860 0.4330 39.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 49.0900 1.0060 38.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 828032 OpenBabel12061010053D 52 54 0 0 0 0 0 0 0 0999 V2000 45.5360 123.6560 119.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 47.6410 124.1650 122.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 49.6470 124.7850 121.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 44.9730 127.6440 124.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 47.4980 123.8350 118.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 48.8560 121.4580 122.5160 O 0 0 0 0 0 0 0 0 0 0 0 0 46.4460 127.1410 120.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 50.8750 121.5160 120.8150 O 0 0 0 0 0 0 0 0 0 0 0 0 43.0670 130.6950 124.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 47.1310 128.0160 124.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 45.0680 121.1030 118.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 45.1750 130.7310 122.5050 O 0 0 0 0 0 0 0 0 0 0 0 0 44.3560 129.0010 120.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 46.8310 120.2690 116.6880 N 0 0 0 0 0 0 0 0 0 0 0 0 46.1720 124.8090 120.4990 C 0 0 2 0 0 0 0 0 0 0 0 0 45.6180 125.1130 121.9190 C 0 0 2 0 0 0 0 0 0 0 0 0 46.8070 125.3380 122.8750 C 0 0 1 0 0 0 0 0 0 0 0 0 45.9630 125.9410 119.4760 C 0 0 1 0 0 0 0 0 0 0 0 0 50.0270 122.1110 122.9870 C 0 0 1 0 0 0 0 0 0 0 0 0 49.0010 124.4850 123.1340 C 0 0 2 0 0 0 0 0 0 0 0 0 46.3140 125.7630 124.2770 C 0 0 2 0 0 0 0 0 0 0 0 0 50.6730 122.6020 121.6830 C 0 0 2 0 0 0 0 0 0 0 0 0 46.5760 122.9160 119.4440 C 0 0 2 0 0 0 0 0 0 0 0 0 43.6240 129.4100 123.7930 C 0 0 2 0 0 0 0 0 0 0 0 0 49.7140 123.3440 123.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 49.8610 123.6760 121.0270 C 0 0 2 0 0 0 0 0 0 0 0 0 46.2160 127.2330 124.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 44.6800 129.0690 124.8930 C 0 0 1 0 0 0 0 0 0 0 0 0 46.0110 122.0230 118.2760 C 0 0 1 0 0 0 0 0 0 0 0 0 44.5110 126.1110 119.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 44.4000 129.5330 122.4630 C 0 0 1 0 0 0 0 0 0 0 0 0 47.1680 121.2250 117.6850 C 0 0 2 0 0 0 0 0 0 0 0 0 43.5460 129.4880 121.1690 C 0 0 1 0 0 0 0 0 0 0 0 0 44.1870 127.3470 118.2050 C 0 0 2 0 0 0 0 0 0 0 0 0 44.6150 124.0920 122.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 46.8080 125.6700 118.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 48.6470 123.2080 118.2600 C 0 0 1 0 0 0 0 0 0 0 0 0 48.1730 122.2690 117.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 50.9580 121.1750 123.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 43.4980 128.4340 118.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 47.1270 125.2950 125.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 44.2050 129.1820 126.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 42.4590 128.4530 123.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 50.5700 124.2710 119.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 42.7420 130.7230 120.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 43.3010 126.9500 117.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 47.9230 121.0530 123.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 49.4980 124.3110 117.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 45.2190 130.0610 119.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 47.7450 119.2100 116.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.4810 120.8500 115.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 45.3300 128.9680 127.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 3 20 1 0 0 0 0 3 26 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 23 1 0 0 0 0 5 37 1 0 0 0 0 6 47 1 0 0 0 0 10 27 2 0 0 0 0 13 33 1 0 0 0 0 13 40 1 0 0 0 0 13 49 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 1 1 6 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 1 0 0 0 17 2 1 1 0 0 0 17 21 1 0 0 0 0 18 7 1 1 0 0 0 18 30 1 0 0 0 0 18 36 1 0 0 0 0 19 6 1 6 0 0 0 19 22 1 0 0 0 0 19 25 1 0 0 0 0 19 39 1 0 0 0 0 20 2 1 6 0 0 0 20 25 1 0 0 0 0 21 27 1 0 0 0 0 21 41 1 6 0 0 0 22 8 1 6 0 0 0 22 26 1 0 0 0 0 23 1 1 6 0 0 0 23 29 1 0 0 0 0 24 9 1 1 0 0 0 24 28 1 0 0 0 0 24 31 1 0 0 0 0 24 43 1 0 0 0 0 26 44 1 1 0 0 0 28 42 1 1 0 0 0 29 11 1 1 0 0 0 29 32 1 0 0 0 0 30 34 1 0 0 0 0 31 12 1 1 0 0 0 31 33 1 0 0 0 0 32 14 1 6 0 0 0 32 38 1 0 0 0 0 33 45 1 6 0 0 0 34 40 1 0 0 0 0 34 46 1 1 0 0 0 37 38 1 0 0 0 0 37 48 1 6 0 0 0 42 52 1 0 0 0 0 M END $$$$ 828042 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 0.2090 48.6230 32.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9010 47.0130 32.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 45.8610 34.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 47.2410 33.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 46.3820 29.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1970 48.2560 30.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 49.9520 30.3040 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 48.3170 31.2140 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5590 47.0870 32.1190 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6560 47.1170 33.3490 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8880 48.6040 30.8910 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2370 47.3760 32.8580 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8230 47.4370 33.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0950 47.3190 29.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0240 47.4160 27.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 828043 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 4.5850 43.0120 39.7830 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0190 43.7550 41.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1070 41.1520 41.6440 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7360 45.2150 41.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 45.0500 38.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3980 40.3120 40.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2120 43.3410 40.7020 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3060 42.2540 41.2410 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4140 44.5130 40.1380 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2650 41.8370 40.2170 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4180 43.9510 39.1330 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2960 40.8830 40.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 828059 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 31.9160 107.0840 -4.1500 P 0 0 0 0 0 0 0 0 0 0 0 0 33.9430 105.2190 -3.2360 P 0 0 0 0 0 0 0 0 0 0 0 0 31.4510 108.2330 -8.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 31.8560 107.9100 -5.4710 O 0 0 0 0 0 0 0 0 0 0 0 0 33.1360 106.0940 -4.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4290 109.8920 -7.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 30.8430 111.1190 -7.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 32.1170 108.0410 -3.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 30.6630 106.3470 -3.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 34.2660 103.9010 -3.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 32.9580 105.0360 -1.9830 O 0 0 0 0 0 0 0 0 0 0 0 0 35.1890 105.9280 -2.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4920 107.0030 -8.9680 N 0 0 0 0 0 0 0 0 0 0 0 0 29.3710 104.8270 -8.8140 N 0 0 0 0 0 0 0 0 0 0 0 0 27.5820 107.2850 -10.5220 N 0 0 0 0 0 0 0 0 0 0 0 0 26.5400 105.2630 -11.1210 N 0 0 0 0 0 0 0 0 0 0 0 0 27.3260 103.2110 -10.2560 N 0 0 0 0 0 0 0 0 0 0 0 0 30.0170 108.3940 -8.7250 C 0 0 1 0 0 0 0 0 0 0 0 0 28.4890 106.6230 -9.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5630 109.0190 -7.3960 C 0 0 1 0 0 0 0 0 0 0 0 0 32.0160 108.9680 -7.5530 C 0 0 1 0 0 0 0 0 0 0 0 0 30.8330 109.7090 -6.8950 C 0 0 1 0 0 0 0 0 0 0 0 0 28.4200 105.1990 -9.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0250 105.8860 -8.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6830 107.8890 -6.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4230 104.5390 -10.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6110 106.6230 -11.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 18 13 1 1 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 6 1 6 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 1 0 0 0 22 7 1 6 0 0 0 23 26 2 0 0 0 0 M END $$$$ 828098 OpenBabel12061010053D 20 20 0 0 0 0 0 0 0 0999 V2000 11.8430 24.5030 11.8640 P 0 0 0 0 0 0 0 0 0 0 0 0 16.8920 18.1040 11.5850 P 0 0 0 0 0 0 0 0 0 0 0 0 13.7600 20.8150 12.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5690 22.7710 11.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5850 18.9300 12.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1160 21.3780 11.9930 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5270 17.4160 13.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2600 18.5720 12.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6280 24.0790 11.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3280 24.6270 13.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6820 24.9950 10.7040 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9760 18.6380 12.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0000 18.4000 10.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5040 16.7000 11.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4670 21.5620 12.5880 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3660 20.6940 11.9320 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6750 19.5210 13.3120 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6120 18.6410 12.6560 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2620 19.3790 12.6940 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1070 18.9610 13.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 9 2 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 5 1 0 0 0 0 2 12 2 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 15 1 0 0 0 0 3 17 1 0 0 0 0 5 20 1 0 0 0 0 15 4 1 6 0 0 0 15 16 1 0 0 0 0 16 6 1 1 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 6 0 0 0 18 7 1 1 0 0 0 18 19 1 0 0 0 0 19 8 1 6 0 0 0 M END $$$$ 828165 OpenBabel12061010053D 41 44 0 0 0 0 0 0 0 0999 V2000 44.1180 -0.5980 24.1860 Cl 0 0 0 0 0 0 0 0 0 0 0 0 44.4980 0.0350 31.4090 O 0 0 0 0 0 0 0 0 0 0 0 0 44.0990 -1.3020 29.2920 N 0 0 0 0 0 0 0 0 0 0 0 0 44.1940 -3.4800 29.3120 N 0 0 0 0 0 0 0 0 0 0 0 0 45.0200 -3.1220 23.4480 N 0 3 0 0 0 0 0 0 0 0 0 0 43.9930 -4.9990 24.2600 N 0 0 0 0 0 0 0 0 0 0 0 0 44.1530 -1.6620 28.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 44.1090 -2.3690 30.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 44.2230 -2.9920 28.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 43.9810 -2.2860 31.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 43.9550 -0.9660 33.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 44.1460 -1.0570 32.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 44.3170 -3.7170 26.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 44.1710 -0.9350 26.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 44.3240 -3.0420 25.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 43.6250 -3.4170 32.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 44.2490 -1.6280 25.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 44.1520 0.2090 34.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 43.5870 -2.1110 34.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 43.4290 -3.3150 33.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 44.4310 -3.7590 24.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 44.9260 0.1190 35.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 43.6340 1.4600 33.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 45.1680 1.2400 36.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 43.8830 2.5780 34.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 44.6450 2.4710 35.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 44.0400 -0.3840 29.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 44.3590 -4.7930 26.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 44.1190 0.1440 26.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 43.4950 -4.3700 31.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 43.4260 -2.0660 35.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 43.1520 -4.1770 34.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 45.3530 -0.8290 35.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 43.0390 1.5820 33.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 45.7620 1.1490 37.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 43.4840 3.5490 34.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 44.8260 3.3350 36.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 45.3330 -2.1800 23.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 45.1730 -3.4940 22.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 43.5950 -5.4860 25.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 44.0460 -5.5240 23.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 12 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 27 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 21 2 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 21 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 9 1 0 0 0 0 7 14 2 0 0 0 0 8 10 1 0 0 0 0 9 13 2 0 0 0 0 10 12 1 0 0 0 0 10 16 2 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 14 17 1 0 0 0 0 14 29 1 0 0 0 0 15 17 2 0 0 0 0 15 21 1 0 0 0 0 16 20 1 0 0 0 0 16 30 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 22 24 1 0 0 0 0 22 33 1 0 0 0 0 23 25 2 0 0 0 0 23 34 1 0 0 0 0 24 26 2 0 0 0 0 24 35 1 0 0 0 0 25 26 1 0 0 0 0 25 36 1 0 0 0 0 26 37 1 0 0 0 0 M CHG 1 5 1 M END $$$$ 828172 OpenBabel12061010053D 31 33 0 0 0 0 0 0 0 0999 V2000 43.7310 0.3260 31.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 44.2410 -1.3050 29.7810 N 0 0 0 0 0 0 0 0 0 0 0 0 43.5560 -3.4050 29.7520 N 0 0 0 0 0 0 0 0 0 0 0 0 44.2150 -5.0740 24.9500 N 0 3 0 0 0 0 0 0 0 0 0 0 44.8110 -3.1340 23.8950 N 0 0 0 0 0 0 0 0 0 0 0 0 44.3680 -1.7070 28.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 43.9510 -2.9870 28.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 43.7700 -2.2990 30.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 43.9670 -3.7260 27.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 43.5750 -2.1570 31.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 44.4310 -3.0990 26.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 44.8190 -1.0540 27.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 44.8530 -1.7560 26.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 43.5740 -0.8650 32.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 43.3790 -3.3150 32.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 44.4880 -3.7890 24.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 43.3800 -0.7990 33.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 43.1830 -3.2160 33.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 43.1850 -1.9650 34.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 44.4450 -0.4320 30.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 43.6330 -4.7520 27.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 45.1360 -0.0270 27.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 45.2130 -1.2410 25.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 43.3750 -4.2930 32.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 43.3880 0.1580 34.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 43.0320 -4.1050 34.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 43.0370 -1.8990 35.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 44.0000 -5.5520 25.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 44.2200 -5.6430 24.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 44.9950 -2.1420 23.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 44.9090 -3.5580 23.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 2 20 1 0 0 0 0 3 7 1 0 0 0 0 3 8 2 0 0 0 0 4 16 2 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 16 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 12 2 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 10 14 1 0 0 0 0 10 15 2 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 14 17 2 0 0 0 0 15 18 1 0 0 0 0 15 24 1 0 0 0 0 17 19 1 0 0 0 0 17 25 1 0 0 0 0 18 19 2 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 M CHG 1 4 1 M END $$$$ 828178 OpenBabel12061010053D 41 43 0 0 0 0 0 0 0 0999 V2000 42.7640 0.3310 34.8480 Br 0 0 0 0 0 0 0 0 0 0 0 0 43.5180 0.0390 31.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 40.0880 -5.4650 33.5210 O 0 0 0 0 0 0 0 0 0 0 0 0 39.7730 -3.9070 34.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 43.7200 -6.5260 36.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 43.7300 -5.1580 38.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 43.9310 -1.3530 29.7430 N 0 0 0 0 0 0 0 0 0 0 0 0 43.3230 -3.4760 29.6000 N 0 0 0 0 0 0 0 0 0 0 0 0 44.0940 -4.9480 24.7090 N 0 3 0 0 0 0 0 0 0 0 0 0 44.7340 -2.9830 23.7680 N 0 0 0 0 0 0 0 0 0 0 0 0 42.0150 -4.7240 34.7100 C 0 0 1 0 0 0 0 0 0 0 0 0 42.4840 -3.5100 33.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 43.1650 -2.3910 31.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 43.4780 -2.4010 30.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 42.8010 -3.5550 32.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 42.2260 -4.6100 36.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 44.1040 -1.7050 28.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 43.7340 -2.9900 28.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 42.5430 -2.3050 34.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 43.1940 -1.1870 32.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 42.8800 -1.2220 33.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 43.7910 -3.7100 27.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 44.5690 -0.9870 27.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 40.4860 -4.6980 34.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 44.2690 -3.0360 26.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 44.6470 -1.6690 26.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 43.3160 -5.5170 37.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 44.3680 -3.6740 24.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 42.4700 -5.6160 34.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 42.7620 -4.5050 31.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 42.4570 -3.6050 36.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 41.2860 -4.8500 36.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 44.0870 -0.4670 30.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 42.3310 -2.1530 35.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 43.4830 -4.7430 27.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 44.8610 0.0460 27.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 45.0200 -1.1210 25.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 43.8190 -5.4480 25.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 44.0960 -5.4790 23.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 44.9450 -2.0000 23.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 44.8540 -3.3810 22.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 20 1 0 0 0 0 3 24 2 0 0 0 0 4 24 1 0 0 0 0 5 27 2 0 0 0 0 6 27 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 7 33 1 0 0 0 0 8 14 2 0 0 0 0 8 18 1 0 0 0 0 9 28 2 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 28 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 24 1 0 0 0 0 11 29 1 6 0 0 0 12 15 1 0 0 0 0 12 19 2 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 20 1 0 0 0 0 15 30 1 0 0 0 0 16 27 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 23 2 0 0 0 0 18 22 2 0 0 0 0 19 21 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 22 25 1 0 0 0 0 22 35 1 0 0 0 0 23 26 1 0 0 0 0 23 36 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 37 1 0 0 0 0 M CHG 1 9 1 M END $$$$ 828191 OpenBabel12061010053D 41 44 0 0 0 0 0 0 0 0999 V2000 43.6250 0.6460 31.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 44.1890 -0.8010 30.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 43.4640 -2.9130 30.0800 N 0 0 0 0 0 0 0 0 0 0 0 0 44.1500 -4.9930 25.4230 N 0 3 0 0 0 0 0 0 0 0 0 0 44.5580 -3.1040 24.2160 N 0 0 0 0 0 0 0 0 0 0 0 0 44.3040 -1.3040 28.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 43.6990 -1.7770 30.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 43.8610 -2.5680 28.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 43.3540 -1.6740 32.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 42.9510 -0.3070 34.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 43.3010 -0.4460 32.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 43.8470 -3.4180 27.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 44.7770 -0.7460 27.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 44.3240 -2.9170 26.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 43.0410 -2.8080 32.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 44.7860 -1.5640 26.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 42.8900 0.9270 34.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 42.6480 -1.4910 34.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 42.6940 -2.7240 34.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 44.3460 -3.6970 25.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 43.9510 1.8170 34.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 41.7680 1.3200 35.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 43.9300 3.0260 35.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 41.7270 2.5380 36.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 42.8160 3.3880 36.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 44.4150 0.1010 30.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 43.4790 -4.4320 27.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 45.1270 0.2700 27.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 43.0700 -3.7830 32.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 45.1620 -1.1360 25.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 42.3730 -1.4500 35.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 42.4530 -3.6210 34.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 44.8210 1.5540 34.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 41.0000 0.6660 35.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 44.7850 3.6830 35.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 40.8520 2.8180 36.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 42.7890 4.3360 36.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 43.9980 -5.4260 26.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 44.1510 -5.6140 24.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 44.6640 -2.0990 24.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 44.6610 -3.5950 23.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 26 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 4 20 2 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 20 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 8 1 0 0 0 0 6 13 2 0 0 0 0 7 9 1 0 0 0 0 8 12 2 0 0 0 0 9 11 1 0 0 0 0 9 15 2 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 13 16 1 0 0 0 0 13 28 1 0 0 0 0 14 16 2 0 0 0 0 14 20 1 0 0 0 0 15 19 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 21 23 1 0 0 0 0 21 33 1 0 0 0 0 22 24 2 0 0 0 0 22 34 1 0 0 0 0 23 25 2 0 0 0 0 23 35 1 0 0 0 0 24 25 1 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 M CHG 1 4 1 M END $$$$ 828233 OpenBabel12061010053D 6 5 0 0 0 0 0 0 0 0999 V2000 14.3100 28.7360 17.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8680 28.0340 16.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0380 28.1180 19.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4950 28.2430 18.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1560 28.5030 17.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6000 28.3120 17.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 2 6 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 M END $$$$ 828234 OpenBabel12061010053D 11 11 0 0 0 0 0 0 0 0999 V2000 18.5160 20.2460 32.5230 P 0 0 0 0 0 0 0 0 0 0 0 0 17.3960 19.0830 31.9380 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8160 21.4540 33.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3890 20.6690 31.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4160 19.4690 33.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6840 17.8110 31.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6760 16.6310 32.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0270 17.8120 29.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2220 15.5570 31.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5480 16.6950 29.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6700 15.5900 30.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 2 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 M END $$$$ 828235 OpenBabel12061010053D 13 13 0 0 0 0 0 0 0 0999 V2000 15.2010 28.7360 19.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5550 27.7630 15.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7150 28.8540 17.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5030 29.9270 16.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8570 28.1530 17.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4520 26.9890 18.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4510 28.5630 18.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3990 28.6210 16.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7110 27.0130 19.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7050 25.7850 18.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1630 25.8080 19.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1360 24.5930 18.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3950 24.6180 19.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 8 2 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 12 13 1 0 0 0 0 M END $$$$ 828237 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 15.7620 28.8790 17.5730 P 0 0 0 0 0 0 0 0 0 0 0 0 18.1670 28.5450 15.7620 P 0 0 0 0 0 0 0 0 0 0 0 0 19.6030 28.5840 15.9490 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8290 28.4360 16.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5620 29.8290 15.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7680 27.4930 14.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0020 30.5070 17.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2810 28.6420 18.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3880 28.1970 17.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5680 26.9090 17.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7780 25.8430 17.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5380 26.6550 18.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8780 24.5720 17.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5760 25.3540 19.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7500 24.3370 19.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 3 2 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 2 0 0 0 0 13 15 2 0 0 0 0 14 15 1 0 0 0 0 M END $$$$ 828241 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 35.2560 9.4040 8.1520 P 0 0 0 0 0 0 0 0 0 0 0 0 32.4940 9.1700 6.9080 P 0 0 0 0 0 0 0 0 0 0 0 0 38.0090 8.0530 5.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 36.3250 9.0460 7.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 33.7150 9.5320 7.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 36.8190 6.9470 2.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 34.6410 8.0410 3.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 35.5660 10.7720 8.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 35.5770 8.5760 9.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 31.6900 7.9810 7.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 31.4960 10.3210 7.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 32.9360 9.2950 5.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 38.1660 5.7230 5.5640 N 0 0 0 0 0 0 0 0 0 0 0 0 38.1520 4.6460 7.5720 N 0 0 0 0 0 0 0 0 0 0 0 0 38.9370 3.9050 4.1600 N 0 0 0 0 0 0 0 0 0 0 0 0 39.3140 1.9270 5.4420 N 0 0 0 0 0 0 0 0 0 0 0 0 38.9320 1.8170 7.8220 N 0 0 0 0 0 0 0 0 0 0 0 0 38.0210 6.7760 4.5640 C 0 0 1 0 0 0 0 0 0 0 0 0 38.5640 4.4870 5.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 36.6610 6.6710 3.8870 C 0 0 1 0 0 0 0 0 0 0 0 0 36.8490 8.7690 4.8070 C 0 0 1 0 0 0 0 0 0 0 0 0 35.8050 7.6770 4.6070 C 0 0 1 0 0 0 0 0 0 0 0 0 38.5550 3.8120 6.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 37.9000 5.8150 6.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 36.6190 9.7890 5.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 38.9410 2.4900 6.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 39.3200 2.5860 4.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 18 13 1 1 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 6 1 6 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 1 0 0 0 22 7 1 6 0 0 0 23 26 2 0 0 0 0 M END $$$$ 828250 OpenBabel12061010053D 13 12 0 0 0 0 0 0 0 0999 V2000 48.8080 44.6380 17.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 47.5980 41.8270 18.4310 O 0 0 0 0 0 0 0 0 0 0 0 0 47.2900 46.9620 17.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 49.5610 43.2540 20.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 44.5060 47.8300 16.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 47.5990 43.9880 17.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 49.2560 45.6360 16.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 47.0890 43.1670 18.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 48.6660 46.9500 17.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 48.9420 41.6190 18.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 46.4510 47.4090 18.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 49.0460 41.9360 20.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 45.0550 46.9370 17.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 M END $$$$ 828265 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 43.0200 42.8260 -1.6230 P 0 0 0 0 0 0 0 0 0 0 0 0 41.5690 42.2650 -2.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 38.0640 39.3270 1.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 43.1050 42.5950 -0.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 43.1660 44.2170 -2.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 43.9930 41.8120 -2.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 41.1500 40.0120 0.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 36.8840 41.3100 -1.8960 N 0 0 0 0 0 0 0 0 0 0 0 0 39.1460 42.0140 -1.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 39.1650 41.0640 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 38.0290 40.2430 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8760 40.3730 -0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 40.3470 42.9490 -1.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 38.0070 42.1220 -2.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 40.4000 40.9120 0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 35.6180 39.5040 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 7 15 1 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 M END $$$$ 828268 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 127.6910 72.3940 122.1960 P 0 0 0 0 0 0 0 0 0 0 0 0 125.0330 72.3390 120.9580 P 0 0 0 0 0 0 0 0 0 0 0 0 130.8280 76.2330 121.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 128.0800 73.8960 121.6170 O 0 0 0 0 0 0 0 0 0 0 0 0 126.1410 72.1650 122.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 129.5180 76.0970 118.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 128.9320 77.8630 120.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 128.1470 72.3570 123.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 128.4940 71.3310 121.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 124.2340 73.5650 121.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 125.6790 72.4390 119.5010 O 0 0 0 0 0 0 0 0 0 0 0 0 124.0280 71.0610 121.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 132.1130 75.2580 119.8560 N 0 0 0 0 0 0 0 0 0 0 0 0 132.9920 73.1800 119.7440 N 0 0 0 0 0 0 0 0 0 0 0 0 134.0290 76.5080 118.9950 N 0 0 0 0 0 0 0 0 0 0 0 0 135.9170 75.1200 118.4870 N 0 0 0 0 0 0 0 0 0 0 0 0 135.9210 72.8380 118.7060 N 0 0 0 0 0 0 0 0 0 0 0 0 131.0690 76.2580 120.1710 C 0 0 1 0 0 0 0 0 0 0 0 0 133.3780 75.3820 119.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 129.7420 75.7820 119.5520 C 0 0 1 0 0 0 0 0 0 0 0 0 129.4230 76.0270 121.8360 C 0 0 1 0 0 0 0 0 0 0 0 0 128.7590 76.4780 120.5030 C 0 0 1 0 0 0 0 0 0 0 0 0 133.9230 74.1110 119.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 131.9490 73.8910 120.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 129.1100 74.6380 122.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 135.2420 73.9890 118.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 135.2660 76.2690 118.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 18 13 1 1 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 6 1 6 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 6 0 0 0 22 7 1 1 0 0 0 23 26 2 0 0 0 0 M END $$$$ 828269 OpenBabel12061010053D 8 7 0 0 0 0 0 0 0 0999 V2000 7.1110 7.3090 44.7400 P 0 0 0 0 0 0 0 0 0 0 0 0 6.0260 7.2690 45.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1190 8.4350 44.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8140 5.8950 44.7080 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2140 7.4640 43.4710 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4200 7.2170 47.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2720 8.5850 47.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5780 6.1980 48.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 M END $$$$ 828392 OpenBabel12061010053D 25 27 0 0 0 0 0 0 0 0999 V2000 9.3620 2.8280 41.9410 S 0 0 0 0 0 0 0 0 0 0 0 0 9.5290 2.9830 45.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1600 3.8280 47.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8400 5.3210 45.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2960 -2.0580 44.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7880 3.9050 46.9990 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9110 4.5520 46.9300 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5200 4.1510 49.4510 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4890 4.9330 50.5760 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4440 5.3800 49.3720 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7930 -0.1200 45.5000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4490 3.3880 46.5900 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1850 4.1980 48.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3520 4.4290 46.6880 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5120 4.6110 48.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1900 4.9470 45.2700 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6630 3.7780 44.4190 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8660 4.1140 46.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1730 4.9800 49.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4010 4.1620 43.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1800 4.5190 50.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6680 1.7740 42.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2340 0.3680 43.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2180 0.1820 44.1850 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3140 -0.9670 43.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 22 1 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 5 25 2 0 0 0 0 6 13 1 0 0 0 0 6 18 1 0 0 0 0 7 15 1 0 0 0 0 7 18 2 0 0 0 0 8 13 2 0 0 0 0 8 21 1 0 0 0 0 9 19 1 0 0 0 0 9 21 2 0 0 0 0 10 19 1 0 0 0 0 12 6 1 6 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 3 1 6 0 0 0 14 16 1 0 0 0 0 15 19 2 0 0 0 0 16 4 1 1 0 0 0 16 17 1 0 0 0 0 17 20 1 1 0 0 0 22 23 1 0 0 0 0 24 23 1 6 0 0 0 24 11 1 0 0 0 0 24 25 1 0 0 0 0 M END $$$$ 828452 OpenBabel12061010053D 23 25 0 0 0 0 0 0 0 0999 V2000 68.3440 47.5870 15.3520 S 0 0 0 0 0 0 0 0 0 0 0 0 67.9530 43.3330 13.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 71.4670 42.8760 14.1560 O 0 0 0 0 0 0 0 0 0 0 0 0 69.8360 42.2000 16.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 68.4450 46.0470 14.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 66.9110 47.9460 15.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 69.3200 48.2540 14.4610 O 0 0 0 0 0 0 0 0 0 0 0 0 69.2710 43.2840 11.9420 N 0 0 0 0 0 0 0 0 0 0 0 0 69.3340 44.4880 10.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 69.5960 41.0560 11.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 69.8660 41.1030 8.6350 N 0 0 0 0 0 0 0 0 0 0 0 0 69.8200 43.0250 7.3550 N 0 0 0 0 0 0 0 0 0 0 0 0 68.8530 47.6990 16.9020 N 0 0 0 0 0 0 0 0 0 0 0 0 69.1940 42.9180 13.3590 C 0 0 1 0 0 0 0 0 0 0 0 0 69.4660 42.3890 10.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 70.2500 43.5870 14.2370 C 0 0 1 0 0 0 0 0 0 0 0 0 69.6010 43.4920 15.6140 C 0 0 1 0 0 0 0 0 0 0 0 0 68.1130 43.6800 15.2950 C 0 0 1 0 0 0 0 0 0 0 0 0 69.5130 43.1410 9.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 69.1930 44.5200 11.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 69.7330 42.4430 8.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 67.5650 45.0680 15.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 69.7890 40.5130 9.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 13 1 0 0 0 0 2 14 1 0 0 0 0 2 18 1 0 0 0 0 5 22 1 0 0 0 0 8 15 1 0 0 0 0 8 20 1 0 0 0 0 9 19 1 0 0 0 0 9 20 2 0 0 0 0 10 15 1 0 0 0 0 10 23 2 0 0 0 0 11 21 2 0 0 0 0 11 23 1 0 0 0 0 12 21 1 0 0 0 0 14 8 1 6 0 0 0 14 16 1 0 0 0 0 15 19 2 0 0 0 0 16 3 1 1 0 0 0 16 17 1 0 0 0 0 17 4 1 6 0 0 0 17 18 1 0 0 0 0 18 22 1 6 0 0 0 19 21 1 0 0 0 0 M END $$$$ 828453 OpenBabel12061010053D 7 6 0 0 0 0 0 0 0 0999 V2000 0.4650 29.2780 12.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 28.5140 15.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 31.4890 12.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6670 28.2520 14.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 30.2560 12.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 28.9370 14.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 30.2810 14.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 2 6 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 7 1 0 0 0 0 M END $$$$ 828526 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 77.2910 52.8870 22.2570 S 0 0 0 0 0 0 0 0 0 0 0 0 72.0810 55.8680 15.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 74.9710 53.8860 23.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 73.4820 54.3880 19.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 72.5030 55.4180 16.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 72.1270 54.6610 19.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 74.3190 54.5250 18.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 73.9700 53.9020 20.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 71.6720 55.1830 17.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 73.8510 55.0920 16.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 75.2230 53.6080 20.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 75.6250 53.4580 22.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 5 1 0 0 0 0 3 12 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 8 11 2 0 0 0 0 11 12 1 0 0 0 0 M END $$$$ 828557 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 155.2350 28.4930 20.0660 P 0 0 0 0 0 0 0 0 0 0 0 0 154.9420 28.0100 21.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 154.5460 29.8220 19.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 156.7310 28.5470 19.8860 O 0 0 0 0 0 0 0 0 0 0 0 0 154.5540 27.4100 19.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 155.2940 27.8770 24.9590 O 0 0 0 0 0 0 0 0 0 0 0 0 155.0350 26.2320 23.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 155.4880 28.5160 22.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 155.2550 27.4510 23.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 156.0970 29.7020 22.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 8 1 0 0 0 0 6 9 2 0 0 0 0 7 9 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 M END $$$$ 828589 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 41.8740 21.5180 27.4610 O 0 0 0 0 0 0 0 0 0 0 0 0 39.2770 24.4150 28.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 42.0700 25.1520 27.8960 O 0 0 0 0 0 0 0 0 0 0 0 0 39.6540 21.7040 29.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 40.4760 21.9500 25.6970 O 0 0 0 0 0 0 0 0 0 0 0 0 44.6540 21.9440 27.2390 O 0 0 0 0 0 0 0 0 0 0 0 0 40.0760 23.6950 27.8720 C 0 0 1 0 0 0 0 0 0 0 0 0 41.5810 23.8360 28.2470 C 0 0 1 0 0 0 0 0 0 0 0 0 39.6200 22.2290 27.8820 C 0 0 1 0 0 0 0 0 0 0 0 0 42.4350 22.8500 27.4620 C 0 0 1 0 0 0 0 0 0 0 0 0 40.5340 21.4160 26.9850 C 0 0 2 0 0 0 0 0 0 0 0 0 43.8330 22.7470 28.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 828599 OpenBabel12061010053D 9 8 0 0 0 0 0 0 0 0999 V2000 -28.7150 40.5770 3.1900 P 0 0 0 0 0 0 0 0 0 0 0 0 -27.5280 41.1510 2.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 -29.7990 41.5710 2.8840 O 0 0 0 0 0 0 0 0 0 0 0 0 -29.0590 39.2020 2.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 -28.3250 40.4630 4.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 -24.0180 41.2050 1.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 -25.5000 42.7720 1.7690 O 0 0 0 0 0 0 0 0 0 0 0 0 -26.2290 40.5270 2.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -25.1940 41.5540 1.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 8 1 0 0 0 0 6 9 2 0 0 0 0 7 9 1 0 0 0 0 8 9 1 0 0 0 0 M END $$$$ 828646 OpenBabel12061010053D 23 24 0 0 0 0 0 0 0 0999 V2000 -46.2720 -15.0600 -14.6470 O 0 0 0 0 0 0 0 0 0 0 0 0 -47.0200 -12.9340 -14.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -44.9170 -14.2440 -12.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 -48.8650 -15.9510 -14.6050 O 0 0 0 0 0 0 0 0 0 0 0 0 -50.0050 -14.1820 -12.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 -43.9850 -16.2320 -15.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 -48.4900 -12.8170 -16.5350 O 0 0 0 0 0 0 0 0 0 0 0 0 -43.3750 -17.9860 -13.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 -44.6120 -17.5380 -11.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 -47.9020 -12.8310 -10.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 -46.1150 -15.5190 -9.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 -47.2900 -14.0240 -14.8500 C 0 0 2 0 0 0 0 0 0 0 0 0 -48.6550 -14.5810 -14.3610 C 0 0 2 0 0 0 0 0 0 0 0 0 -48.6690 -14.1750 -12.9020 C 0 0 1 0 0 0 0 0 0 0 0 0 -48.0630 -12.7740 -13.0260 C 0 0 1 0 0 0 0 0 0 0 0 0 -44.9510 -14.6450 -14.2580 C 0 0 1 0 0 0 0 0 0 0 0 0 -43.9730 -15.8120 -14.4350 C 0 0 1 0 0 0 0 0 0 0 0 0 -47.2700 -13.5190 -16.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -44.3250 -16.9480 -13.4750 C 0 0 2 0 0 0 0 0 0 0 0 0 -45.2770 -15.3030 -11.9200 C 0 0 1 0 0 0 0 0 0 0 0 0 -44.2850 -16.4410 -12.0850 C 0 0 1 0 0 0 0 0 0 0 0 0 -47.5090 -12.1450 -11.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -45.2440 -14.7580 -10.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 3 20 1 0 0 0 0 7 18 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 1 1 1 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 4 1 1 0 0 0 13 14 1 0 0 0 0 14 5 1 6 0 0 0 14 15 1 0 0 0 0 15 22 1 1 0 0 0 16 1 1 1 0 0 0 16 17 1 0 0 0 0 17 6 1 6 0 0 0 17 19 1 0 0 0 0 19 8 1 1 0 0 0 19 21 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 1 0 0 0 21 9 1 6 0 0 0 M END $$$$ 828647 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 22.7900 14.9420 10.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5990 12.3470 12.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2640 11.3760 10.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8080 14.8380 12.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9650 15.3620 9.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3500 13.8190 8.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4680 13.0340 11.7550 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1590 12.6680 11.0570 C 0 0 1 0 0 0 0 0 0 0 0 0 24.5100 14.5100 12.1070 C 0 0 2 0 0 0 0 0 0 0 0 0 22.7740 13.6540 9.9630 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0540 15.3970 10.9530 C 0 0 2 0 0 0 0 0 0 0 0 0 21.3780 13.4090 9.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 6 0 0 0 M END $$$$ 828674 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 0.4050 36.5760 283.6650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 38.9260 281.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 38.6340 285.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 36.6050 282.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 39.6990 285.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5640 37.0490 280.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 37.6300 284.0780 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1610 38.2790 282.8130 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1140 38.7060 284.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 37.2410 281.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 3 9 2 0 0 0 0 4 10 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 1 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 2 1 6 0 0 0 8 10 1 0 0 0 0 M END $$$$ 828685 OpenBabel12061010053D 25 28 0 0 0 0 0 0 0 0999 V2000 6.2950 46.1090 52.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 40.0740 48.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2650 44.0820 49.9480 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9890 44.4600 50.5040 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3430 46.7070 52.3480 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9370 45.4970 51.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5740 42.8240 48.9250 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6840 45.7910 51.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6420 45.0600 50.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2750 45.4380 51.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9420 43.7930 49.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6820 46.4860 52.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4020 42.1440 48.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9330 45.9430 51.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6420 42.0560 50.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9730 41.5130 47.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 46.1880 52.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0270 40.7230 48.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4640 41.3470 50.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7650 40.8060 47.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 45.7520 52.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 45.4590 54.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 45.8900 53.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 45.8140 55.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 45.3580 55.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 2 18 1 0 0 0 0 3 9 2 0 0 0 0 3 11 1 0 0 0 0 4 10 1 0 0 0 0 4 11 2 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 6 9 1 0 0 0 0 6 12 2 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 15 19 1 0 0 0 0 16 20 2 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 25 1 0 0 0 0 M END $$$$ 828688 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 48.4700 118.8370 32.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 46.9640 116.5090 34.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 48.6750 117.8300 34.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 46.9010 118.2960 27.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 45.4900 117.0580 28.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 47.7010 117.8920 32.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 47.7290 117.3370 33.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 46.8580 117.4040 31.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 47.5160 117.7720 29.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 46.6190 117.7270 28.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 7 2 0 0 0 0 3 7 1 0 0 0 0 4 10 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 M END $$$$ 828713 OpenBabel12061010053D 16 17 0 0 0 0 0 0 0 0999 V2000 49.9620 159.8450 30.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 52.3930 155.1900 27.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 51.0060 159.1000 29.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 51.7350 155.7290 28.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 48.5990 159.6190 30.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 53.0200 156.0440 26.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 50.3680 160.7760 31.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 52.3630 153.8170 26.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 50.8750 157.7400 29.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 51.9530 157.0260 28.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 47.6450 160.3130 31.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 53.6180 155.5200 25.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 49.4140 161.4680 32.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 52.9620 153.2960 25.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 53.5870 154.1470 24.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 48.0530 161.2380 32.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 6 2 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 7 13 2 0 0 0 0 8 14 2 0 0 0 0 9 10 1 0 0 0 0 11 16 2 0 0 0 0 12 15 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 M END $$$$ 828764 OpenBabel12061010053D 13 13 0 0 0 0 0 0 0 0999 V2000 19.1180 16.4580 -1.0700 S 0 0 0 0 0 0 0 0 0 0 0 0 18.3090 17.6430 -0.6570 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6970 16.5750 -2.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2740 15.2220 -1.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3610 14.6260 -0.3650 N 0 0 0 0 0 0 0 0 0 0 0 0 20.3530 16.2020 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7470 13.7720 -1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0860 15.1490 -0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8610 14.0310 -2.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9300 12.6870 -1.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1580 13.1590 -3.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2360 11.8050 -2.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3560 12.0590 -3.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 12 13 1 0 0 0 0 M END $$$$ 828786 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 49.2630 0.6860 1.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 52.6990 -1.4090 1.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 50.8180 -1.9930 -0.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 47.6660 -1.6100 0.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 52.6710 0.8700 4.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 52.6940 1.3790 2.1090 N 0 0 0 0 0 0 0 0 0 0 0 0 49.8630 2.1800 2.6020 N 0 0 0 0 0 0 0 0 0 0 0 0 51.5060 0.6300 1.7170 C 0 0 2 0 0 0 0 0 0 0 0 0 51.8800 -0.3630 0.6050 C 0 0 2 0 0 0 0 0 0 0 0 0 50.6110 -1.0900 0.2010 C 0 0 1 0 0 0 0 0 0 0 0 0 50.3100 1.5620 1.3450 C 0 0 1 0 0 0 0 0 0 0 0 0 49.5160 -0.0970 -0.1300 C 0 0 1 0 0 0 0 0 0 0 0 0 48.2760 -0.8110 -0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 53.1150 1.5030 3.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 54.2010 2.4920 3.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 828792 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 -7.3390 27.4860 50.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1140 31.6240 50.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9840 30.4020 51.9030 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1090 28.0930 52.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4980 32.2400 49.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7500 30.0060 49.5690 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1950 27.9230 51.3180 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0980 29.4760 49.6660 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9190 30.3200 50.6520 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.2760 29.6670 50.9140 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.0260 28.0170 50.1340 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.0650 28.2260 51.3810 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.3750 27.4970 51.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5280 31.1840 48.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2980 31.1950 47.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 828796 OpenBabel12061010053D 12 11 0 0 0 0 0 0 0 0999 V2000 8.5980 -3.4340 23.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4180 -3.8260 25.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9580 0.2380 23.6520 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8620 -1.3090 26.2220 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1660 -0.3980 23.7220 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5060 1.1490 22.1650 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2790 -1.5290 24.8630 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0830 -3.0390 24.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2200 -0.9400 23.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4870 0.5690 23.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2060 0.3350 23.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7770 0.9720 23.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 8 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 5 11 2 0 0 0 0 6 11 1 0 0 0 0 7 4 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 M END $$$$ 828799 OpenBabel12061010053D 13 14 0 0 0 0 0 0 0 0999 V2000 13.6330 2.7210 20.5240 Br 0 0 0 0 0 0 0 0 0 0 0 0 13.3750 -1.6740 26.7110 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0340 -1.5470 25.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0830 0.0190 23.2900 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2790 0.7740 22.1460 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9090 -1.2030 25.7040 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8990 0.2220 23.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2370 1.1360 23.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2700 -0.3210 24.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0460 1.5240 21.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9320 1.5240 23.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9890 0.0710 25.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3260 0.9840 24.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 6 2 0 0 0 0 3 6 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 10 2 0 0 0 0 6 9 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 11 13 2 0 0 0 0 12 13 1 0 0 0 0 M END $$$$ 828845 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 -5.5500 -27.8150 131.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2670 -26.3130 133.8070 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5430 -28.4860 134.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2390 -26.4520 131.0740 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7030 -25.6590 131.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 -29.9520 131.8520 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0010 -26.5270 133.1540 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6920 -28.0230 133.1540 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.0600 -25.9850 131.7140 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4090 -28.2810 132.3760 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8240 -26.3990 130.8950 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0930 -29.7670 132.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 1 0 0 0 M END $$$$ 828848 OpenBabel12061010053D 15 14 0 0 0 0 0 0 0 0999 V2000 93.6480 -49.2860 1.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 93.3060 -54.0540 1.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 94.7110 -53.5080 1.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 92.4720 -53.0570 0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 95.8170 -54.5830 1.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 91.9110 -51.9190 1.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 96.7380 -54.6310 2.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 91.3920 -50.7540 0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 97.6810 -53.4090 2.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 98.4340 -53.3870 4.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 91.3610 -49.4070 1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 99.4320 -52.2080 4.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 92.5520 -49.3400 2.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 100.7210 -52.5830 5.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 101.2780 -51.3470 5.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 M END $$$$ 828856 OpenBabel12061010053D 9 9 0 0 0 0 0 0 0 0999 V2000 6.9910 30.7150 28.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6890 29.5060 28.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0220 31.7260 28.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1900 30.5910 28.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4840 33.0190 28.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4180 31.5790 28.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3880 34.1410 28.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2930 32.6930 28.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7740 33.9700 28.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 4 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 8 9 1 0 0 0 0 M END $$$$ 828857 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 8.1230 -6.5450 72.5930 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8850 -5.0200 71.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5240 -7.0150 69.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0050 -5.1110 74.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3620 -8.9540 69.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9440 -2.0060 74.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6590 -3.0380 72.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6780 -4.5200 72.6530 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4960 -5.1720 71.4810 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1190 -6.6380 71.0820 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2770 -5.1710 72.9550 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6000 -6.9550 71.3160 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2580 -8.4460 71.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4300 -1.9830 73.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8120 -0.6840 72.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 8 7 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 4 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 828858 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 15.9820 -4.7490 66.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7180 -1.1740 65.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3780 -3.2530 63.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0620 -2.9310 67.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4840 -3.7430 67.6860 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3680 -6.5600 64.1190 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7680 -2.1040 65.3870 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5870 -3.3540 65.1250 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0370 -2.4640 66.6270 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7460 -4.5870 65.0300 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1450 -3.6480 66.4200 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6660 -5.7430 65.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 828879 OpenBabel12061010053D 7 6 0 0 0 0 0 0 0 0999 V2000 -2.4990 22.0160 37.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7560 21.7500 33.8810 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1110 23.9820 39.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 21.1500 36.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4830 21.7880 38.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 21.2740 35.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5260 22.9310 38.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 M END $$$$ 828890 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 14.8620 45.3590 12.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6720 45.1360 10.9870 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6100 43.5210 10.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5310 45.6520 13.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4400 47.2290 13.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2980 43.3910 12.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2810 45.5010 11.1520 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4780 44.2360 11.2510 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0510 46.3350 12.4200 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0080 44.5150 11.5260 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5810 46.5940 12.6050 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3100 43.2050 11.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 828903 OpenBabel12061010053D 26 28 0 0 0 0 0 0 0 0999 V2000 8.6310 29.2610 30.1520 S 0 0 0 0 0 0 0 0 0 0 0 0 12.6000 28.7020 29.9380 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7550 30.3850 32.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6350 28.6490 32.9770 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9600 25.5060 31.5930 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2540 25.6210 29.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7600 29.6140 29.9430 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0030 30.9300 28.6000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2880 27.7080 30.1460 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3340 28.0520 28.9100 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7840 29.9480 27.6770 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8820 24.7630 29.5590 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6440 29.1500 30.7770 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9320 28.9230 29.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0050 30.2080 31.6800 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6840 29.7470 28.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6190 29.6070 31.9230 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3170 28.9030 30.6000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8730 30.7980 29.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9510 29.2670 28.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3590 29.6080 29.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5000 27.3670 29.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2530 27.5170 29.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 26.7470 31.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2180 25.3580 30.7220 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7120 25.4690 30.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 23 1 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 5 26 2 0 0 0 0 6 26 1 0 0 0 0 7 14 1 0 0 0 0 7 19 1 0 0 0 0 8 16 1 0 0 0 0 8 19 2 0 0 0 0 9 14 2 0 0 0 0 9 22 1 0 0 0 0 10 20 1 0 0 0 0 10 22 2 0 0 0 0 11 20 1 0 0 0 0 13 7 1 6 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 3 1 1 0 0 0 15 17 1 0 0 0 0 16 20 2 0 0 0 0 17 4 1 6 0 0 0 17 18 1 0 0 0 0 18 21 1 6 0 0 0 23 24 1 0 0 0 0 25 24 1 6 0 0 0 25 12 1 0 0 0 0 25 26 1 0 0 0 0 M END $$$$ 828910 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 23.5900 55.4260 7.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3110 53.1450 10.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1730 55.9980 10.7980 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3260 58.2620 7.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7360 51.1750 6.4640 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8740 51.9830 8.3870 N 0 0 0 0 0 0 0 0 0 0 0 0 22.9820 53.5080 5.9280 N 0 0 0 0 0 0 0 0 0 0 0 0 23.6010 53.2360 8.2910 C 0 0 2 0 0 0 0 0 0 0 0 0 23.6070 53.9330 9.6610 C 0 0 2 0 0 0 0 0 0 0 0 0 24.2530 55.3190 9.5480 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9370 54.1450 7.2360 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5250 56.1240 8.4650 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1150 57.5010 8.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0330 51.0330 7.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2980 49.7200 7.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 828925 OpenBabel12061010053D 72 75 0 0 0 0 0 0 0 0999 V2000 44.6270 12.4680 52.0190 S 0 0 0 0 0 0 0 0 0 0 0 0 40.8130 13.7040 52.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 44.6790 15.0710 53.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 41.6650 11.9280 51.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 41.6920 11.1970 61.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 46.1870 14.9370 46.9070 N 0 0 0 0 0 0 0 0 0 0 0 0 39.8380 15.5100 54.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 41.0900 14.6110 53.8900 C 0 0 1 0 0 0 0 0 0 0 0 0 38.5880 14.7930 54.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 39.3820 16.2600 52.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 37.3820 15.6090 54.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 37.8960 16.5720 53.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 41.3870 13.6900 55.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 42.2820 15.5380 53.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 41.6740 14.4650 56.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 43.4330 14.6090 53.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 41.8350 12.9630 52.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 43.2360 13.4350 52.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 41.6760 13.6040 57.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 42.8870 13.1420 58.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 40.4700 13.2390 58.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 45.1890 13.2110 50.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 47.6750 12.8140 51.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.5580 13.2980 50.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 42.8890 12.3240 59.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 40.4700 12.4230 59.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 44.1950 13.7390 49.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 41.6820 11.9680 59.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 46.8660 13.8800 48.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 47.6920 13.5930 52.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 49.0390 13.0360 50.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 47.5420 11.3170 51.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 44.5250 14.3170 48.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 45.8650 14.4040 48.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 43.4670 14.9250 47.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 40.1180 16.2640 54.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 38.5390 13.7690 54.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 38.6030 14.7930 55.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 39.9510 17.1840 52.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 39.5200 15.6300 51.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 36.9600 16.1900 54.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 36.6200 14.9440 53.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 37.7850 17.6040 53.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 37.3410 16.4230 52.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 42.2540 13.0760 54.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 40.5320 13.0290 55.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 42.0200 16.1250 52.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 42.5340 16.2070 54.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 40.9210 15.2410 56.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 42.6520 14.9390 56.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 45.2920 14.3760 53.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 43.8190 13.3800 57.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 39.5330 13.5710 57.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 43.8260 11.9960 59.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 39.5390 12.1890 59.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 43.1540 13.6700 49.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 47.8930 13.9490 48.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 48.6380 13.4070 52.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 46.8700 13.2530 52.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 47.5900 14.6590 52.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 49.8230 12.6330 50.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 49.2050 14.1000 50.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 49.0550 12.5220 49.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 48.4930 10.9420 51.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 47.2850 10.7720 50.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 46.7690 11.1750 52.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 42.5090 14.7550 48.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 43.4790 14.4700 46.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 43.6510 15.9940 47.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 40.7930 11.1230 61.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 47.1290 15.0000 46.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 45.4910 15.1420 46.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 22 1 0 0 0 0 2 8 1 0 0 0 0 2 17 1 0 0 0 0 3 16 1 0 0 0 0 3 51 1 0 0 0 0 4 17 2 0 0 0 0 5 28 1 0 0 0 0 5 70 1 0 0 0 0 6 34 1 0 0 0 0 6 71 1 0 0 0 0 6 72 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 36 1 0 0 0 0 8 7 1 1 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 12 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 15 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 16 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 19 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 18 2 0 0 0 0 17 18 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 25 1 0 0 0 0 20 52 1 0 0 0 0 21 26 2 0 0 0 0 21 53 1 0 0 0 0 22 24 1 0 0 0 0 22 27 2 0 0 0 0 23 24 1 0 0 0 0 23 30 1 0 0 0 0 23 31 1 0 0 0 0 23 32 1 0 0 0 0 24 29 2 0 0 0 0 25 28 2 0 0 0 0 25 54 1 0 0 0 0 26 28 1 0 0 0 0 26 55 1 0 0 0 0 27 33 1 0 0 0 0 27 56 1 0 0 0 0 29 34 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 M END $$$$ 828927 OpenBabel12061010053D 28 31 0 0 0 0 0 0 0 0999 V2000 28.7910 35.7140 18.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9990 32.9320 22.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 29.9810 39.3830 13.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8090 39.3530 15.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 29.6480 34.0740 16.9580 C 0 0 2 0 0 0 0 0 0 0 0 0 28.3400 33.2130 17.0380 C 0 0 2 0 0 0 0 0 0 0 0 0 28.5770 32.7370 19.3840 C 0 0 1 0 0 0 0 0 0 0 0 0 28.4330 32.0910 18.0890 C 0 0 1 0 0 0 0 0 0 0 0 0 28.5870 31.6880 20.5900 C 0 0 2 0 0 0 0 0 0 0 0 0 29.8560 34.7500 18.3010 C 0 0 2 0 0 0 0 0 0 0 0 0 29.2310 34.9520 15.7480 C 0 0 2 0 0 0 0 0 0 0 0 0 29.8810 33.6500 19.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2910 30.7910 20.5690 C 0 0 2 0 0 0 0 0 0 0 0 0 28.1040 32.7750 15.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1070 31.2220 18.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6730 33.9430 14.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6730 32.3280 22.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1420 30.1210 19.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4270 35.7700 15.0050 C 0 0 1 0 0 0 0 0 0 0 0 0 30.9270 33.1780 16.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0170 31.6180 20.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9090 30.8050 20.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1690 32.1940 22.3540 C 0 0 1 0 0 0 0 0 0 0 0 0 27.4170 33.1440 22.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8640 36.4620 13.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0380 36.8120 15.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7000 37.4250 13.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1940 38.8410 14.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 3 28 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 20 1 6 0 0 0 6 8 1 0 0 0 0 6 14 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 6 0 0 0 8 15 1 1 0 0 0 9 13 1 0 0 0 0 9 17 1 0 0 0 0 9 22 1 6 0 0 0 10 1 1 1 0 0 0 10 12 1 0 0 0 0 11 16 1 6 0 0 0 11 19 1 0 0 0 0 13 18 1 6 0 0 0 13 21 1 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 17 24 1 0 0 0 0 19 25 1 1 0 0 0 19 26 1 0 0 0 0 21 23 1 0 0 0 0 23 2 1 6 0 0 0 23 24 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 M END $$$$ 828936 OpenBabel12061010053D 23 24 0 0 0 0 0 0 0 0999 V2000 80.4340 20.7210 62.0900 Br 0 0 0 0 0 0 0 0 0 0 0 0 86.8160 19.9640 56.5340 P 0 0 0 0 0 0 0 0 0 0 0 0 82.6410 21.8990 54.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 85.6350 19.8080 55.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 84.7750 22.9050 52.9710 O 0 0 0 0 0 0 0 0 0 0 0 0 80.9200 25.3110 55.5210 O 0 0 0 0 0 0 0 0 0 0 0 0 79.6750 24.4740 59.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 87.0560 18.6800 57.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 86.3930 20.9790 57.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 88.0810 20.4120 55.8610 O 0 0 0 0 0 0 0 0 0 0 0 0 81.9850 23.5340 56.5040 N 0 0 0 0 0 0 0 0 0 0 0 0 80.3360 24.8470 57.6170 N 0 0 0 0 0 0 0 0 0 0 0 0 82.8020 23.2780 55.2300 C 0 0 1 0 0 0 0 0 0 0 0 0 83.9180 21.3230 54.5010 C 0 0 1 0 0 0 0 0 0 0 0 0 84.8390 22.4930 54.3350 C 0 0 2 0 0 0 0 0 0 0 0 0 81.0780 24.5910 56.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 84.2970 23.5270 55.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 82.1410 22.7360 57.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 81.3630 22.9950 58.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 80.4160 24.1200 58.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 84.3040 20.3220 55.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 81.3480 22.4790 59.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 80.7190 21.2950 60.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 4 1 0 0 0 0 2 8 2 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 21 1 0 0 0 0 6 16 2 0 0 0 0 7 20 2 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 12 16 1 0 0 0 0 12 20 1 0 0 0 0 13 11 1 1 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 1 0 0 0 15 5 1 6 0 0 0 15 17 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 M END $$$$ 828959 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 -13.5690 45.4360 -7.0170 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7010 44.7360 -6.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3100 45.4430 -9.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5640 44.5260 -7.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9160 44.6690 -6.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5060 44.2480 -8.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3030 44.8950 -6.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8780 44.6410 -8.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1590 44.3120 -7.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0130 44.9630 -5.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9680 44.9010 -7.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2130 45.2480 -8.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 5 1 0 0 0 0 3 12 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 8 11 2 0 0 0 0 11 12 1 0 0 0 0 M END $$$$ 828969 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 37.9300 17.4340 20.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 37.7370 13.7220 22.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 36.4560 14.1250 19.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 37.8300 16.2950 23.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 39.3910 18.2140 21.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 37.1520 17.6170 17.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 38.1720 14.7390 21.2740 C 0 0 1 0 0 0 0 0 0 0 0 0 36.9900 15.2100 20.4340 C 0 0 1 0 0 0 0 0 0 0 0 0 38.7550 15.9140 22.0690 C 0 0 1 0 0 0 0 0 0 0 0 0 37.5060 16.3090 19.5170 C 0 0 1 0 0 0 0 0 0 0 0 0 39.0730 17.1110 21.1420 C 0 0 1 0 0 0 0 0 0 0 0 0 36.5120 16.8020 18.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 828982 OpenBabel12061010053D 11 11 0 0 0 0 0 0 0 0999 V2000 14.8120 12.5010 18.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5080 14.7200 15.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3480 15.5120 21.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6000 17.4060 20.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6870 14.2740 19.1700 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1470 13.6250 16.9550 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7080 15.2890 19.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9530 13.3990 18.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1490 14.6160 16.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9420 15.4750 17.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5380 16.1530 20.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 9 2 0 0 0 0 3 11 2 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 9 10 1 0 0 0 0 M END $$$$ 828990 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 10.1020 39.4230 10.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8450 39.9480 7.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9490 37.8600 7.5730 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6730 40.1930 9.7950 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3400 41.5480 10.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8340 37.4360 11.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8760 40.0060 8.1960 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5050 38.5940 8.6520 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4460 40.7780 9.3880 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5120 38.6830 9.8140 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4560 40.7640 10.5650 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0810 37.3330 10.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 6 0 0 0 M END $$$$ 828997 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 25.5870 59.1670 20.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0100 60.2090 24.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9200 58.8110 23.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9270 61.6850 22.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1650 61.1860 19.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4120 56.8650 20.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1480 59.6670 23.2320 C 0 0 1 0 0 0 0 0 0 0 0 0 26.1790 58.4780 23.1040 C 0 0 2 0 0 0 0 0 0 0 0 0 26.8400 60.7700 22.1940 C 0 0 2 0 0 0 0 0 0 0 0 0 25.9750 58.0390 21.6500 C 0 0 1 0 0 0 0 0 0 0 0 0 26.6010 60.1850 20.7880 C 0 0 1 0 0 0 0 0 0 0 0 0 24.8610 57.0130 21.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 828998 OpenBabel12061010053D 21 21 0 0 0 0 0 0 0 0999 V2000 29.0800 59.4020 25.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0100 60.2090 24.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 30.7320 63.2000 25.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 30.3950 57.2010 25.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3960 61.2220 27.6390 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6940 59.9120 27.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 32.8400 57.0140 27.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 33.1530 63.0510 26.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 30.2560 56.8040 28.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 32.1200 61.0630 26.5790 N 0 0 0 0 0 0 0 0 0 0 0 0 28.1340 60.4780 25.3610 C 0 0 2 0 0 0 0 0 0 0 0 0 30.2500 59.5800 26.0650 C 0 0 2 0 0 0 0 0 0 0 0 0 31.0040 60.8610 25.6700 C 0 0 1 0 0 0 0 0 0 0 0 0 30.0690 62.0800 25.7020 C 0 0 2 0 0 0 0 0 0 0 0 0 28.7710 61.8110 24.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1670 58.3610 25.9300 C 0 0 1 0 0 0 0 0 0 0 0 0 27.7110 60.5470 26.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9950 58.1410 27.2010 C 0 0 1 0 0 0 0 0 0 0 0 0 32.4190 62.2800 27.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0970 57.9290 28.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8060 62.7120 28.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 5 17 2 0 0 0 0 6 17 1 0 0 0 0 8 19 2 0 0 0 0 9 20 1 0 0 0 0 10 19 1 0 0 0 0 11 2 1 6 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 12 1 1 6 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 10 1 1 0 0 0 13 14 1 0 0 0 0 14 3 1 6 0 0 0 14 15 1 0 0 0 0 16 4 1 1 0 0 0 16 18 1 0 0 0 0 18 7 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 M END $$$$ 829005 OpenBabel12061010053D 28 31 0 0 0 0 0 0 0 0999 V2000 25.3290 14.4670 33.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2750 13.8900 31.8330 N 0 0 0 0 0 0 0 0 0 0 0 0 29.2180 10.4020 29.4470 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9230 19.4960 33.9780 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5870 20.9290 34.4080 N 0 0 0 0 0 0 0 0 0 0 0 0 27.2530 11.7960 31.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0590 16.6350 33.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3300 12.0620 29.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4000 17.6630 33.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3220 15.6590 33.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3510 13.3140 31.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3610 10.9610 31.6520 C 0 0 2 0 0 0 0 0 0 0 0 0 26.1880 12.3400 31.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3750 14.6370 32.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0130 15.6310 32.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2040 18.7220 33.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4950 18.7210 34.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5440 13.0830 29.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7040 17.6940 34.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6500 16.7180 34.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6060 13.7220 29.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7920 16.6790 32.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2460 11.2580 28.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8230 9.8190 30.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8770 17.7140 32.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2110 19.7350 33.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5180 10.8430 33.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9610 10.5100 33.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 26 2 0 0 0 0 5 26 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 2 0 0 0 0 7 9 1 0 0 0 0 7 15 2 0 0 0 0 7 22 1 0 0 0 0 8 18 2 0 0 0 0 8 23 1 0 0 0 0 9 17 1 0 0 0 0 9 19 2 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 20 2 0 0 0 0 11 13 1 0 0 0 0 11 21 2 0 0 0 0 12 24 1 0 0 0 0 12 27 1 1 0 0 0 16 17 2 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 22 25 2 0 0 0 0 27 28 1 0 0 0 0 M END $$$$ 829016 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 13.2290 -18.9790 47.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8690 -19.9200 43.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6850 -21.2320 44.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1960 -21.5830 48.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2560 -17.7080 43.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1660 -17.1560 44.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2700 -16.8740 47.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0480 -18.2940 45.0580 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1700 -19.3570 44.3910 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7560 -20.4790 45.3610 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4250 -17.8490 46.3830 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2560 -19.8890 46.6880 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9940 -20.9370 47.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2820 -16.9620 43.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3310 -15.7500 42.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 829022 OpenBabel12061010053D 9 8 0 0 0 0 0 0 0 0999 V2000 73.2610 57.5870 15.9470 P 0 0 0 0 0 0 0 0 0 0 0 0 72.2070 58.3760 13.0880 P 0 0 0 0 0 0 0 0 0 0 0 0 73.0070 58.3750 14.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 72.1770 58.0060 16.8610 O 0 0 0 0 0 0 0 0 0 0 0 0 70.9000 58.9720 12.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 74.5830 58.0510 16.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 73.2230 56.0830 15.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 73.0910 59.4510 12.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 72.6200 57.1170 12.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 M END $$$$ 829070 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 -12.6900 1.3400 29.8130 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.2740 2.0920 30.9900 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.6370 2.1080 29.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5480 1.0420 29.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.5720 -4.7150 30.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8170 -2.5750 29.8270 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.4700 -0.1940 30.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4390 -1.2030 29.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3030 -2.8870 31.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8360 -2.9690 28.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6510 -4.3860 31.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1050 -4.4480 28.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 M END $$$$ 829084 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 -11.2290 2.8780 12.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7740 4.8420 9.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.0260 2.3590 10.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6610 -0.4230 11.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1700 6.7120 9.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7250 5.9100 10.8810 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.4420 4.4660 12.3950 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.8780 4.5320 10.4560 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.3710 4.2180 10.2250 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.6070 2.6940 10.1370 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.2340 3.6250 11.5080 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.9910 1.9730 11.3620 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.0980 0.7940 11.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2510 6.8270 10.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1160 8.0550 9.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 829141 OpenBabel12061010053D 22 22 0 0 0 0 0 0 0 0999 V2000 41.1270 61.6320 32.5610 P 0 0 0 0 0 0 0 0 0 0 0 0 40.3070 60.1470 34.5160 P 0 0 0 0 0 0 0 0 0 0 0 0 41.6470 61.5620 25.3860 P 0 0 0 0 0 0 0 0 0 0 0 0 40.8260 60.4160 31.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 40.5080 61.2790 29.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 41.3930 60.7870 33.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 39.8770 62.4110 32.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 42.2920 62.4310 32.1190 O 0 0 0 0 0 0 0 0 0 0 0 0 38.7940 59.3120 31.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 40.2220 61.3630 26.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 41.1820 58.4860 29.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 40.9250 59.8440 35.8200 O 0 0 0 0 0 0 0 0 0 0 0 0 39.2150 61.1590 34.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 39.8440 58.8600 33.8560 O 0 0 0 0 0 0 0 0 0 0 0 0 41.4650 62.9090 24.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 41.7090 60.4690 24.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 42.7370 61.4850 26.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 39.9410 60.8140 30.4740 C 0 0 1 0 0 0 0 0 0 0 0 0 39.0570 59.7060 30.2310 C 0 0 1 0 0 0 0 0 0 0 0 0 40.5660 60.1030 28.3880 C 0 0 1 0 0 0 0 0 0 0 0 0 39.9620 58.9220 29.2080 C 0 0 1 0 0 0 0 0 0 0 0 0 39.8670 60.2450 27.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 2 6 1 0 0 0 0 2 12 2 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 10 1 0 0 0 0 3 15 2 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 5 18 1 0 0 0 0 5 20 1 0 0 0 0 10 22 1 0 0 0 0 18 4 1 6 0 0 0 18 19 1 0 0 0 0 19 9 1 1 0 0 0 19 21 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 1 0 0 0 21 11 1 1 0 0 0 M END $$$$ 829150 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 13.9600 2.2000 18.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3400 0.5040 18.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0610 -0.5930 14.5530 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6710 0.0320 12.4540 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6940 3.0160 16.1000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8070 1.9420 15.6090 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4440 1.8120 16.2830 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9940 3.3460 15.7600 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6330 4.1470 15.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6040 1.4730 17.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7930 1.7100 14.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2670 4.0640 15.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8430 0.2610 13.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0860 5.0270 14.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5830 3.5690 15.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 10 1 0 0 0 0 3 13 2 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 6 0 0 0 7 10 1 1 0 0 0 8 9 1 0 0 0 0 8 12 1 6 0 0 0 11 13 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 M END $$$$ 829155 OpenBabel12061010053D 13 13 0 0 0 0 0 0 0 0999 V2000 24.6630 16.0300 26.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2110 17.6870 24.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5270 14.2110 20.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9890 16.3770 20.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5860 17.0000 26.5330 N 0 0 0 0 0 0 0 0 0 0 0 0 22.6070 13.7670 22.9190 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9120 16.1140 24.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2160 16.9810 25.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8090 15.5360 25.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7290 15.9910 22.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4820 15.1920 22.4570 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3190 15.2630 20.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8610 14.4860 25.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 2 8 2 0 0 0 0 3 12 2 0 0 0 0 4 12 1 0 0 0 0 5 8 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 9 13 1 0 0 0 0 11 10 1 6 0 0 0 11 6 1 0 0 0 0 11 12 1 0 0 0 0 M END $$$$ 829156 OpenBabel12061010053D 13 13 0 0 0 0 0 0 0 0999 V2000 30.6200 5.7160 23.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 33.3470 7.3180 22.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 32.9490 7.4130 17.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 30.8130 7.5180 16.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 31.8020 6.5150 23.6770 N 0 0 0 0 0 0 0 0 0 0 0 0 29.7320 7.3390 19.2670 N 0 0 0 0 0 0 0 0 0 0 0 0 31.5100 6.0320 21.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2470 6.6450 22.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4960 5.4540 22.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7940 6.0900 19.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2310 7.3460 19.1950 C 0 0 1 0 0 0 0 0 0 0 0 0 31.7080 7.4210 17.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3200 4.6100 21.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 2 8 2 0 0 0 0 3 12 2 0 0 0 0 4 12 1 0 0 0 0 5 8 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 9 13 1 0 0 0 0 11 10 1 6 0 0 0 11 6 1 0 0 0 0 11 12 1 0 0 0 0 M END $$$$ 829160 OpenBabel12061010053D 6 5 0 0 0 0 0 0 0 0999 V2000 10.7860 0.1150 -0.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8280 2.3420 2.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1710 0.3310 0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7390 1.2820 1.8750 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8450 -0.3240 1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0500 0.5970 3.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 3 5 1 0 0 0 0 4 3 1 1 0 0 0 4 2 1 0 0 0 0 4 6 1 0 0 0 0 M END $$$$ 829161 OpenBabel12061010053D 6 5 0 0 0 0 0 0 0 0999 V2000 11.4130 0.5840 -0.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7860 2.3480 1.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4580 0.1630 0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8690 0.9720 1.5970 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8430 -1.1670 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6990 0.8750 2.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 3 5 1 0 0 0 0 4 3 1 6 0 0 0 4 2 1 0 0 0 0 4 6 1 0 0 0 0 M END $$$$ 829162 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 68.7940 24.1900 29.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 64.7280 24.8270 28.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 65.6000 23.2280 30.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 66.6380 26.7400 27.8180 O 0 0 0 0 0 0 0 0 0 0 0 0 68.5020 26.4030 29.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 69.0890 21.6830 29.9830 O 0 0 0 0 0 0 0 0 0 0 0 0 66.0250 24.9570 29.3270 C 0 0 1 0 0 0 0 0 0 0 0 0 66.4800 23.6080 29.9060 C 0 0 1 0 0 0 0 0 0 0 0 0 67.0130 25.4440 28.2630 C 0 0 2 0 0 0 0 0 0 0 0 0 67.9150 23.7560 30.4330 C 0 0 1 0 0 0 0 0 0 0 0 0 68.4350 25.4820 28.8430 C 0 0 2 0 0 0 0 0 0 0 0 0 68.4870 22.4710 31.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 1 0 0 0 M END $$$$ 829165 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 68.7600 24.1490 29.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 64.6080 24.7310 28.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 65.5840 23.0480 31.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 66.4000 26.3330 27.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 68.1580 26.3320 29.8010 O 0 0 0 0 0 0 0 0 0 0 0 0 69.3990 21.8040 29.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 65.9720 24.7950 29.3750 C 0 0 1 0 0 0 0 0 0 0 0 0 66.4480 23.4470 29.9260 C 0 0 1 0 0 0 0 0 0 0 0 0 66.8710 25.1520 28.2010 C 0 0 2 0 0 0 0 0 0 0 0 0 67.9050 23.6200 30.4310 C 0 0 1 0 0 0 0 0 0 0 0 0 68.2610 25.3850 28.7870 C 0 0 2 0 0 0 0 0 0 0 0 0 68.5320 22.3120 30.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 1 0 0 0 M END $$$$ 829167 OpenBabel12061010053D 11 11 0 0 0 0 0 0 0 0999 V2000 63.2300 21.1000 36.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 64.4770 20.5270 39.7930 O 0 0 0 0 0 0 0 0 0 0 0 0 64.3760 23.3020 39.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 64.2970 24.5690 37.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 62.6580 18.4340 36.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 63.7020 21.2070 38.7720 C 0 0 1 0 0 0 0 0 0 0 0 0 64.3980 22.5400 38.5290 C 0 0 1 0 0 0 0 0 0 0 0 0 63.6590 20.3490 37.5050 C 0 0 1 0 0 0 0 0 0 0 0 0 63.6960 23.2970 37.3840 C 0 0 2 0 0 0 0 0 0 0 0 0 63.8420 22.3570 36.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 62.6340 19.1730 37.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 5 11 1 0 0 0 0 6 2 1 6 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 3 1 1 0 0 0 7 9 1 0 0 0 0 8 11 1 1 0 0 0 9 4 1 6 0 0 0 9 10 1 0 0 0 0 M END $$$$ 829202 OpenBabel12061010053D 11 10 0 0 0 0 0 0 0 0999 V2000 20.7610 41.0140 7.7820 P 0 0 0 0 0 0 0 0 0 0 0 0 22.1940 40.8590 8.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0990 39.7060 7.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0940 41.2970 6.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9610 42.1920 8.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3360 41.7350 7.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3080 39.7310 7.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7430 39.3670 10.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1040 39.8340 8.2010 C 0 0 1 0 0 0 0 0 0 0 0 0 24.3430 40.4870 7.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5300 38.9390 9.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 6 10 2 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 M END $$$$ 829206 OpenBabel12061010053D 17 18 0 0 0 0 0 0 0 0999 V2000 7.2960 4.9490 34.3980 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.2340 6.1020 36.2280 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7830 12.0520 37.9840 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4340 7.5070 35.3670 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0130 9.9160 33.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8340 7.2620 35.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7820 8.5600 35.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3710 6.0080 35.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5980 9.7810 35.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7290 8.1280 36.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6700 5.5810 35.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3610 8.4390 37.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5710 6.4720 35.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9600 10.8360 35.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 10.6940 37.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0980 7.7310 36.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7230 9.4910 37.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 13 1 0 0 0 0 3 15 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 9 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 9 14 1 0 0 0 0 10 16 2 0 0 0 0 11 13 2 0 0 0 0 12 17 2 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 15 17 1 0 0 0 0 M END $$$$ 829209 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 77.7240 -7.0320 9.4650 O 0 0 0 0 0 0 0 0 0 0 0 0 81.6520 -8.3880 9.5530 O 0 0 0 0 0 0 0 0 0 0 0 0 79.5070 -10.2220 9.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 75.6980 -8.1070 10.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 82.9630 -6.1240 9.1190 O 0 0 0 0 0 0 0 0 0 0 0 0 80.9900 -6.0520 8.0450 N 0 0 0 0 0 0 0 0 0 0 0 0 78.3690 -5.0110 8.4580 N 0 0 0 0 0 0 0 0 0 0 0 0 80.0690 -6.6650 8.9770 C 0 0 2 0 0 0 0 0 0 0 0 0 80.3370 -8.1640 9.0740 C 0 0 2 0 0 0 0 0 0 0 0 0 79.3330 -8.8120 10.0200 C 0 0 1 0 0 0 0 0 0 0 0 0 78.6250 -6.4340 8.5260 C 0 0 1 0 0 0 0 0 0 0 0 0 77.8930 -8.4580 9.6070 C 0 0 1 0 0 0 0 0 0 0 0 0 76.8760 -8.8940 10.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 82.1080 -5.4930 8.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 82.3040 -4.0060 8.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 829211 OpenBabel12061010053D 22 22 0 0 0 0 0 0 0 0999 V2000 42.0210 80.4490 60.4170 P 0 0 0 0 0 0 0 0 0 0 0 0 39.6090 81.7990 59.9300 P 0 0 0 0 0 0 0 0 0 0 0 0 48.7500 80.0170 65.2380 P 0 0 0 0 0 0 0 0 0 0 0 0 43.1170 80.8970 61.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 41.1850 81.8130 60.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 41.1290 79.4030 61.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 42.7360 80.1520 59.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 45.2990 78.4750 60.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 48.1220 81.1710 64.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 46.9030 78.4330 62.5120 O 0 0 0 0 0 0 0 0 0 0 0 0 39.4620 80.7780 58.8320 O 0 0 0 0 0 0 0 0 0 0 0 0 38.9720 81.3990 61.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 39.3440 83.2190 59.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 47.5770 79.5280 66.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 49.3110 79.0130 64.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 49.7930 80.7280 66.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 44.4920 80.6140 61.2920 C 0 0 2 0 0 0 0 0 0 0 0 0 44.7570 79.1670 61.6740 C 0 0 2 0 0 0 0 0 0 0 0 0 46.0880 80.6160 63.1540 C 0 0 2 0 0 0 0 0 0 0 0 0 45.7350 79.1690 62.8400 C 0 0 2 0 0 0 0 0 0 0 0 0 45.3350 81.5130 62.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 47.5820 80.8690 63.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 2 11 2 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 9 1 0 0 0 0 3 14 2 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 9 22 1 0 0 0 0 17 4 1 1 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 8 1 6 0 0 0 18 20 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 6 0 0 0 20 10 1 6 0 0 0 M END $$$$ 829218 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 26.8710 24.8580 24.9150 P 0 0 0 0 0 0 0 0 0 0 0 0 25.9030 24.6030 26.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1530 23.0820 30.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0370 25.5970 23.9660 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9340 25.8390 25.4810 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5550 23.6000 24.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6630 25.7020 30.2110 N 0 0 0 0 0 0 0 0 0 0 0 0 22.8250 21.3880 28.1490 N 0 0 0 0 0 0 0 0 0 0 0 0 25.3290 24.2040 28.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2010 23.4310 28.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3120 23.8190 29.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5610 24.9610 30.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3370 23.9060 27.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5300 25.3300 29.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8540 22.2080 27.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6310 25.4090 31.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 M END $$$$ 829247 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 49.8160 52.9070 98.1940 P 0 0 0 0 0 0 0 0 0 0 0 0 48.5270 55.0490 99.7320 P 0 0 0 0 0 0 0 0 0 0 0 0 53.6020 50.7380 99.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 51.1310 52.0850 98.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 49.6880 53.9220 99.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 53.1180 48.7780 96.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 54.4080 51.1160 96.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 50.0160 53.7090 96.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 48.6110 51.9650 98.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 48.2290 54.7980 101.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 49.2240 56.3730 99.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 47.3160 54.8120 98.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 52.5900 48.6890 99.3560 N 0 0 0 0 0 0 0 0 0 0 0 0 51.0730 48.1270 100.8710 N 0 0 0 0 0 0 0 0 0 0 0 0 54.0880 46.8490 99.7500 N 0 0 0 0 0 0 0 0 0 0 0 0 53.4180 45.3470 101.5110 N 0 0 0 0 0 0 0 0 0 0 0 0 51.4740 45.7750 102.6460 N 0 0 0 0 0 0 0 0 0 0 0 0 53.3340 49.4560 98.3480 C 0 0 1 0 0 0 0 0 0 0 0 0 52.9850 47.6060 100.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.6720 49.7830 97.0690 C 0 0 1 0 0 0 0 0 0 0 0 0 53.4840 51.8080 98.0860 C 0 0 1 0 0 0 0 0 0 0 0 0 53.1820 51.1870 96.7260 C 0 0 1 0 0 0 0 0 0 0 0 0 52.0780 47.2590 100.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 51.4280 49.0340 99.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 52.3840 52.7730 98.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 52.3100 46.0580 101.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 54.3970 45.6800 100.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 18 13 1 1 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 6 1 6 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 1 0 0 0 22 7 1 1 0 0 0 23 26 2 0 0 0 0 M END $$$$ 829248 OpenBabel12061010053D 16 17 0 0 0 0 0 0 0 0999 V2000 48.6830 64.0880 98.4240 O 0 0 0 0 0 0 0 0 0 0 0 0 51.6550 63.1590 98.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 49.1170 66.9720 101.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 47.8230 61.3010 99.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 47.9440 65.1490 100.4110 N 0 0 0 0 0 0 0 0 0 0 0 0 46.9620 66.9420 101.5930 N 0 0 0 0 0 0 0 0 0 0 0 0 44.7360 66.9750 102.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 49.1320 64.5590 99.7370 C 0 0 1 0 0 0 0 0 0 0 0 0 49.3510 62.8870 98.0350 C 0 0 1 0 0 0 0 0 0 0 0 0 50.3790 62.6270 99.1750 C 0 0 2 0 0 0 0 0 0 0 0 0 48.0330 66.3250 101.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 49.8400 63.4010 100.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 46.7690 64.5970 100.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 45.8300 66.3150 101.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 45.7380 65.1560 100.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 48.4300 61.7200 97.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 3 11 2 0 0 0 0 4 16 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 6 11 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 8 5 1 1 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 1 0 0 0 10 2 1 6 0 0 0 10 12 1 0 0 0 0 13 15 2 0 0 0 0 14 15 1 0 0 0 0 M END $$$$ 829252 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 75.5420 44.9930 20.3680 P 0 0 0 0 0 0 0 0 0 0 0 0 73.4680 43.3480 19.1000 P 0 0 0 0 0 0 0 0 0 0 0 0 79.9860 45.1960 19.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 77.1060 45.1440 19.9030 O 0 0 0 0 0 0 0 0 0 0 0 0 74.9450 44.0530 19.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 80.2600 47.7980 21.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 80.9300 45.1460 22.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 74.9390 46.3330 20.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 75.5010 44.2290 21.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 72.5430 44.0990 19.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 73.7210 41.8960 19.4650 O 0 0 0 0 0 0 0 0 0 0 0 0 73.0960 43.5620 17.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 79.7300 47.3930 18.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 78.4490 48.1550 16.7320 N 0 0 0 0 0 0 0 0 0 0 0 0 81.7380 48.5040 17.7010 N 0 0 0 0 0 0 0 0 0 0 0 0 81.5530 49.8910 15.7360 N 0 0 0 0 0 0 0 0 0 0 0 0 79.5470 50.0120 14.6330 N 0 0 0 0 0 0 0 0 0 0 0 0 80.2080 46.5710 19.5410 C 0 0 1 0 0 0 0 0 0 0 0 0 80.4430 48.1750 17.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 79.5440 46.7630 20.8950 C 0 0 1 0 0 0 0 0 0 0 0 0 79.4380 44.4490 20.2600 C 0 0 1 0 0 0 0 0 0 0 0 0 79.6160 45.3670 21.4920 C 0 0 1 0 0 0 0 0 0 0 0 0 79.6800 48.6950 16.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 78.4920 47.3540 17.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 78.0160 44.0340 19.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 80.2730 49.5710 15.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 82.4020 49.3880 16.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 1 0 0 0 0 15 27 2 0 0 0 0 16 26 2 0 0 0 0 16 27 1 0 0 0 0 17 26 1 0 0 0 0 18 13 1 6 0 0 0 18 20 1 0 0 0 0 19 23 2 0 0 0 0 20 6 1 1 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 6 0 0 0 22 7 1 6 0 0 0 23 26 1 0 0 0 0 M END $$$$ 829261 OpenBabel12061010053D 17 18 0 0 0 0 0 0 0 0999 V2000 6.8400 1.6740 31.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5700 2.1190 36.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1570 5.6840 36.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 2.4920 34.3680 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0430 2.5610 33.9080 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7550 3.0430 35.8000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1020 1.8940 31.9080 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4130 2.0940 32.0410 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6900 2.3720 33.7700 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8140 2.6670 34.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7690 1.9620 32.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3280 3.5020 35.5320 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2080 2.1860 32.6160 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9270 3.4170 36.1790 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4730 3.1630 36.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7620 4.4070 37.3700 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3510 4.4770 37.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 10 2 0 0 0 0 6 15 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 9 4 1 6 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 12 4 1 1 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 8 1 1 0 0 0 14 2 1 1 0 0 0 14 16 1 0 0 0 0 16 3 1 6 0 0 0 16 17 1 0 0 0 0 M END $$$$ 829267 OpenBabel12061010053D 17 18 0 0 0 0 0 0 0 0999 V2000 6.8300 1.6900 31.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5050 2.1570 36.4650 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1310 5.7150 36.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3360 2.5610 34.2800 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0450 2.5320 33.9010 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7340 3.0840 35.7560 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0970 1.8480 31.8920 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4130 1.9930 32.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6840 2.4030 33.7150 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8090 2.6800 34.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7690 1.9630 32.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2970 3.5560 35.4500 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2130 2.1280 32.6180 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8870 3.4670 36.0620 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4340 3.2430 36.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7040 4.4220 37.2780 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2830 4.4860 37.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 10 2 0 0 0 0 6 15 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 9 4 1 6 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 12 4 1 1 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 8 1 1 0 0 0 14 2 1 1 0 0 0 14 16 1 0 0 0 0 16 3 1 6 0 0 0 16 17 1 0 0 0 0 M END $$$$ 829269 OpenBabel12061010053D 12 11 0 0 0 0 0 0 0 0999 V2000 -1.6260 2.1310 24.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5460 2.8130 22.8780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 4.1310 21.9310 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 -0.1230 21.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 3.3120 24.4540 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2810 -1.0540 21.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 2.4050 23.3930 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3770 2.1090 22.4230 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7760 3.9010 23.2600 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6730 0.5840 22.3780 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3070 4.3180 24.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8130 0.2870 21.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 7 1 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 2 1 1 0 0 0 8 10 1 0 0 0 0 9 3 1 6 0 0 0 9 11 1 0 0 0 0 10 4 1 6 0 0 0 10 12 1 0 0 0 0 M END $$$$ 829271 OpenBabel12061010053D 17 18 0 0 0 0 0 0 0 0999 V2000 6.8170 1.6210 31.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 2.1110 36.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1550 5.6770 36.6600 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3480 2.5020 34.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0520 2.4990 33.7300 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7650 3.0390 35.6130 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0830 1.8050 31.7260 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4020 1.9800 31.8670 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6910 2.3510 33.5820 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8240 2.6370 34.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7600 1.9060 32.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3230 3.4990 35.3310 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2030 2.0950 32.4460 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9020 3.4150 35.9550 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4660 3.1910 36.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7360 4.3820 37.1550 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2990 4.4320 37.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 10 2 0 0 0 0 6 15 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 9 4 1 1 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 12 4 1 1 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 8 1 6 0 0 0 14 2 1 1 0 0 0 14 16 1 0 0 0 0 16 3 1 6 0 0 0 16 17 1 0 0 0 0 M END $$$$ 829283 OpenBabel12061010053D 17 18 0 0 0 0 0 0 0 0999 V2000 10.5450 14.6890 41.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3120 15.4320 46.7080 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2460 12.4320 47.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8520 14.1260 44.1790 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2960 11.7200 42.9220 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1630 12.0030 45.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9930 13.0430 41.1590 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4230 11.4250 40.7630 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9320 13.4060 43.2970 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1440 12.3780 43.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8950 13.7930 41.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2760 13.3070 45.4150 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2180 12.0410 41.6100 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0520 14.2740 46.3400 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0410 12.6640 46.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5450 13.5930 47.6400 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4680 14.4720 48.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 10 2 0 0 0 0 6 15 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 9 4 1 6 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 12 4 1 1 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 8 1 1 0 0 0 14 2 1 1 0 0 0 14 16 1 0 0 0 0 16 3 1 6 0 0 0 16 17 1 0 0 0 0 M END $$$$ 829287 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 50.9220 17.3840 -16.2910 S 0 0 0 0 0 0 0 0 0 0 0 0 51.1810 18.9660 -11.0670 S 0 0 0 0 0 0 0 0 0 0 0 0 49.1440 18.5060 -12.7650 O 0 0 0 0 0 0 0 0 0 0 0 0 51.8440 15.5620 -14.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 51.4000 16.0000 -11.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 47.7700 18.5060 -15.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 51.3250 16.7850 -13.5480 C 0 0 1 0 0 0 0 0 0 0 0 0 50.3540 17.3840 -14.5520 C 0 0 1 0 0 0 0 0 0 0 0 0 50.5410 16.5380 -12.2480 C 0 0 2 0 0 0 0 0 0 0 0 0 49.8550 18.7290 -14.0120 C 0 0 1 0 0 0 0 0 0 0 0 0 49.9350 17.8580 -11.7430 C 0 0 1 0 0 0 0 0 0 0 0 0 48.8660 19.3780 -14.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 6 12 1 0 0 0 0 7 4 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 1 1 6 0 0 0 8 10 1 0 0 0 0 9 5 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 2 1 6 0 0 0 M END $$$$ 829290 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 28.7730 8.1000 41.5670 P 0 0 0 0 0 0 0 0 0 0 0 0 29.3500 10.8570 41.9150 P 0 0 0 0 0 0 0 0 0 0 0 0 29.3130 6.0270 37.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 28.9130 7.3330 40.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4370 9.4820 41.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0660 3.1530 39.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4750 4.9270 37.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 29.5990 7.3490 42.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3110 8.3920 41.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2840 10.5530 43.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1350 11.6820 41.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 30.6100 11.5920 41.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 30.8560 4.5850 38.6110 N 0 0 0 0 0 0 0 0 0 0 0 0 32.6310 4.7630 39.8550 N 0 0 0 0 0 0 0 0 0 0 0 0 31.9090 3.4210 36.7270 N 0 0 0 0 0 0 0 0 0 0 0 0 34.3480 2.9940 37.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 35.3070 3.6870 38.9830 N 0 0 0 0 0 0 0 0 0 0 0 0 29.4810 4.6950 38.1110 C 0 0 1 0 0 0 0 0 0 0 0 0 31.8570 4.0210 37.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4780 4.5150 39.2350 C 0 0 1 0 0 0 0 0 0 0 0 0 28.0940 6.6110 38.0800 C 0 0 1 0 0 0 0 0 0 0 0 0 27.3770 5.4990 38.8260 C 0 0 1 0 0 0 0 0 0 0 0 0 32.9850 4.1330 38.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3180 5.0520 39.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3640 7.8280 38.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2830 3.5910 38.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1590 2.8710 36.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 18 13 1 1 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 6 1 6 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 1 0 0 0 22 7 1 6 0 0 0 23 26 2 0 0 0 0 M END $$$$ 829298 OpenBabel12061010053D 13 13 0 0 0 0 0 0 0 0999 V2000 23.3860 10.9700 42.3120 S 0 0 0 0 0 0 0 0 0 0 0 0 23.3540 12.1140 41.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6840 9.8000 41.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7600 11.3500 43.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9000 11.6940 44.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 25.0930 10.5880 42.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4370 12.8260 44.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5410 11.7370 43.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3850 13.5980 43.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0040 12.2820 46.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6900 14.0810 44.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2700 12.9470 46.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5310 14.2840 45.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 13 1 0 0 0 0 M END $$$$ 829311 OpenBabel12061010053D 12 13 0 0 0 0 0 0 0 0999 V2000 16.4160 13.7110 41.9710 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9330 15.0550 39.8370 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6660 12.9610 42.0410 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8930 13.7200 41.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3580 11.7340 41.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8500 14.4730 40.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3240 12.7500 42.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1410 13.5740 42.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8450 11.4820 41.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2670 14.1660 41.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3180 14.8210 42.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1210 14.8940 40.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 6 2 0 0 0 0 2 12 1 0 0 0 0 3 4 1 6 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 2 0 0 0 0 5 9 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 10 12 2 0 0 0 0 M END $$$$ 829332 OpenBabel12061010053D 13 12 0 0 0 0 0 0 0 0999 V2000 -66.3760 -83.0710 -0.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 -64.9730 -81.0920 -3.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 -65.0120 -80.3630 -1.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 -67.0410 -83.4970 -3.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 -65.1600 -84.4020 -4.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -61.3790 -83.6950 -0.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 -63.0120 -84.7450 0.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 -64.1930 -82.6190 -1.8480 C 0 0 1 0 0 0 0 0 0 0 0 0 -65.3330 -83.5930 -1.7680 C 0 0 2 0 0 0 0 0 0 0 0 0 -64.7650 -81.2340 -2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -65.8890 -83.8560 -3.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -63.4740 -82.5410 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -62.5620 -83.7340 -0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 2 10 2 0 0 0 0 3 10 1 0 0 0 0 4 11 2 0 0 0 0 5 11 1 0 0 0 0 6 13 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 1 0 0 0 8 12 1 0 0 0 0 9 1 1 6 0 0 0 9 11 1 0 0 0 0 12 13 1 0 0 0 0 M END $$$$ 829351 OpenBabel12061010053D 23 25 0 0 0 0 0 0 0 0999 V2000 32.1690 26.6490 24.8270 P 0 0 0 0 0 0 0 0 0 0 0 0 27.9290 27.1530 22.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5990 26.8180 24.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7420 26.2500 25.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 30.5940 26.9340 24.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 32.5980 27.3370 26.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 32.9920 27.1450 23.6290 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9120 25.1430 21.3430 N 0 0 0 0 0 0 0 0 0 0 0 0 27.8570 23.3990 20.3160 N 0 0 0 0 0 0 0 0 0 0 0 0 24.6110 24.1620 21.4310 N 0 0 0 0 0 0 0 0 0 0 0 0 24.4190 21.9750 20.4300 N 0 0 0 0 0 0 0 0 0 0 0 0 26.3880 20.9930 19.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 32.2240 25.0070 24.5210 N 0 0 0 0 0 0 0 0 0 0 0 0 26.7180 26.4200 22.0540 C 0 0 1 0 0 0 0 0 0 0 0 0 25.9380 24.1940 21.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4450 25.9550 23.4760 C 0 0 1 0 0 0 0 0 0 0 0 0 27.8020 25.9820 24.1280 C 0 0 1 0 0 0 0 0 0 0 0 0 28.5270 27.0860 23.3960 C 0 0 1 0 0 0 0 0 0 0 0 0 26.5490 23.1130 20.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0890 24.6280 20.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7830 22.0040 20.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0070 26.7560 23.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8540 23.0520 21.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 14 1 0 0 0 0 2 18 1 0 0 0 0 5 22 1 0 0 0 0 8 15 1 0 0 0 0 8 20 1 0 0 0 0 9 19 1 0 0 0 0 9 20 2 0 0 0 0 10 15 2 0 0 0 0 10 23 1 0 0 0 0 11 21 1 0 0 0 0 11 23 2 0 0 0 0 12 21 1 0 0 0 0 14 8 1 1 0 0 0 14 16 1 0 0 0 0 15 19 1 0 0 0 0 16 3 1 1 0 0 0 16 17 1 0 0 0 0 17 4 1 1 0 0 0 17 18 1 0 0 0 0 18 22 1 6 0 0 0 19 21 2 0 0 0 0 M END $$$$ 829364 OpenBabel12061010053D 5 4 0 0 0 0 0 0 0 0999 V2000 -3.5580 8.3100 8.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 6.5270 9.6420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1090 9.5120 11.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0350 7.7250 9.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9900 8.3590 11.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 M END $$$$ 829388 OpenBabel12061010053D 7 6 0 0 0 0 0 0 0 0999 V2000 22.9860 38.8950 39.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4230 41.0780 39.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7150 39.8770 42.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1060 41.7630 40.4690 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2840 40.3230 40.1650 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6940 40.0620 39.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9860 39.4720 41.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 5 4 1 1 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 M END $$$$ 829425 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 31.7830 -41.6950 -17.0300 P 0 0 0 0 0 0 0 0 0 0 0 0 32.2870 -44.1390 -18.3270 P 0 0 0 0 0 0 0 0 0 0 0 0 27.5340 -41.4970 -14.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 30.2110 -41.9660 -16.9750 O 0 0 0 0 0 0 0 0 0 0 0 0 32.4430 -43.1660 -17.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9570 -42.4520 -16.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1730 -43.4020 -17.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 32.2290 -40.9760 -15.7930 O 0 0 0 0 0 0 0 0 0 0 0 0 32.0940 -41.0620 -18.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 31.5310 -43.4930 -19.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 31.6970 -45.4250 -17.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.6450 -44.5620 -18.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9200 -39.6870 -15.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 25.6170 -37.5610 -15.4580 N 0 0 0 0 0 0 0 0 0 0 0 0 24.5450 -39.8530 -13.0310 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5730 -37.7870 -12.3210 N 0 0 0 0 0 0 0 0 0 0 0 0 23.7380 -35.9040 -13.6280 N 0 0 0 0 0 0 0 0 0 0 0 0 26.2460 -41.1040 -15.1310 C 0 0 1 0 0 0 0 0 0 0 0 0 25.0970 -39.2220 -14.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0130 -41.5150 -16.5690 C 0 0 1 0 0 0 0 0 0 0 0 0 28.1380 -42.3200 -15.6350 C 0 0 1 0 0 0 0 0 0 0 0 0 27.3610 -42.1110 -16.9430 C 0 0 1 0 0 0 0 0 0 0 0 0 24.9160 -37.8750 -14.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2180 -38.6740 -15.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6390 -41.9900 -15.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1340 -37.1580 -13.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7830 -39.1380 -12.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 1 0 0 0 0 15 27 2 0 0 0 0 16 26 2 0 0 0 0 16 27 1 0 0 0 0 17 26 1 0 0 0 0 18 13 1 6 0 0 0 18 20 1 0 0 0 0 19 23 2 0 0 0 0 20 6 1 1 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 6 0 0 0 22 7 1 1 0 0 0 23 26 1 0 0 0 0 M END $$$$ 829452 OpenBabel12061010053D 14 14 0 0 0 0 0 0 0 0999 V2000 35.1600 42.2280 -6.1820 P 0 0 0 0 0 0 0 0 0 0 0 0 36.1080 39.0320 -6.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.2500 43.3950 -6.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 36.5230 42.5060 -6.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 35.4110 41.8120 -4.5260 N 0 0 0 0 0 0 0 0 0 0 0 0 37.0190 38.1120 -6.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3830 40.8120 -6.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 35.3450 39.7010 -7.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 38.1400 38.2220 -5.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 37.0700 37.3420 -7.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 39.4160 36.6180 -7.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 39.2630 37.4650 -6.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 38.2590 36.5530 -8.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 40.5610 35.8540 -7.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 M END $$$$ 829461 OpenBabel12061010053D 26 28 0 0 0 0 0 0 0 0999 V2000 26.7730 12.6020 -1.9490 S 0 0 0 0 0 0 0 0 0 0 0 0 24.9990 14.7340 -3.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7000 17.0420 -5.3920 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5820 17.2290 -3.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9400 10.2230 -6.9270 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0310 10.0860 -6.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2560 16.1280 -2.8090 N 0 0 0 0 0 0 0 0 0 0 0 0 22.0030 15.8030 -0.9720 N 0 0 0 0 0 0 0 0 0 0 0 0 22.5060 18.3680 -3.4070 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8750 19.2150 -1.8580 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1040 18.0410 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 22.9340 11.5790 -4.6930 N 0 0 0 0 0 0 0 0 0 0 0 0 24.2430 15.8710 -3.8650 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5060 17.2680 -2.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2420 17.0200 -4.0510 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7490 17.0580 -1.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3290 16.6280 -3.0610 C 0 0 1 0 0 0 0 0 0 0 0 0 26.3780 15.1160 -3.2200 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8950 15.2910 -1.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8950 18.0970 -1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8780 14.3800 -1.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6620 19.2740 -2.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1030 12.2130 -2.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0060 11.0790 -3.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3710 11.4870 -4.8830 C 0 0 1 0 0 0 0 0 0 0 0 0 24.7980 10.5200 -5.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 23 1 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 5 26 2 0 0 0 0 6 26 1 0 0 0 0 7 14 1 0 0 0 0 7 19 1 0 0 0 0 8 16 1 0 0 0 0 8 19 2 0 0 0 0 9 14 2 0 0 0 0 9 22 1 0 0 0 0 10 20 1 0 0 0 0 10 22 2 0 0 0 0 11 20 1 0 0 0 0 13 7 1 1 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 3 1 6 0 0 0 15 17 1 0 0 0 0 16 20 2 0 0 0 0 17 4 1 6 0 0 0 17 18 1 0 0 0 0 18 21 1 1 0 0 0 23 24 1 0 0 0 0 25 24 1 1 0 0 0 25 12 1 0 0 0 0 25 26 1 0 0 0 0 M END $$$$ 829469 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 68.8070 65.0240 25.2740 S 0 0 0 0 0 0 0 0 0 0 0 0 67.6510 65.0890 24.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 70.1610 65.1280 24.6870 O 0 0 0 0 0 0 0 0 0 0 0 0 68.8820 63.6340 24.9060 O 0 0 0 0 0 0 0 0 0 0 0 0 69.3960 59.8800 33.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 70.1160 63.7380 28.9900 N 0 0 0 0 0 0 0 0 0 0 0 0 70.6550 61.4980 30.7810 N 0 0 0 0 0 0 0 0 0 0 0 0 68.6970 64.2770 26.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 70.0910 64.3470 27.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 69.1370 62.5730 29.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 71.5450 63.2170 29.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 69.2890 62.0550 30.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 71.6720 62.5870 30.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 70.8900 60.9480 32.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 69.9420 59.8110 32.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 M END $$$$ 829496 OpenBabel12061010053D 26 28 0 0 0 0 0 0 0 0999 V2000 46.3240 147.7160 44.8040 P 0 0 0 0 0 0 0 0 0 0 0 0 42.4740 147.0110 46.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 41.2070 144.7740 48.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 43.2270 143.3670 47.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 45.2080 147.1450 45.8460 O 0 0 0 0 0 0 0 0 0 0 0 0 45.5690 148.1320 43.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 47.2080 146.5540 44.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 46.9790 148.8560 45.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 40.2360 146.9320 45.7790 N 0 0 0 0 0 0 0 0 0 0 0 0 39.6600 147.5830 43.5850 N 0 0 0 0 0 0 0 0 0 0 0 0 38.0390 146.6000 46.7290 N 0 0 0 0 0 0 0 0 0 0 0 0 36.2910 147.0500 45.1450 N 0 0 0 0 0 0 0 0 0 0 0 0 36.7330 147.7700 42.8300 N 0 0 0 0 0 0 0 0 0 0 0 0 41.1050 146.5950 46.9570 C 0 0 1 0 0 0 0 0 0 0 0 0 38.8800 146.9190 45.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 41.1470 145.0010 47.2020 C 0 0 1 0 0 0 0 0 0 0 0 0 38.5410 147.3260 44.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 42.4490 144.4980 46.4080 C 0 0 1 0 0 0 0 0 0 0 0 0 43.3880 145.8500 46.6110 C 0 0 1 0 0 0 0 0 0 0 0 0 40.6360 147.3280 44.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1470 147.3860 44.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 44.3750 146.0310 45.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7360 146.6790 46.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 44.7190 149.3320 43.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 43.7980 149.4270 42.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 43.3260 148.0670 41.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 2 14 1 0 0 0 0 2 19 1 0 0 0 0 5 22 1 0 0 0 0 6 24 1 0 0 0 0 9 15 1 0 0 0 0 9 20 1 0 0 0 0 10 17 1 0 0 0 0 10 20 2 0 0 0 0 11 15 1 0 0 0 0 11 23 2 0 0 0 0 12 21 2 0 0 0 0 12 23 1 0 0 0 0 13 21 1 0 0 0 0 14 9 1 6 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 16 3 1 1 0 0 0 16 18 1 0 0 0 0 17 21 1 0 0 0 0 18 4 1 1 0 0 0 18 19 1 0 0 0 0 19 22 1 6 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 M END $$$$ 829498 OpenBabel12061010053D 26 28 0 0 0 0 0 0 0 0999 V2000 46.5890 147.5390 44.5960 P 0 0 0 0 0 0 0 0 0 0 0 0 42.7070 147.0030 46.5120 O 0 0 0 0 0 0 0 0 0 0 0 0 41.4760 144.7980 48.4920 O 0 0 0 0 0 0 0 0 0 0 0 0 43.4090 143.3480 46.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 45.4720 147.0930 45.6870 O 0 0 0 0 0 0 0 0 0 0 0 0 45.8120 147.8610 43.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 47.4320 146.3390 44.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 47.2940 148.7100 45.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 40.4700 146.8990 45.6340 N 0 0 0 0 0 0 0 0 0 0 0 0 39.8490 147.5330 43.4460 N 0 0 0 0 0 0 0 0 0 0 0 0 38.3030 146.4700 46.6100 N 0 0 0 0 0 0 0 0 0 0 0 0 36.5290 146.8560 45.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 36.9090 147.5980 42.7330 N 0 0 0 0 0 0 0 0 0 0 0 0 41.3400 146.5980 46.8100 C 0 0 1 0 0 0 0 0 0 0 0 0 39.1160 146.8350 45.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 41.3750 145.0110 47.0910 C 0 0 1 0 0 0 0 0 0 0 0 0 38.7560 147.2230 44.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 42.6410 144.4980 46.2630 C 0 0 1 0 0 0 0 0 0 0 0 0 43.6030 145.8280 46.4810 C 0 0 1 0 0 0 0 0 0 0 0 0 40.8440 147.3150 44.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 37.3530 147.2310 43.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 44.6150 145.9680 45.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 36.9990 146.5030 46.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 44.9320 149.0260 43.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 44.2090 149.1600 41.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 43.2900 147.9920 41.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 2 14 1 0 0 0 0 2 19 1 0 0 0 0 5 22 1 0 0 0 0 6 24 1 0 0 0 0 9 15 1 0 0 0 0 9 20 1 0 0 0 0 10 17 1 0 0 0 0 10 20 2 0 0 0 0 11 15 1 0 0 0 0 11 23 2 0 0 0 0 12 21 2 0 0 0 0 12 23 1 0 0 0 0 13 21 1 0 0 0 0 14 9 1 6 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 16 3 1 1 0 0 0 16 18 1 0 0 0 0 17 21 1 0 0 0 0 18 4 1 1 0 0 0 18 19 1 0 0 0 0 19 22 1 6 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 M END $$$$ 829519 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 7.7630 -22.0830 1.9650 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4910 -23.1630 2.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8500 -22.2180 0.8340 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8060 -21.3920 3.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4040 -16.7530 -5.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2290 -20.1660 -0.5880 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6350 -18.7670 -2.6150 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9680 -20.7660 1.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0340 -20.7560 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4980 -20.9020 -1.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1260 -18.6670 -0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6450 -20.2670 -2.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4390 -18.1140 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8120 -18.1950 -3.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3280 -17.3060 -4.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 M END $$$$ 829598 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 -4.0020 10.3940 27.6810 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 9.9630 28.3670 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8910 10.9400 26.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3030 9.9930 27.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1670 14.5410 32.8310 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5320 12.9420 30.8750 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2100 11.9540 28.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3600 11.6190 30.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5110 12.5200 32.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2550 13.6870 30.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3810 13.8590 33.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0280 14.8850 31.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 M END $$$$ 829599 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 -1.3100 -1.9140 2.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9700 -2.3190 4.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -4.7840 1.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5610 -1.5190 8.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 -1.8680 2.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 -2.8780 3.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 -2.3250 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0590 -2.5060 6.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -3.7850 0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7570 -1.2580 6.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 M END $$$$ 829606 OpenBabel12061010053D 19 21 0 0 0 0 0 0 0 0999 V2000 93.7410 66.7850 20.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 92.1110 64.7220 22.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 94.6640 64.1840 21.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 94.5940 66.7230 17.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 91.3690 67.2470 19.7910 N 0 0 0 0 0 0 0 0 0 0 0 0 90.2810 69.0210 18.8560 N 0 0 0 0 0 0 0 0 0 0 0 0 89.8030 65.4710 18.8650 N 0 0 0 0 0 0 0 0 0 0 0 0 88.0410 66.4860 17.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 87.8230 68.7820 17.1380 N 0 0 0 0 0 0 0 0 0 0 0 0 92.4040 66.4940 20.5890 C 0 0 1 0 0 0 0 0 0 0 0 0 90.2470 66.7670 19.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 92.3610 64.9620 20.7110 C 0 0 1 0 0 0 0 0 0 0 0 0 89.6380 67.8770 18.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 93.7480 64.4400 20.2460 C 0 0 1 0 0 0 0 0 0 0 0 0 94.2990 65.6170 19.4660 C 0 0 1 0 0 0 0 0 0 0 0 0 91.3370 68.6380 19.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 88.4810 67.7690 17.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 94.0430 65.5750 17.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 88.6910 65.4380 18.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 4 18 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 6 13 1 0 0 0 0 6 16 2 0 0 0 0 7 11 2 0 0 0 0 7 19 1 0 0 0 0 8 17 1 0 0 0 0 8 19 2 0 0 0 0 9 17 1 0 0 0 0 10 5 1 6 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 2 1 1 0 0 0 12 14 1 0 0 0 0 13 17 2 0 0 0 0 14 3 1 1 0 0 0 14 15 1 0 0 0 0 15 18 1 6 0 0 0 M END $$$$ 829613 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 23.8150 25.0470 26.6140 P 0 0 0 0 0 0 0 0 0 0 0 0 24.0900 26.5680 24.2870 P 0 0 0 0 0 0 0 0 0 0 0 0 22.1950 27.0940 30.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2220 25.7900 27.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2150 26.0060 25.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1280 27.6730 32.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7730 27.1290 30.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2210 23.6950 26.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3680 25.0520 26.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3160 27.7260 23.7830 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1460 25.4830 23.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4960 26.9290 24.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8790 25.0520 31.2050 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2390 23.0790 30.4330 N 0 0 0 0 0 0 0 0 0 0 0 0 21.1980 24.6650 33.5480 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1930 22.5240 33.9580 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1590 20.9370 32.2340 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4020 26.4260 31.2900 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3540 24.3510 32.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8890 26.4900 31.5580 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4200 27.4740 29.4660 C 0 0 1 0 0 0 0 0 0 0 0 0 24.4610 26.6070 30.1660 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9540 23.1150 31.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7920 24.2630 30.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3320 27.1840 27.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3710 22.1880 32.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6130 23.7600 34.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 1 0 0 0 0 15 27 2 0 0 0 0 16 26 2 0 0 0 0 16 27 1 0 0 0 0 17 26 1 0 0 0 0 18 13 1 6 0 0 0 18 20 1 0 0 0 0 19 23 2 0 0 0 0 20 6 1 6 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 6 0 0 0 22 7 1 1 0 0 0 23 26 1 0 0 0 0 M END $$$$ 829645 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 -0.3440 26.5340 -19.8820 P 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 27.8510 -20.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5130 28.8510 -21.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 26.2770 -18.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 25.3680 -20.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 26.8090 -20.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7790 31.1670 -22.2350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 26.6760 -20.5690 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 29.0110 -21.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1740 28.4820 -21.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2770 29.3570 -21.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0610 30.7360 -22.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 28.1520 -21.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7030 30.3570 -22.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 27.0030 -21.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1710 31.7290 -22.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 M END $$$$ 829657 OpenBabel12061010053D 25 26 0 0 0 0 0 0 0 0999 V2000 42.1650 79.5550 27.8400 P 0 0 0 0 0 0 0 0 0 0 0 0 44.5140 80.6260 26.2310 P 0 0 0 0 0 0 0 0 0 0 0 0 39.3550 77.9720 24.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 41.2170 78.8870 26.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 43.2010 80.6470 27.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.3120 80.3800 28.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 42.9760 78.4750 28.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 37.6450 78.2680 27.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 36.6090 75.3840 22.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 44.1220 81.2130 24.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 44.9360 79.1710 26.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 45.5330 81.5020 26.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 39.9000 73.1490 20.7910 O 0 0 0 0 0 0 0 0 0 0 0 0 38.7610 75.8990 23.4820 N 0 0 0 0 0 0 0 0 0 0 0 0 38.2910 74.2830 21.8930 N 0 0 0 0 0 0 0 0 0 0 0 0 38.3010 77.0500 24.2810 C 0 0 1 0 0 0 0 0 0 0 0 0 39.0470 78.7630 25.6170 C 0 0 1 0 0 0 0 0 0 0 0 0 38.5480 77.7040 26.5830 C 0 0 2 0 0 0 0 0 0 0 0 0 37.8000 76.7080 25.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 37.8000 75.2040 22.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 40.1980 79.6470 26.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 40.1010 75.6560 23.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 40.5710 74.7580 22.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 39.6130 73.9970 21.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 42.0320 74.5120 22.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 21 1 0 0 0 0 9 20 2 0 0 0 0 13 24 2 0 0 0 0 14 20 1 0 0 0 0 14 22 1 0 0 0 0 15 20 1 0 0 0 0 15 24 1 0 0 0 0 16 14 1 1 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 1 0 0 0 18 8 1 6 0 0 0 18 19 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 M END $$$$ 829753 OpenBabel12061010053D 9 9 0 0 0 0 0 0 0 0999 V2000 -12.0430 31.7560 41.7090 S 0 0 2 0 0 0 0 0 0 0 0 0 -10.6800 31.3330 41.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.0310 30.7290 41.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3070 31.9820 39.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0810 33.0960 39.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7950 31.0340 39.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3280 33.2620 38.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0620 31.2080 37.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8330 32.3190 37.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 6 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 8 9 1 0 0 0 0 M END $$$$ 829755 OpenBabel12061010053D 31 32 0 0 0 0 0 0 0 0999 V2000 -11.7130 32.2680 41.1730 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.9670 41.5090 40.7690 F 0 0 0 0 0 0 0 0 0 0 0 0 -10.2180 40.1500 40.5920 F 0 0 0 0 0 0 0 0 0 0 0 0 -11.8190 39.9730 39.2150 F 0 0 0 0 0 0 0 0 0 0 0 0 -14.0050 38.7630 39.9120 F 0 0 0 0 0 0 0 0 0 0 0 0 -14.3730 38.3940 42.0180 F 0 0 0 0 0 0 0 0 0 0 0 0 -14.3970 40.4100 41.2310 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.0280 33.1160 40.0440 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.8170 33.1660 42.0900 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.8310 34.9230 40.9560 F 0 0 0 0 0 0 0 0 0 0 0 0 -11.9930 39.7830 42.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9020 32.5200 41.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2320 30.9440 41.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4320 33.5350 41.2050 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.1890 39.2470 41.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5500 40.2410 40.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7270 39.2350 41.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6920 37.7780 41.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8350 34.9810 41.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3780 37.0200 42.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5810 37.0740 40.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9650 35.6720 42.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1590 35.7240 40.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3070 32.2400 39.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2910 33.2710 40.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9820 33.6190 40.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7620 31.3120 38.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2950 33.1640 39.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2230 31.2990 37.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7480 33.1380 37.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2230 32.2130 36.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 1 13 2 0 0 0 0 1 14 1 0 0 0 0 1 24 1 0 0 0 0 2 16 1 0 0 0 0 3 16 1 0 0 0 0 4 16 1 0 0 0 0 5 17 1 0 0 0 0 6 17 1 0 0 0 0 7 17 1 0 0 0 0 8 26 1 0 0 0 0 9 26 1 0 0 0 0 10 26 1 0 0 0 0 11 15 1 0 0 0 0 14 19 1 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 22 1 0 0 0 0 21 23 2 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 27 29 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 30 31 1 0 0 0 0 M END $$$$ 829781 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 58.4930 42.3250 14.5590 O 0 0 0 0 0 0 0 0 0 0 0 0 61.3480 44.5810 12.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 59.2570 43.2920 11.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 59.1400 43.0830 16.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 56.0610 41.7970 12.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 62.3120 46.2490 14.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 60.4420 45.3700 15.3570 N 0 0 0 0 0 0 0 0 0 0 0 0 60.1830 44.0940 14.7060 C 0 0 2 0 0 0 0 0 0 0 0 0 60.0640 44.2870 13.1750 C 0 0 2 0 0 0 0 0 0 0 0 0 59.5010 43.0330 12.4930 C 0 0 1 0 0 0 0 0 0 0 0 0 58.9030 43.4800 15.3030 C 0 0 1 0 0 0 0 0 0 0 0 0 58.2050 42.6540 13.1920 C 0 0 1 0 0 0 0 0 0 0 0 0 57.4490 41.4950 12.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 61.1100 46.3330 14.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 60.3350 47.5760 14.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 8 7 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 4 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 829783 OpenBabel12061010053D 13 12 0 0 0 0 0 0 0 0999 V2000 9.0530 -6.9780 -6.4220 P 0 0 0 0 0 0 0 0 0 0 0 0 8.5860 -5.4860 -6.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4300 -7.5000 -7.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5950 -7.0860 -6.5920 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5150 -7.8430 -5.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2640 -3.1310 -5.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7060 -0.1700 -4.9250 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9320 -1.7860 -6.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4090 -1.2250 -3.8220 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6630 -3.0730 -5.4470 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2810 -4.4990 -5.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3800 -2.1040 -4.4890 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4060 -1.3090 -5.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 11 1 0 0 0 0 7 13 2 0 0 0 0 8 13 1 0 0 0 0 10 6 1 1 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 9 1 6 0 0 0 12 13 1 0 0 0 0 M END $$$$ 829807 OpenBabel12061010053D 6 5 0 0 0 0 0 0 0 0999 V2000 -20.9160 116.7540 5.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.3810 119.2140 6.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.2260 118.7400 6.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.9370 116.0830 6.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.7740 117.0020 5.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.4360 118.3940 6.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 2 6 2 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 M END $$$$ 829857 OpenBabel12061010053D 23 24 0 0 0 0 0 0 0 0999 V2000 60.0410 69.1170 161.0550 S 0 0 0 0 0 0 0 0 0 0 0 0 58.1940 69.8890 162.8930 O 0 0 0 0 0 0 0 0 0 0 0 0 60.5060 67.7650 163.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 60.6730 72.2860 161.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 60.0130 66.1290 159.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 58.8120 74.1060 162.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 61.1220 63.9850 161.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 56.5200 72.3310 162.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 62.5800 65.6410 163.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 56.6040 68.6910 164.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 59.8770 67.7310 166.2830 O 0 0 0 0 0 0 0 0 0 0 0 0 59.4900 70.3380 162.3710 C 0 0 2 0 0 0 0 0 0 0 0 0 59.8950 67.5540 162.0050 C 0 0 2 0 0 0 0 0 0 0 0 0 59.4170 71.8190 161.8690 C 0 0 1 0 0 0 0 0 0 0 0 0 60.5840 66.3690 161.2330 C 0 0 1 0 0 0 0 0 0 0 0 0 58.8880 72.7350 163.0460 C 0 0 2 0 0 0 0 0 0 0 0 0 60.5000 65.0740 162.0630 C 0 0 2 0 0 0 0 0 0 0 0 0 57.4910 72.1940 163.4920 C 0 0 2 0 0 0 0 0 0 0 0 0 61.1660 65.3550 163.5130 C 0 0 2 0 0 0 0 0 0 0 0 0 57.6400 70.7040 163.9440 C 0 0 1 0 0 0 0 0 0 0 0 0 60.3970 66.5830 164.2180 C 0 0 1 0 0 0 0 0 0 0 0 0 56.3320 70.0380 164.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 60.9000 66.9860 165.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 0 2 20 1 0 0 0 0 3 13 1 0 0 0 0 3 21 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 1 1 6 0 0 0 12 14 1 0 0 0 0 13 1 1 6 0 0 0 13 15 1 0 0 0 0 14 4 1 1 0 0 0 14 16 1 0 0 0 0 15 5 1 1 0 0 0 15 17 1 0 0 0 0 16 6 1 6 0 0 0 16 18 1 0 0 0 0 17 7 1 6 0 0 0 17 19 1 0 0 0 0 18 8 1 6 0 0 0 18 20 1 0 0 0 0 19 9 1 6 0 0 0 19 21 1 0 0 0 0 20 22 1 6 0 0 0 21 23 1 6 0 0 0 M END $$$$ 829876 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 23.5620 11.0810 107.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9160 12.3780 104.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2380 14.2550 105.8560 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4480 10.3920 105.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2460 13.6020 108.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0650 7.4600 103.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8390 9.6780 104.2040 N 0 0 0 0 0 0 0 0 0 0 0 0 22.0590 10.5520 105.3500 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0960 12.0260 104.9300 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2390 12.8780 106.1960 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3750 10.2180 106.0790 C 0 0 2 0 0 0 0 0 0 0 0 0 23.5560 12.4960 106.9040 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8680 13.2720 108.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4470 8.4060 104.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1720 8.1280 105.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 8 7 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 4 1 6 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 829887 OpenBabel12061010053D 28 31 0 0 0 0 0 0 0 0999 V2000 12.1380 6.5930 -12.1750 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.5410 13.7530 -8.6710 F 0 0 0 0 0 0 0 0 0 0 0 0 15.2930 8.3120 -15.8870 F 0 0 0 0 0 0 0 0 0 0 0 0 16.5400 12.1490 -14.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7060 12.2600 -11.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0490 8.9650 -12.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1220 16.3950 -12.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7320 10.5290 -13.3430 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1150 14.4750 -11.5320 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6590 12.8780 -12.4540 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7120 12.4280 -11.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2560 11.8500 -13.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1870 11.1140 -11.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3330 13.1540 -11.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6870 10.1280 -12.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9230 14.2460 -13.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0420 15.1750 -12.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1840 13.3210 -10.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1650 10.7110 -10.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1590 9.5360 -14.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0960 12.8710 -9.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6070 11.5930 -9.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9490 8.8450 -13.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0640 8.2040 -14.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6310 8.7720 -12.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9130 7.5220 -14.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6770 7.4720 -12.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5150 8.1040 -11.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 21 1 0 0 0 0 3 24 1 0 0 0 0 4 12 2 0 0 0 0 5 14 2 0 0 0 0 6 15 2 0 0 0 0 7 17 2 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 8 20 1 0 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 1 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 18 2 0 0 0 0 13 15 1 0 0 0 0 13 19 2 0 0 0 0 16 17 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 M END $$$$ 829889 OpenBabel12061010053D 20 22 0 0 0 0 0 0 0 0999 V2000 14.6020 -11.1630 18.3540 F 0 0 0 0 0 0 0 0 0 0 0 0 17.7950 -8.3880 14.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2910 -5.9460 16.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0350 -5.9400 20.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7250 -5.4940 14.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2290 -6.8280 18.7870 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3640 -5.6880 18.3290 N 0 0 0 0 0 0 0 0 0 0 0 0 19.8710 -7.6700 13.5600 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0240 -7.0630 17.3570 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6150 -8.4770 17.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7950 -6.1500 17.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9760 -9.0200 15.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2360 -6.6220 16.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0510 -6.9940 15.0590 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2000 -6.1380 19.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8150 -9.2220 17.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4790 -10.2670 15.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3880 -10.4580 17.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2840 -6.6510 14.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6900 -11.0080 16.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 11 2 0 0 0 0 4 15 2 0 0 0 0 5 19 2 0 0 0 0 6 15 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 8 19 1 0 0 0 0 9 6 1 1 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 10 16 2 0 0 0 0 12 17 2 0 0 0 0 13 14 1 0 0 0 0 14 19 1 1 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 18 20 2 0 0 0 0 M END $$$$ 829893 OpenBabel12061010053D 16 17 0 0 0 0 0 0 0 0999 V2000 -15.5220 89.5720 -2.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.3560 86.6720 3.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.8220 88.8390 2.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.6490 87.0420 0.8560 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.2390 86.8600 0.7990 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.0070 88.5050 -0.8100 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.3240 88.2400 -0.9020 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.9910 86.9540 0.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.4130 87.3530 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6450 88.2500 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5270 88.7660 -1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5620 87.7630 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2130 87.3420 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8950 86.1290 1.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8640 88.0300 3.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.3880 88.0670 3.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 5 9 1 0 0 0 0 5 13 2 0 0 0 0 6 10 1 0 0 0 0 6 12 2 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 15 16 1 0 0 0 0 M END $$$$ 829897 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 -14.7320 -29.2630 -26.4290 S 0 0 0 0 0 0 0 0 0 0 0 0 -13.2040 -29.8530 -28.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3240 -27.3930 -25.8720 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7790 -28.3510 -26.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6400 -30.7350 -27.9060 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3190 -30.6150 -31.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1800 -28.5480 -26.7110 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.4210 -28.7450 -27.5660 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.9600 -28.3500 -27.5820 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.8350 -29.4890 -28.6080 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.1800 -29.5300 -29.3400 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.3400 -30.7770 -30.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2740 -28.7490 -27.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4520 -28.7770 -26.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5620 -29.6800 -28.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 6 12 1 0 0 0 0 7 3 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 1 1 1 0 0 0 9 4 1 1 0 0 0 9 10 1 0 0 0 0 10 5 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 M END $$$$ 829898 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 -12.9650 50.2630 22.5690 S 0 0 0 0 0 0 0 0 0 0 0 0 -13.6160 50.7310 23.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0480 51.2610 22.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3310 48.9720 22.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.0720 47.0350 19.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.3360 48.7580 20.8060 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.2270 50.0130 21.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2390 48.9840 21.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8620 47.9920 19.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4680 47.9800 21.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0550 47.8160 18.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5900 47.7360 20.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 M END $$$$ 829909 OpenBabel12061010053D 64 72 0 0 0 0 0 0 0 0999 V2000 42.1380 39.6180 26.9020 S 0 0 0 0 0 0 0 0 0 0 0 0 42.5440 33.0800 15.1940 S 0 0 0 0 0 0 0 0 0 0 0 0 35.2360 30.0060 32.6460 S 0 0 0 0 0 0 0 0 0 0 0 0 34.1910 23.4900 20.3010 S 0 0 0 0 0 0 0 0 0 0 0 0 43.0320 39.4520 28.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 40.9860 40.3330 27.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 41.8660 34.1950 14.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 42.4230 31.9000 14.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 42.8180 40.2900 25.7050 O 0 0 0 0 0 0 0 0 0 0 0 0 44.0070 33.4330 15.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 36.3180 29.4860 33.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 34.1260 29.1250 32.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 34.9660 22.3600 20.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 34.0810 23.6690 18.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 34.8490 31.3890 33.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 32.8340 23.4030 20.9690 O 0 0 0 0 0 0 0 0 0 0 0 0 39.8970 32.7280 22.9720 N 0 0 0 0 0 0 0 0 0 0 0 0 38.5870 30.2460 22.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 38.6200 32.2650 25.5480 N 0 0 0 0 0 0 0 0 0 0 0 0 37.3560 29.7730 24.6410 N 0 0 0 0 0 0 0 0 0 0 0 0 40.0970 31.7920 20.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 40.0760 34.2150 24.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 37.0620 28.3500 22.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1610 30.7010 26.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 40.3900 32.7480 21.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 40.3830 33.8610 23.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 39.2470 30.6380 20.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 39.2560 33.4770 25.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 37.8650 29.0830 21.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 37.9480 31.8850 26.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8410 28.6580 23.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8970 29.7320 25.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 40.6780 35.5410 25.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 40.7470 32.0630 19.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5670 30.5200 28.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3470 27.0930 22.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 41.2200 33.9050 21.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 41.2090 34.5750 22.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 38.9070 29.6880 19.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 38.9440 33.8260 27.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 38.0840 28.7700 20.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 38.1790 32.8900 27.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 36.1050 28.5590 26.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 36.0700 27.9240 24.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 39.9730 36.7770 25.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 40.2000 33.1750 18.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 41.8410 35.6080 26.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 41.8560 31.2850 18.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1870 30.8710 28.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 37.0850 25.8630 21.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 37.4790 30.0040 29.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9180 27.1770 21.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 41.5830 38.0670 26.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 41.8440 32.7010 16.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7170 30.1940 30.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9990 24.8670 20.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 40.4330 38.0200 25.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 40.7500 33.4810 17.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 42.2920 36.8820 26.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 42.3900 31.6140 17.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7750 30.6980 30.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 36.4020 24.7540 21.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 37.0490 29.8510 30.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2610 26.0510 21.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 1 53 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 10 1 0 0 0 0 2 54 1 0 0 0 0 3 11 2 0 0 0 0 3 12 2 0 0 0 0 3 15 1 0 0 0 0 3 55 1 0 0 0 0 4 13 2 0 0 0 0 4 14 2 0 0 0 0 4 16 1 0 0 0 0 4 56 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 18 29 2 0 0 0 0 19 28 1 0 0 0 0 19 30 2 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 21 25 1 0 0 0 0 21 27 2 0 0 0 0 21 34 1 0 0 0 0 22 26 1 0 0 0 0 22 28 2 0 0 0 0 22 33 1 0 0 0 0 23 29 1 0 0 0 0 23 31 2 0 0 0 0 23 36 1 0 0 0 0 24 30 1 0 0 0 0 24 32 2 0 0 0 0 24 35 1 0 0 0 0 25 37 2 0 0 0 0 26 38 2 0 0 0 0 27 39 1 0 0 0 0 28 40 1 0 0 0 0 29 41 1 0 0 0 0 30 42 1 0 0 0 0 31 44 1 0 0 0 0 32 43 1 0 0 0 0 33 45 2 0 0 0 0 33 47 1 0 0 0 0 34 46 2 0 0 0 0 34 48 1 0 0 0 0 35 49 2 0 0 0 0 35 51 1 0 0 0 0 36 50 2 0 0 0 0 36 52 1 0 0 0 0 37 38 1 0 0 0 0 39 41 2 0 0 0 0 40 42 2 0 0 0 0 43 44 2 0 0 0 0 45 57 1 0 0 0 0 46 58 1 0 0 0 0 47 59 2 0 0 0 0 48 60 2 0 0 0 0 49 61 1 0 0 0 0 50 62 1 0 0 0 0 51 63 2 0 0 0 0 52 64 2 0 0 0 0 53 57 2 0 0 0 0 53 59 1 0 0 0 0 54 58 2 0 0 0 0 54 60 1 0 0 0 0 55 61 2 0 0 0 0 55 63 1 0 0 0 0 56 62 2 0 0 0 0 56 64 1 0 0 0 0 M END $$$$ 829933 OpenBabel12061010053D 21 24 0 0 0 0 0 0 0 0999 V2000 5.4320 9.5810 7.3750 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7770 8.4320 7.8040 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8770 7.0130 1.4470 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2190 11.0760 5.6250 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6090 8.3280 5.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2630 7.8460 4.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3520 9.5570 6.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8850 7.4780 3.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 7.0340 2.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9580 10.6280 5.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2760 7.6560 6.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3660 7.7760 3.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 7.4710 4.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1370 7.3470 1.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 6.6570 1.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 11.1970 3.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 7.0740 3.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 6.6680 2.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9610 12.0100 5.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1600 12.1990 3.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4610 12.6140 3.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 2 11 2 0 0 0 0 3 9 2 0 0 0 0 3 14 1 0 0 0 0 4 10 2 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 12 14 2 0 0 0 0 13 17 2 0 0 0 0 15 18 2 0 0 0 0 16 20 2 0 0 0 0 17 18 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 M END $$$$ 829962 OpenBabel12061010053D 21 22 0 0 0 0 0 0 0 0999 V2000 23.2470 47.1690 19.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2010 46.5410 20.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8470 49.1870 20.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3260 50.0060 22.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5580 49.2120 20.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3040 45.0510 19.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9540 42.5190 22.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3330 41.3660 20.4270 N 0 0 0 0 0 0 0 0 0 0 0 0 24.5110 47.5330 19.5940 C 0 0 2 0 0 0 0 0 0 0 0 0 24.5300 48.8490 20.3360 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5160 48.7330 21.5090 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1630 48.2010 21.0130 C 0 0 2 0 0 0 0 0 0 0 0 0 22.3820 46.9140 20.1940 C 0 0 1 0 0 0 0 0 0 0 0 0 25.6670 45.3390 19.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0830 46.3750 19.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4160 44.4930 20.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9270 43.2580 20.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3850 44.9580 18.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6380 42.9080 18.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8820 43.7360 18.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7320 42.3950 20.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 14 1 0 0 0 0 6 15 1 0 0 0 0 7 21 2 0 0 0 0 8 21 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 11 1 0 0 0 0 11 4 1 6 0 0 0 11 12 1 0 0 0 0 12 5 1 6 0 0 0 12 13 1 0 0 0 0 13 15 1 6 0 0 0 14 16 1 0 0 0 0 14 18 2 0 0 0 0 16 17 2 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 M END $$$$ 830044 OpenBabel12061010053D 35 42 0 0 0 0 0 0 0 0999 V2000 40.4250 7.2100 30.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 37.9390 6.1050 31.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 41.8680 8.0920 37.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 38.8810 8.5880 31.3470 N 0 0 0 0 0 0 0 0 0 0 0 0 41.0160 6.3880 32.2050 N 0 0 0 0 0 0 0 0 0 0 0 0 40.1480 9.6700 37.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 37.5710 3.9080 29.9620 N 0 0 0 0 0 0 0 0 0 0 0 0 39.5620 8.4540 32.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 40.5000 7.4280 32.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 39.1580 9.4250 33.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 41.0070 7.3750 34.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0090 7.6120 30.1940 C 0 0 2 0 0 0 0 0 0 0 0 0 40.5750 8.3850 35.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 39.6680 9.3800 34.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 38.0110 9.6970 31.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 38.1880 10.2320 32.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 41.8690 6.2410 34.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 41.8620 5.6520 33.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 40.7830 6.0300 30.7990 C 0 0 1 0 0 0 0 0 0 0 0 0 38.0200 6.3500 30.3680 C 0 0 1 0 0 0 0 0 0 0 0 0 40.9550 8.6570 36.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 38.5760 4.9930 29.7840 C 0 0 1 0 0 0 0 0 0 0 0 0 39.9570 4.7640 30.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 39.3860 10.2770 35.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 37.0320 10.3000 30.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 37.4100 11.3730 33.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 38.8300 8.2060 28.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 42.6940 5.6880 35.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 42.6520 4.4930 32.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 36.2800 11.4040 31.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 36.4690 11.9420 32.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.4700 4.5590 35.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 43.4490 3.9940 33.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 36.6650 6.3720 32.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 36.4640 3.8880 28.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 34 1 0 0 0 0 3 21 2 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 5 9 1 0 0 0 0 5 18 1 0 0 0 0 6 21 1 0 0 0 0 6 24 2 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 14 2 0 0 0 0 10 16 1 0 0 0 0 11 13 2 0 0 0 0 11 17 1 0 0 0 0 12 20 1 0 0 0 0 12 27 1 6 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 18 2 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 19 5 1 1 0 0 0 19 1 1 0 0 0 0 19 23 1 0 0 0 0 20 2 1 1 0 0 0 20 22 1 0 0 0 0 22 7 1 1 0 0 0 22 23 1 0 0 0 0 25 30 2 0 0 0 0 26 31 2 0 0 0 0 28 32 2 0 0 0 0 29 33 2 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 M END $$$$ 830052 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 122.9540 91.2550 10.3360 P 0 0 0 0 0 0 0 0 0 0 0 0 120.8150 93.1680 10.9160 P 0 0 0 0 0 0 0 0 0 0 0 0 126.3720 93.9550 9.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 124.1630 92.2930 10.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 121.9600 92.1260 11.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 126.5030 97.1830 7.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 125.4870 96.9980 9.9060 O 0 0 0 0 0 0 0 0 0 0 0 0 122.2460 90.8710 9.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 123.4310 90.0380 11.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 121.1410 94.4860 11.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 119.5240 92.6440 11.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 120.7710 93.2360 9.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 127.6100 94.2360 7.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 127.8800 93.1250 5.2090 N 0 0 0 0 0 0 0 0 0 0 0 0 129.9900 94.6580 7.5450 N 0 0 0 0 0 0 0 0 0 0 0 0 131.4850 93.7580 5.9400 N 0 0 0 0 0 0 0 0 0 0 0 0 130.6710 92.5670 4.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 126.9960 94.8970 8.2250 C 0 0 1 0 0 0 0 0 0 0 0 0 128.8930 94.1790 6.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 125.9630 95.9160 7.8170 C 0 0 1 0 0 0 0 0 0 0 0 0 125.1500 94.5260 9.6470 C 0 0 1 0 0 0 0 0 0 0 0 0 125.0330 95.9380 9.0100 C 0 0 1 0 0 0 0 0 0 0 0 0 129.0760 93.4460 5.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 126.9730 93.5960 6.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 123.9410 93.5800 9.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 130.4190 93.2490 5.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 131.2830 94.4600 7.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 18 13 1 6 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 6 1 1 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 6 0 0 0 22 7 1 1 0 0 0 23 26 2 0 0 0 0 M END $$$$ 830087 OpenBabel12061010053D 21 21 0 0 0 0 0 0 0 0999 V2000 33.0950 49.3960 9.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 40.6220 54.8610 2.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 40.8060 53.4860 1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 41.6600 53.3940 0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 41.4450 56.0630 1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.1090 52.2060 1.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 42.4450 54.6530 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 41.9110 56.0160 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 41.0620 54.6980 3.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 39.1460 55.4330 2.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 39.2050 51.8660 2.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 42.0000 52.2380 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 38.5810 50.5700 2.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 37.7160 50.6040 4.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 36.9580 49.4110 4.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 38.8740 49.3540 2.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2840 48.7020 6.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 36.1550 49.6740 5.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6180 49.3190 7.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1650 47.2630 5.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6740 48.6870 8.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 4 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 5 8 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 15 18 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 19 21 1 0 0 0 0 M END $$$$ 830144 OpenBabel12061010053D 8 7 0 0 0 0 0 0 0 0999 V2000 -12.2410 -6.9580 64.5730 S 0 0 0 0 0 0 0 0 0 0 0 0 -13.7860 -8.3000 69.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.0240 -10.4130 68.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2820 -10.5830 68.2240 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.9610 -9.2810 68.0730 C 0 0 2 0 0 0 0 0 0 0 0 0 -13.3800 -9.3360 68.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0290 -8.9200 66.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3680 -7.4350 66.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 6 2 0 0 0 0 3 6 1 0 0 0 0 5 4 1 6 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 M END $$$$ 830173 OpenBabel12061010053D 19 20 0 0 0 0 0 0 0 0999 V2000 17.4570 39.1690 27.1390 P 0 0 0 0 0 0 0 0 0 0 0 0 15.6230 41.0640 26.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5830 39.3580 29.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3610 37.7020 27.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9300 39.9870 28.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3020 39.5460 25.8960 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0030 38.3130 26.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1250 40.6910 27.4650 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7700 38.7430 27.9880 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3150 41.5200 27.7250 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3140 41.5830 26.5370 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8330 39.5610 28.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0450 42.9690 28.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3120 40.9930 26.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6750 43.0210 26.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1160 43.7960 27.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9670 39.0440 26.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7270 39.6520 26.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2360 40.1790 26.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 18 1 0 0 0 0 2 18 1 0 0 0 0 3 12 2 0 0 0 0 7 17 2 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 10 8 1 6 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 2 1 1 0 0 0 11 15 1 0 0 0 0 13 16 1 0 0 0 0 14 19 2 0 0 0 0 15 16 1 0 0 0 0 17 19 1 0 0 0 0 M END $$$$ 830196 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 41.4050 86.5860 117.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 39.7310 87.8720 118.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 42.7860 85.4320 120.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 40.4770 86.1920 121.9110 O 0 0 0 0 0 0 0 0 0 0 0 0 39.8410 85.5530 116.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 38.1440 85.2940 117.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 44.5530 88.0730 119.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 45.1390 88.1190 116.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 39.9880 86.4380 118.2440 C 0 0 2 0 0 0 0 0 0 0 0 0 42.2760 87.3610 118.7230 C 0 0 1 0 0 0 0 0 0 0 0 0 42.1880 86.7520 120.1340 C 0 0 1 0 0 0 0 0 0 0 0 0 40.6640 86.7770 120.6000 C 0 0 1 0 0 0 0 0 0 0 0 0 39.8550 85.8970 119.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 39.3300 85.6260 117.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 43.7220 87.4080 118.1930 C 0 0 1 0 0 0 0 0 0 0 0 0 43.8100 88.1680 116.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 16 1 0 0 0 0 9 2 1 6 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 1 1 6 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 3 1 6 0 0 0 11 12 1 0 0 0 0 12 4 1 1 0 0 0 12 13 1 0 0 0 0 15 7 1 1 0 0 0 15 16 1 0 0 0 0 M END $$$$ 830210 OpenBabel12061010053D 15 16 0 0 0 0 0 0 0 0999 V2000 19.1420 60.1400 31.7730 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9510 62.0280 30.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5290 59.7140 31.3060 N 0 0 0 0 0 0 0 0 0 0 0 0 18.8700 62.9900 33.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1820 60.2210 33.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7180 61.2120 32.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4700 59.2910 32.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2950 60.8490 31.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5960 62.4030 32.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2460 60.0090 34.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0540 61.8960 32.9690 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8050 58.1920 33.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6290 61.2890 31.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5970 58.9030 35.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8850 58.0090 34.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 13 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 12 1 0 0 0 0 10 14 2 0 0 0 0 11 9 1 6 0 0 0 11 4 1 0 0 0 0 11 13 1 0 0 0 0 12 15 2 0 0 0 0 14 15 1 0 0 0 0 M END $$$$ 830277 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 11.2630 5.9460 4.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6840 4.4200 2.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9870 4.5300 0.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4040 4.1330 5.4920 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1660 3.7830 5.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5710 6.7090 0.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0410 4.4020 3.1700 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8830 5.2320 2.2000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1350 4.9670 4.5770 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3000 5.5170 2.7370 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5900 5.0650 5.0010 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0050 6.6290 1.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 6 0 0 0 M END $$$$ 830307 OpenBabel12061010053D 15 14 0 0 0 0 0 0 0 0999 V2000 13.1450 12.8950 35.3950 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.8780 1.6770 37.6370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 2.6350 38.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4670 2.5750 38.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3320 3.6960 38.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 4.8900 38.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5720 5.8140 38.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0460 7.0770 38.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5330 7.3140 38.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1950 8.3290 37.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6680 8.5410 37.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2840 9.5570 36.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7080 9.9280 37.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2370 10.9540 36.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6590 11.3760 36.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 4 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 M END $$$$ 830358 OpenBabel12061010053D 24 26 0 0 0 0 0 0 0 0999 V2000 17.9340 30.2940 52.5920 P 0 0 0 0 0 0 0 0 0 0 0 0 20.1380 33.8740 50.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9440 31.4890 51.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2290 34.1180 52.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7660 29.5930 45.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5840 30.9550 53.7490 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4990 29.9610 52.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7450 29.2430 51.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3400 32.6010 51.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4680 31.9830 48.8480 N 0 0 0 0 0 0 0 0 0 0 0 0 19.4450 31.3010 46.7310 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5250 30.9100 49.6190 N 0 0 0 0 0 0 0 0 0 0 0 0 22.5860 29.7010 47.8670 N 0 0 0 0 0 0 0 0 0 0 0 0 23.4740 29.7220 49.9880 N 0 0 0 0 0 0 0 0 0 0 0 0 19.1290 32.8320 49.9830 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2110 32.1530 51.3120 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5900 31.2010 48.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4470 33.3610 52.2310 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5720 30.7970 47.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4120 34.2090 51.3860 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8260 31.9880 47.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6360 29.9900 46.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5180 30.1420 49.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9120 33.9530 51.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 15 1 0 0 0 0 2 20 1 0 0 0 0 5 22 2 0 0 0 0 9 24 1 0 0 0 0 10 17 1 0 0 0 0 10 21 1 0 0 0 0 11 19 1 0 0 0 0 11 21 2 0 0 0 0 12 17 1 0 0 0 0 12 23 2 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 23 1 0 0 0 0 15 10 1 1 0 0 0 15 16 1 0 0 0 0 16 3 1 6 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 18 4 1 6 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 20 24 1 6 0 0 0 M END $$$$ 830387 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 16.2040 7.6020 139.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7770 5.7320 143.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8900 6.3090 142.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9280 9.5500 141.5160 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6600 6.4520 140.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8650 5.1620 140.3540 N 0 0 0 0 0 0 0 0 0 0 0 0 18.0970 6.8300 138.3840 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9170 6.2230 140.6920 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0030 5.8220 141.8480 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8780 6.8550 142.0570 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1290 6.5210 139.4290 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2150 7.2490 140.7010 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2670 8.4560 140.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1730 5.3800 140.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0650 4.2230 140.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 830412 OpenBabel12061010053D 13 12 0 0 0 0 0 0 0 0999 V2000 112.4750 26.6450 40.7500 S 0 0 2 0 0 0 0 0 0 0 0 0 113.1570 27.1720 41.9640 O 0 0 0 0 0 0 0 0 0 0 0 0 113.0560 23.2380 38.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 110.8010 26.3490 41.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 113.1820 25.0440 40.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 110.8040 26.1270 42.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 109.4480 25.6760 43.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 112.5020 24.4830 39.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 108.3050 26.6700 43.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 106.9800 26.1730 43.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 105.7510 26.7190 43.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 104.6490 25.6720 42.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 103.9460 25.2430 44.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 3 8 1 0 0 0 0 4 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 M END $$$$ 830451 OpenBabel12061010053D 28 31 0 0 0 0 0 0 0 0999 V2000 28.4470 59.8400 49.7700 S 0 0 0 0 0 0 0 0 0 0 0 0 29.8250 59.6520 49.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6770 60.9140 49.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1420 59.0600 52.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0280 58.0630 52.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4190 59.9900 51.3650 N 0 0 0 0 0 0 0 0 0 0 0 0 27.1280 60.3280 52.0350 C 0 0 2 0 0 0 0 0 0 0 0 0 27.6250 58.3170 49.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5560 59.4030 52.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4640 59.6780 53.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4930 60.5620 54.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4340 61.2220 53.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3880 59.0780 52.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3090 58.3190 48.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3570 57.1110 49.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4710 55.9070 48.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4030 59.0550 54.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4960 60.8580 55.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7250 57.1180 48.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7630 55.9330 49.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0000 54.6660 47.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3890 59.3230 55.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4510 60.2220 56.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1270 54.7500 46.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4680 53.3970 48.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7080 53.5400 45.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0520 52.2050 47.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1650 52.2760 46.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 4 13 2 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 1 0 0 0 8 14 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 14 19 1 0 0 0 0 15 20 2 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 17 22 2 0 0 0 0 18 23 2 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 24 26 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 M END $$$$ 830484 OpenBabel12061010053D 24 25 0 0 0 0 0 0 0 0999 V2000 -0.4690 -37.0220 22.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5660 -33.6870 22.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7010 -33.7920 25.7050 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 -34.3950 24.4720 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 -35.3520 22.4160 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 -35.2980 25.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 -36.2410 24.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 -36.2700 23.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 -34.4180 23.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -35.2160 26.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -37.3210 25.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 -34.0970 27.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4860 -33.3060 25.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -33.6220 26.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6330 -33.5760 28.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 -32.6450 27.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -32.6030 29.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -38.3670 25.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -36.7700 25.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 -32.1380 28.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8530 -33.3800 24.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 -32.1460 27.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 -32.0480 30.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0990 -34.1050 25.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 9 2 0 0 0 0 3 13 1 0 0 0 0 3 21 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 10 12 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 16 20 2 0 0 0 0 16 22 1 0 0 0 0 17 20 1 0 0 0 0 17 23 1 0 0 0 0 21 24 1 0 0 0 0 M END $$$$ 830500 OpenBabel12061010053D 43 46 0 0 0 0 0 0 0 0999 V2000 44.9690 22.9340 53.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 41.8410 26.1730 53.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 42.1620 24.4440 54.2580 N 0 0 0 0 0 0 0 0 0 0 0 0 44.2310 22.8130 51.3880 N 0 0 0 0 0 0 0 0 0 0 0 0 46.9720 18.5270 54.7590 N 0 3 0 0 0 0 0 0 0 0 0 0 45.5000 17.1420 53.6880 N 0 0 0 0 0 0 0 0 0 0 0 0 36.9370 25.9130 56.8130 N 0 3 0 0 0 0 0 0 0 0 0 0 37.4380 23.7110 56.7640 N 0 0 0 0 0 0 0 0 0 0 0 0 44.0830 25.0720 52.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 44.4480 23.5860 52.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 42.6810 25.2160 53.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 45.0950 21.7110 53.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 40.7820 26.0230 53.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 40.9640 24.9440 54.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 44.6370 21.6180 51.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 45.5690 20.6580 53.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 39.9770 24.5270 55.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 39.6390 26.7840 53.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 45.5810 19.3920 53.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 44.6150 20.4130 51.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 38.7590 25.2630 55.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 38.6270 26.3950 54.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 45.0970 19.2840 51.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 46.0330 18.3150 53.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6910 24.9400 56.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 44.0400 25.5310 51.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 44.8390 25.5610 53.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 45.2090 23.3190 54.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 41.9860 26.8780 52.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 45.9180 20.8020 54.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 40.1390 23.6700 56.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 39.5410 27.6350 53.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 44.2490 20.3390 50.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 37.7190 26.9790 54.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 45.1040 18.3250 51.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 47.3580 19.4510 54.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 47.2750 17.8580 55.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 44.7850 17.0370 52.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 45.7840 16.3190 54.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 37.1820 26.8610 56.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 36.2020 25.8020 57.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 38.0320 22.9610 56.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 36.6830 23.4970 57.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 1 28 1 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 2 29 1 0 0 0 0 3 11 2 0 0 0 0 3 14 1 0 0 0 0 4 10 2 0 0 0 0 4 15 1 0 0 0 0 5 24 2 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 24 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 25 2 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 25 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 12 15 1 0 0 0 0 12 16 2 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 17 2 0 0 0 0 15 20 2 0 0 0 0 16 19 1 0 0 0 0 16 30 1 0 0 0 0 17 21 1 0 0 0 0 17 31 1 0 0 0 0 18 22 1 0 0 0 0 18 32 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 23 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 M CHG 2 5 1 7 1 M END $$$$ 830509 OpenBabel12061010053D 9 8 0 0 0 0 0 0 0 0999 V2000 24.8190 -14.2480 8.7130 S 0 0 0 0 0 0 0 0 0 0 0 0 18.4960 -13.6780 8.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2320 -13.3380 6.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1650 -15.5690 9.4840 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6630 -14.2620 8.8950 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7210 -13.7270 7.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1070 -14.3750 8.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2000 -13.4820 8.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8640 -13.1590 9.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 6 2 0 0 0 0 3 6 1 0 0 0 0 5 4 1 6 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 M END $$$$ 830527 OpenBabel12061010053D 18 18 0 0 0 0 0 0 0 0999 V2000 44.4090 22.4790 -8.6630 P 0 0 0 0 0 0 0 0 0 0 0 0 43.7640 19.0310 -5.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 44.1080 21.0250 -8.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 42.4090 17.7150 -7.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 40.4050 18.5170 -6.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 45.1710 23.1980 -7.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 42.9250 23.0130 -8.7930 O 0 0 0 0 0 0 0 0 0 0 0 0 45.1720 22.4750 -10.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 41.4000 18.5280 -2.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 42.1930 19.9200 -3.7760 N 0 0 0 0 0 0 0 0 0 0 0 0 42.5300 21.1630 -0.5870 N 0 0 0 0 0 0 0 0 0 0 0 0 43.9070 19.1310 -6.6910 C 0 0 1 0 0 0 0 0 0 0 0 0 42.5250 19.0370 -7.3220 C 0 0 2 0 0 0 0 0 0 0 0 0 41.5990 19.2980 -6.1240 C 0 0 2 0 0 0 0 0 0 0 0 0 42.4110 18.9610 -4.8760 C 0 0 1 0 0 0 0 0 0 0 0 0 44.6060 20.4710 -7.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 41.7380 19.6600 -2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 41.5490 20.8400 -1.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 12 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 9 17 2 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 1 0 0 0 13 4 1 1 0 0 0 13 14 1 0 0 0 0 14 5 1 6 0 0 0 14 15 1 0 0 0 0 15 10 1 6 0 0 0 17 18 1 0 0 0 0 M END $$$$ 830529 OpenBabel12061010053D 9 8 0 0 0 0 0 0 0 0999 V2000 31.4620 15.5460 49.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 32.3450 13.5260 49.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 30.9060 13.3800 52.3740 N 0 0 0 0 0 0 0 0 0 0 0 0 36.1580 15.1540 53.7760 N 0 0 0 0 0 0 0 0 0 0 0 0 31.6550 14.5780 52.0230 C 0 0 2 0 0 0 0 0 0 0 0 0 31.8130 14.5620 50.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0760 14.4350 52.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6060 15.4720 53.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0060 15.9040 53.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 6 1 0 0 0 0 4 9 1 0 0 0 0 5 3 1 6 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 M END $$$$ 830531 OpenBabel12061010053D 9 8 0 0 0 0 0 0 0 0999 V2000 10.9300 89.7330 23.5350 N 0 3 0 0 0 0 0 0 0 0 0 0 12.3240 90.3600 23.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1450 89.5980 24.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1300 88.3330 22.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1330 90.6680 22.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1700 91.8200 24.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0900 89.1610 25.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7930 87.5990 22.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8400 90.7170 21.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 M CHG 1 1 1 M END $$$$ 830540 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 15.6840 29.5730 40.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4920 31.5250 43.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6630 32.9690 41.7380 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1040 29.3190 41.9930 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5150 28.7950 42.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3090 31.7070 38.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4440 30.9060 42.7660 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1940 31.6840 41.4480 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7900 29.4300 42.5120 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2180 30.9300 40.5210 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7530 28.8120 41.5540 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0570 31.5700 39.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 1 0 0 0 M END $$$$ 830556 OpenBabel12061010053D 20 20 0 0 0 0 0 0 0 0999 V2000 12.6920 15.3730 66.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3190 17.2250 65.6740 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0720 13.8940 67.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1560 12.5310 68.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5780 13.8150 70.1490 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9270 10.4650 69.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 11.3620 69.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6510 15.3920 67.0860 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5200 16.2250 65.9890 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6490 13.6890 68.7170 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6250 13.3540 68.1280 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7430 14.2930 67.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3520 14.4270 67.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3620 15.2840 66.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1920 16.3160 66.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3490 12.7180 68.0750 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9260 12.5460 68.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3880 12.6800 69.3370 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0970 11.3400 70.2440 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7700 10.4770 70.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 15 2 0 0 0 0 4 11 2 0 0 0 0 7 20 1 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 13 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 16 3 1 1 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 5 1 1 0 0 0 18 19 1 0 0 0 0 19 6 1 6 0 0 0 19 20 1 0 0 0 0 M END $$$$ 830565 OpenBabel12061010053D 4 3 0 0 0 0 0 0 0 0999 V2000 -3.8120 -2.3020 6.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -1.6390 4.7120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9820 -1.7230 5.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 -2.5050 4.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 4 1 0 0 0 0 M END $$$$ 830578 OpenBabel12061010053D 31 34 0 0 0 0 0 0 0 0999 V2000 17.4960 7.6840 49.6040 Cl 0 0 0 0 0 0 0 0 0 0 0 0 19.3270 15.1940 63.9450 F 0 0 0 0 0 0 0 0 0 0 0 0 19.3540 13.6310 55.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0000 11.9680 58.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5070 17.9300 59.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9960 12.1260 52.9510 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4780 12.0810 56.6820 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8890 14.2860 58.1730 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6590 11.7930 54.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1100 10.1120 52.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7150 11.1560 52.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0140 10.4300 54.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8490 12.5480 55.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7420 12.9090 57.9080 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2610 13.0880 58.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6670 8.9610 51.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9960 11.2080 50.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9610 8.9860 50.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1550 12.2170 59.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5830 10.0270 49.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3920 13.0710 60.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9230 15.3970 58.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0160 14.1960 59.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7840 16.6900 59.6430 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6690 16.7520 58.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7740 15.5550 59.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5860 14.1960 60.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4950 12.7040 61.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0100 14.5190 62.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8860 14.9160 62.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8010 13.4020 62.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 29 1 0 0 0 0 3 13 2 0 0 0 0 4 15 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 13 1 0 0 0 0 8 15 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 2 0 0 0 0 11 17 2 0 0 0 0 14 7 1 1 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 21 27 2 0 0 0 0 21 28 1 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 24 5 1 6 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 27 30 1 0 0 0 0 28 31 2 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 M END $$$$ 830591 OpenBabel12061010053D 18 18 0 0 0 0 0 0 0 0999 V2000 46.7420 18.6970 54.8200 N 0 3 0 0 0 0 0 0 0 0 0 0 45.4020 17.1580 53.8400 N 0 0 0 0 0 0 0 0 0 0 0 0 45.5420 19.2870 52.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 45.6410 20.6670 53.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 45.0610 18.8980 51.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 45.9020 18.3560 53.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 45.2910 21.6150 52.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 44.7090 19.8360 50.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 44.8250 21.1980 50.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 46.0000 21.0130 54.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 44.9620 17.8500 51.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 45.3810 22.6690 52.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 44.3440 19.5060 49.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 44.5560 21.9260 50.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 47.1370 19.6220 54.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 46.9530 18.1450 55.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 44.7930 16.8980 53.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 45.6130 16.4610 54.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 6 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 5 8 2 0 0 0 0 5 11 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 M CHG 1 1 1 M END $$$$ 830593 OpenBabel12061010053D 18 17 0 0 0 0 0 0 0 0999 V2000 43.8810 26.3120 45.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 47.0020 27.4120 44.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 45.0430 27.1590 43.5570 O 0 0 0 0 0 0 0 0 0 0 0 0 43.8840 23.7590 47.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 46.4360 29.2320 47.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 45.7050 22.6700 46.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 44.2820 29.0800 47.3380 O 0 0 0 0 0 0 0 0 0 0 0 0 45.2980 26.2700 45.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 45.8050 24.7150 45.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 45.5500 27.0060 47.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 45.8400 27.0160 44.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 45.0440 23.6420 46.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 45.4020 28.5790 47.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 45.8790 24.3410 44.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 46.8130 24.7470 46.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 46.5180 26.7240 47.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 44.8440 26.5790 47.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 43.8400 27.1700 45.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 18 1 0 0 0 0 2 11 2 0 0 0 0 3 11 1 0 0 0 0 4 12 2 0 0 0 0 5 13 2 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 M END $$$$ 830603 OpenBabel12061010053D 20 21 0 0 0 0 0 0 0 0999 V2000 9.0720 0.5490 23.7610 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 3.1900 23.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5100 -1.9090 25.0970 N 0 3 0 0 0 0 0 0 0 0 0 0 7.5500 -1.0320 27.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8950 2.5890 25.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4890 0.3310 25.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2650 2.2360 23.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4720 1.5570 26.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9560 3.9010 25.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1660 -0.9260 25.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3970 4.8430 24.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7650 4.4770 23.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1590 1.7080 27.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6680 4.1770 26.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4460 5.8810 25.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1120 5.2030 22.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0390 -1.6970 24.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3260 -2.8550 25.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4060 -0.1620 27.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2170 -1.8680 27.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 7 1 0 0 0 0 2 12 2 0 0 0 0 3 10 2 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 10 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 8 13 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 M CHG 1 3 1 M END $$$$ 830622 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 10.8330 -1.7790 44.7130 P 0 0 0 0 0 0 0 0 0 0 0 0 10.7130 -1.2990 43.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5030 -2.2830 37.8140 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4300 -1.8990 45.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5550 -0.6910 45.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5450 -3.0590 44.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5810 0.7640 39.5070 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7890 -3.9890 40.3380 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0760 -0.9390 41.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5830 -1.9650 40.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0860 -1.5240 38.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1180 -0.0900 38.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8990 -1.4160 42.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0670 0.3860 40.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6230 -3.3750 40.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7460 0.6100 37.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 M END $$$$ 830634 OpenBabel12061010053D 18 19 0 0 0 0 0 0 0 0999 V2000 43.0970 16.2920 1.8550 O 0 0 0 0 0 0 0 0 0 0 0 0 42.9630 15.4370 -0.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 46.0400 14.4980 5.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 45.8860 17.4300 5.9030 O 0 0 0 0 0 0 0 0 0 0 0 0 43.8620 17.1040 5.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 44.8250 15.1820 3.4270 N 0 0 0 0 0 0 0 0 0 0 0 0 45.8610 10.5720 2.1020 N 0 0 0 0 0 0 0 0 0 0 0 0 44.7280 14.0900 2.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 43.9300 14.1610 1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 45.2720 11.8150 2.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 44.4310 11.8710 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 45.4050 12.8920 2.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 43.7760 13.0240 0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 43.3000 15.4180 1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 45.4720 15.3870 4.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 44.5060 10.6040 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.4190 9.8590 1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 45.1660 16.7680 5.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 14 1 0 0 0 0 3 15 2 0 0 0 0 4 18 2 0 0 0 0 5 18 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 7 10 1 0 0 0 0 7 17 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 M END $$$$ 830647 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 26.6380 24.4750 24.7430 P 0 0 0 0 0 0 0 0 0 0 0 0 25.7450 24.1770 26.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9450 22.7700 29.9470 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8060 25.3050 23.8810 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9030 25.4080 25.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1250 23.1450 24.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3880 25.4540 30.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4990 21.2950 27.6980 N 0 0 0 0 0 0 0 0 0 0 0 0 25.1560 23.8610 28.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0210 23.0800 28.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0860 23.5130 29.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2950 24.6950 30.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1870 23.5490 27.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3130 25.0400 29.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7430 21.8020 27.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3400 25.1770 31.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 M END $$$$ 830666 OpenBabel12061010053D 21 21 0 0 0 0 0 0 0 0999 V2000 22.7360 4.8160 -9.9680 P 0 0 0 0 0 0 0 0 0 0 0 0 23.5410 5.5040 -11.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3160 8.2460 -15.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1630 3.5590 -10.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9230 5.9310 -9.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7830 4.4070 -8.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6790 12.8360 -12.9820 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6580 11.4870 -14.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6450 5.0320 -14.7580 N 0 0 0 0 0 0 0 0 0 0 0 0 24.3680 9.2060 -13.3950 N 0 0 0 0 0 0 0 0 0 0 0 0 24.8840 6.8760 -13.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2640 5.5980 -12.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4830 7.1310 -14.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3640 6.2190 -15.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1200 4.6980 -13.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7630 5.0650 -11.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9340 7.8740 -12.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4660 10.3030 -12.9270 C 0 0 2 0 0 0 0 0 0 0 0 0 27.1110 6.2820 -16.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9340 11.6590 -13.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4480 10.3170 -11.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 16 1 0 0 0 0 3 13 1 0 0 0 0 7 20 2 0 0 0 0 8 20 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 17 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 19 1 0 0 0 0 18 10 1 1 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 M END $$$$ 830674 OpenBabel12061010053D 24 26 0 0 0 0 0 0 0 0999 V2000 44.0670 41.5320 18.4580 P 0 0 0 0 0 0 0 0 0 0 0 0 43.6340 41.0810 14.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 41.6660 40.5350 11.9230 O 0 0 0 0 0 0 0 0 0 0 0 0 40.3010 40.0000 14.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 42.9790 41.5960 17.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 48.0970 41.8670 9.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 43.8260 40.3590 19.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 45.4070 41.4020 17.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 44.3880 42.9180 18.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 44.7730 41.0060 12.7150 N 0 0 0 0 0 0 0 0 0 0 0 0 46.8310 40.4360 12.1000 N 0 0 0 0 0 0 0 0 0 0 0 0 44.2850 42.7550 11.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 46.1450 43.0400 9.5810 N 0 0 0 0 0 0 0 0 0 0 0 0 44.2340 44.3100 9.3380 N 0 0 0 0 0 0 0 0 0 0 0 0 43.4780 41.1530 13.3430 C 0 0 1 0 0 0 0 0 0 0 0 0 45.0920 41.8230 11.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 42.4790 40.0600 12.9770 C 0 0 1 0 0 0 0 0 0 0 0 0 46.3550 41.4360 11.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 41.7200 39.7860 14.2980 C 0 0 1 0 0 0 0 0 0 0 0 0 42.3310 40.8110 15.2480 C 0 0 1 0 0 0 0 0 0 0 0 0 45.8650 40.2130 12.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 46.9670 42.0660 10.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 44.8760 43.3470 10.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 42.4880 40.4430 16.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 15 1 0 0 0 0 2 20 1 0 0 0 0 5 24 1 0 0 0 0 6 22 2 0 0 0 0 10 16 1 0 0 0 0 10 21 1 0 0 0 0 11 18 1 0 0 0 0 11 21 2 0 0 0 0 12 16 1 0 0 0 0 12 23 2 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 23 1 0 0 0 0 15 10 1 1 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 17 3 1 1 0 0 0 17 19 1 0 0 0 0 18 22 1 0 0 0 0 19 4 1 6 0 0 0 19 20 1 0 0 0 0 20 24 1 1 0 0 0 M END $$$$ 830678 OpenBabel12061010053D 15 16 0 0 0 0 0 0 0 0999 V2000 -40.2380 -8.5520 51.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 -39.6030 -10.6000 50.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 -38.4710 -9.8220 46.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 -42.7520 -9.1680 50.5080 N 0 0 0 0 0 0 0 0 0 0 0 0 -40.4990 -10.7360 46.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -40.4640 -9.5880 47.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -39.2420 -10.8540 46.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -39.2060 -9.0670 47.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -41.6100 -9.0900 48.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -41.5090 -11.6680 46.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -41.6830 -9.8310 49.7570 C 0 0 1 0 0 0 0 0 0 0 0 0 -38.9360 -11.8780 45.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -40.3420 -9.5950 50.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -41.2050 -12.6750 45.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -39.9300 -12.7880 44.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 13 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 12 1 0 0 0 0 10 14 2 0 0 0 0 11 9 1 1 0 0 0 11 4 1 0 0 0 0 11 13 1 0 0 0 0 12 15 2 0 0 0 0 14 15 1 0 0 0 0 M END $$$$ 830700 OpenBabel12061010053D 13 13 0 0 0 0 0 0 0 0999 V2000 34.9500 8.4770 29.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 36.3910 5.8610 31.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 38.6310 7.4200 30.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 38.5060 9.1110 28.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.1660 7.8930 27.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 32.9570 7.7820 30.8990 O 0 0 0 0 0 0 0 0 0 0 0 0 33.3680 5.6050 30.6870 O 0 0 0 0 0 0 0 0 0 0 0 0 35.0440 7.1790 29.8470 C 0 0 1 0 0 0 0 0 0 0 0 0 36.2700 7.1620 30.7980 C 0 0 2 0 0 0 0 0 0 0 0 0 37.5050 7.4600 29.9830 C 0 0 1 0 0 0 0 0 0 0 0 0 37.3630 8.8210 29.3260 C 0 0 2 0 0 0 0 0 0 0 0 0 36.1250 8.8100 28.4570 C 0 0 2 0 0 0 0 0 0 0 0 0 33.7100 6.9070 30.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 6 13 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 1 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 11 1 0 0 0 0 11 4 1 6 0 0 0 11 12 1 0 0 0 0 12 5 1 1 0 0 0 M END $$$$ 830738 OpenBabel12061010053D 13 12 0 0 0 0 0 0 0 0999 V2000 31.3640 23.7020 16.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4850 24.6420 18.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 30.4470 22.8060 18.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 33.1600 26.4580 15.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7840 22.9540 16.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 31.2940 27.5930 15.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4920 24.4120 15.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 30.7600 24.7070 16.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3230 24.0410 18.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6940 25.9130 17.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4620 25.2770 16.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1260 26.7670 16.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6130 24.1350 15.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 9 2 0 0 0 0 3 9 1 0 0 0 0 4 12 2 0 0 0 0 5 13 2 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 M END $$$$ 830747 OpenBabel12061010053D 35 37 0 0 0 0 0 0 0 0999 V2000 67.0460 53.4330 4.0580 S 0 0 0 0 0 0 0 0 0 0 0 0 61.4460 58.9090 -3.2920 P 0 0 0 0 0 0 0 0 0 0 0 0 65.9050 54.1780 4.8140 O 0 0 0 0 0 0 0 0 0 0 0 0 68.3760 53.7200 4.8180 O 0 0 0 0 0 0 0 0 0 0 0 0 66.7650 51.9210 4.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 69.9150 52.9860 2.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 71.1400 57.3750 1.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 68.0190 57.5960 -1.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 66.2040 59.8470 -0.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 63.9420 57.0830 -1.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 62.4880 59.4990 -2.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 60.2160 59.6020 -2.8740 O 0 0 0 0 0 0 0 0 0 0 0 0 61.4850 57.4550 -3.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 61.9900 59.3270 -4.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 67.1520 53.9880 2.2650 N 0 0 0 0 0 0 0 0 0 0 0 0 66.6520 56.0770 0.7680 N 0 0 0 0 0 0 0 0 0 0 0 0 69.0080 56.7370 1.1990 N 0 0 0 0 0 0 0 0 0 0 0 0 70.5080 55.1430 2.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 68.2350 54.6330 1.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 66.1110 53.8420 1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 67.9540 55.8680 1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 65.7060 55.0300 0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 69.5580 54.1330 2.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 65.3210 52.7410 1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 64.4410 55.1590 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 66.3230 57.2780 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 64.0500 52.8750 0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 63.6180 54.0770 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 70.2900 56.4850 1.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 66.6250 57.4510 -1.1160 C 0 0 1 0 0 0 0 0 0 0 0 0 65.8750 58.6410 -1.6560 C 0 0 1 0 0 0 0 0 0 0 0 0 63.1380 51.6780 0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 62.2910 54.1830 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 64.4030 58.4000 -1.5820 C 0 0 1 0 0 0 0 0 0 0 0 0 63.8700 59.4300 -2.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 15 1 0 0 0 0 2 11 1 0 0 0 0 2 12 2 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 6 23 2 0 0 0 0 7 29 2 0 0 0 0 11 35 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 16 26 1 0 0 0 0 17 21 1 0 0 0 0 17 29 1 0 0 0 0 18 23 1 0 0 0 0 18 29 1 0 0 0 0 19 21 2 0 0 0 0 19 23 1 0 0 0 0 20 22 1 0 0 0 0 20 24 2 0 0 0 0 22 25 2 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 27 28 2 0 0 0 0 27 32 1 0 0 0 0 28 33 1 0 0 0 0 30 26 1 1 0 0 0 30 8 1 0 0 0 0 30 31 1 0 0 0 0 31 9 1 1 0 0 0 31 34 1 0 0 0 0 34 10 1 6 0 0 0 34 35 1 0 0 0 0 M END $$$$ 830765 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 61.4650 8.8380 51.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 59.0270 11.7440 50.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 61.5440 12.2250 51.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 60.3190 7.5610 50.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 64.2080 9.0410 51.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 56.5620 9.8290 52.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 57.9000 9.1540 50.5270 N 0 0 0 0 0 0 0 0 0 0 0 0 59.1250 9.6540 51.1570 C 0 0 2 0 0 0 0 0 0 0 0 0 59.8670 10.6230 50.2750 C 0 0 2 0 0 0 0 0 0 0 0 0 61.0050 10.9560 51.2300 C 0 0 1 0 0 0 0 0 0 0 0 0 60.1050 8.5030 51.3120 C 0 0 2 0 0 0 0 0 0 0 0 0 62.0200 9.8450 50.8250 C 0 0 1 0 0 0 0 0 0 0 0 0 63.3610 10.2040 51.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 56.6730 9.3090 51.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 55.5440 8.7700 50.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 8 7 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 4 1 6 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 830792 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 37.1090 64.4550 -9.0310 P 0 0 0 0 0 0 0 0 0 0 0 0 38.0670 65.1550 -11.7130 P 0 0 0 0 0 0 0 0 0 0 0 0 33.5000 61.9300 -8.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 35.9030 63.4660 -8.7910 O 0 0 0 0 0 0 0 0 0 0 0 0 37.1300 64.5570 -10.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 34.5200 62.5200 -4.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 32.8120 64.1350 -6.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 36.7840 65.7660 -8.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 38.3440 63.8160 -8.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 39.1190 65.8880 -11.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 38.4980 64.0930 -12.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 37.1500 66.1550 -12.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 34.7480 60.2780 -7.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 36.5090 59.0280 -7.6450 N 0 0 0 0 0 0 0 0 0 0 0 0 33.1090 58.5660 -6.7230 N 0 0 0 0 0 0 0 0 0 0 0 0 33.9720 56.3600 -7.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 36.2430 55.9360 -7.7060 N 0 0 0 0 0 0 0 0 0 0 0 0 33.9160 61.4500 -6.8410 C 0 0 1 0 0 0 0 0 0 0 0 0 34.3410 59.0020 -7.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6530 62.5890 -6.1570 C 0 0 1 0 0 0 0 0 0 0 0 0 33.6360 63.3660 -8.1470 C 0 0 1 0 0 0 0 0 0 0 0 0 33.9720 63.8120 -6.7290 C 0 0 1 0 0 0 0 0 0 0 0 0 35.4070 58.2450 -7.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 36.0760 60.2150 -7.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 34.5880 63.8300 -9.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2280 56.8300 -7.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9860 57.2430 -6.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 18 13 1 6 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 6 1 1 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 1 0 0 0 22 7 1 1 0 0 0 23 26 2 0 0 0 0 M END $$$$ 830797 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 54.8070 72.6200 58.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 51.4870 75.0540 57.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 51.5760 72.4000 56.9360 O 0 0 0 0 0 0 0 0 0 0 0 0 53.9490 72.9910 60.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 53.7500 71.3620 55.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 53.0840 75.5830 60.2240 N 0 0 0 0 0 0 0 0 0 0 0 0 52.3100 74.0440 58.5220 C 0 0 1 0 0 0 0 0 0 0 0 0 52.7300 73.0390 57.4660 C 0 0 1 0 0 0 0 0 0 0 0 0 53.5320 74.6940 59.1640 C 0 0 2 0 0 0 0 0 0 0 0 0 53.6620 71.9880 58.0740 C 0 0 1 0 0 0 0 0 0 0 0 0 54.4790 73.6070 59.7050 C 0 0 2 0 0 0 0 0 0 0 0 0 54.2080 71.0110 57.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 5 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 6 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 4 1 6 0 0 0 M END $$$$ 830799 OpenBabel12061010053D 14 14 0 0 0 0 0 0 0 0999 V2000 58.8470 63.8120 58.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 56.8950 60.8440 59.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 58.1440 59.9940 56.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 60.1780 61.8950 56.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 57.4300 64.2490 56.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 59.4760 63.1720 60.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 58.5000 65.3160 61.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 57.8810 63.0550 58.7970 C 0 0 1 0 0 0 0 0 0 0 0 0 57.9760 61.5560 58.4370 C 0 0 2 0 0 0 0 0 0 0 0 0 57.8660 61.3690 56.9030 C 0 0 1 0 0 0 0 0 0 0 0 0 58.8450 62.3040 56.1680 C 0 0 1 0 0 0 0 0 0 0 0 0 58.6720 63.7480 56.6360 C 0 0 2 0 0 0 0 0 0 0 0 0 58.0990 63.3260 60.2800 C 0 0 2 0 0 0 0 0 0 0 0 0 57.6520 64.7530 60.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 7 14 1 0 0 0 0 8 1 1 1 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 11 1 0 0 0 0 11 4 1 1 0 0 0 11 12 1 0 0 0 0 12 5 1 1 0 0 0 13 6 1 6 0 0 0 13 14 1 0 0 0 0 M END $$$$ 830806 OpenBabel12061010053D 8 7 0 0 0 0 0 0 0 0999 V2000 57.3860 59.7260 59.9510 P 0 0 0 0 0 0 0 0 0 0 0 0 56.5370 59.6720 61.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 57.2280 58.4510 59.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 56.8950 60.8440 59.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 58.7930 59.9830 60.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 55.7970 61.3400 64.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 56.7350 60.8490 61.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 55.4810 61.1480 62.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 7 1 0 0 0 0 6 8 1 0 0 0 0 7 8 1 0 0 0 0 M END $$$$ 830813 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 50.2790 55.0020 57.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 49.1790 52.8950 54.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 47.8510 53.6810 56.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 51.7430 52.6100 55.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 52.0160 55.2340 56.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 48.8130 57.1290 58.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 49.7210 53.8870 55.1250 C 0 0 1 0 0 0 0 0 0 0 0 0 48.6240 54.6110 55.9620 C 0 0 2 0 0 0 0 0 0 0 0 0 50.7160 53.2410 56.0560 C 0 0 2 0 0 0 0 0 0 0 0 0 49.2560 55.6370 56.9260 C 0 0 1 0 0 0 0 0 0 0 0 0 51.3110 54.3450 56.9740 C 0 0 2 0 0 0 0 0 0 0 0 0 48.2260 56.2290 57.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 6 0 0 0 M END $$$$ 830827 OpenBabel12061010053D 6 5 0 0 0 0 0 0 0 0999 V2000 33.7700 47.0580 105.1090 S 0 0 0 0 0 0 0 0 0 0 0 0 35.2630 46.8080 102.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 36.2430 49.0210 100.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 35.2410 48.1540 102.8960 C 0 0 1 0 0 0 0 0 0 0 0 0 35.2500 48.1470 104.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 36.4180 48.9490 102.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 3 6 1 0 0 0 0 4 2 1 1 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 M END $$$$ 830834 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 16.6170 93.9540 84.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2520 95.2050 85.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4720 94.4240 82.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6280 91.4030 83.8840 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9690 96.4830 87.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7980 96.9170 85.9320 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6820 95.1700 85.8310 N 0 0 0 0 0 0 0 0 0 0 0 0 17.8850 95.5390 85.4900 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0660 95.3750 84.5570 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8790 94.1280 83.6000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6240 95.2540 84.8140 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4290 93.7520 83.2360 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2530 92.2900 82.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3720 97.2820 87.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2400 98.7630 87.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 830839 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 26.7020 108.6520 88.5640 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3930 111.1970 89.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0270 112.2500 89.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9310 108.4460 89.4260 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2830 106.9580 87.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6350 109.8910 91.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5200 110.5840 88.4160 C 0 0 1 0 0 0 0 0 0 0 0 0 25.7630 110.8440 89.2670 C 0 0 1 0 0 0 0 0 0 0 0 0 24.3260 109.0680 88.1930 C 0 0 1 0 0 0 0 0 0 0 0 0 27.0310 110.0690 88.8240 C 0 0 1 0 0 0 0 0 0 0 0 0 25.5990 108.3780 87.6520 C 0 0 1 0 0 0 0 0 0 0 0 0 28.1250 110.1980 89.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 830863 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 50.2080 22.5610 36.3880 P 0 0 0 0 0 0 0 0 0 0 0 0 50.3010 23.3490 37.7980 O 0 0 0 0 0 0 0 0 0 0 0 0 52.5270 22.6980 43.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 50.3230 23.5820 35.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 48.9570 21.8120 36.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 51.4160 21.6210 36.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 51.6870 25.8700 41.4580 N 0 0 0 0 0 0 0 0 0 0 0 0 51.4030 20.8470 40.8280 N 0 0 0 0 0 0 0 0 0 0 0 0 51.6510 24.2940 39.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 52.0120 23.1880 40.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 52.2010 23.5310 42.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 52.0460 24.9310 42.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 51.5390 23.9400 38.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 51.4880 25.5900 40.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 52.1580 21.7980 40.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 52.2790 25.5170 43.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 M END $$$$ 830876 OpenBabel12061010053D 5 5 0 0 0 0 0 0 0 0999 V2000 36.1250 18.8110 -24.3780 S 0 3 0 0 0 0 0 0 0 0 0 0 36.0090 18.6790 -25.1380 S 0 3 0 0 0 0 0 0 0 0 0 0 34.8560 21.9810 -23.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 35.1410 20.2360 -24.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7760 21.0340 -23.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 M CHG 2 1 1 2 1 M END $$$$ 830908 OpenBabel12061010053D 23 24 0 0 0 0 0 0 0 0999 V2000 2.3250 96.7960 37.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5200 94.5440 38.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3610 99.3090 39.7050 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2990 98.3080 35.8160 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 96.1270 35.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 94.5710 35.8180 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 100.9810 36.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 93.8750 38.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0940 101.0590 39.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4150 97.7220 41.9310 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 93.9420 41.3280 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3950 97.7180 38.1340 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6480 95.4740 37.5670 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2000 98.8470 37.1250 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7260 95.1280 36.3940 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3680 98.3040 39.5560 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2820 95.0160 36.9050 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2880 99.9050 37.3480 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2500 93.9860 38.0350 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1950 94.4170 39.1450 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2950 100.3890 38.7990 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6570 97.2380 40.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 93.3940 40.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 2 13 1 0 0 0 0 2 20 1 0 0 0 0 3 16 1 0 0 0 0 3 21 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 1 1 1 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 1 1 1 0 0 0 13 15 1 0 0 0 0 14 4 1 6 0 0 0 14 18 1 0 0 0 0 15 5 1 1 0 0 0 15 17 1 0 0 0 0 16 22 1 6 0 0 0 17 6 1 6 0 0 0 17 19 1 0 0 0 0 18 7 1 1 0 0 0 18 21 1 0 0 0 0 19 8 1 1 0 0 0 19 20 1 0 0 0 0 20 23 1 6 0 0 0 21 9 1 6 0 0 0 M END $$$$ 830919 OpenBabel12061010053D 23 24 0 0 0 0 0 0 0 0999 V2000 -2.8060 42.3840 12.4090 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4880 43.6360 13.4390 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 43.8860 11.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 42.8700 14.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8350 41.3560 10.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5630 41.4450 11.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 43.0460 14.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1840 43.8540 13.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 44.5890 12.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 44.8600 10.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9580 44.0060 16.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 43.1720 12.4460 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0590 43.0330 12.2220 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7420 42.7430 13.6780 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1390 41.9280 11.8480 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7580 43.0880 11.1300 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6030 42.5000 11.8480 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5970 43.5440 13.7080 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8940 43.2430 13.1870 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7710 44.2840 13.4930 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2970 43.5910 12.3240 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5490 43.5920 9.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8720 44.8630 14.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 2 13 1 0 0 0 0 2 20 1 0 0 0 0 3 16 1 0 0 0 0 3 21 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 1 1 6 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 1 1 1 0 0 0 13 15 1 0 0 0 0 14 4 1 1 0 0 0 14 18 1 0 0 0 0 15 5 1 6 0 0 0 15 17 1 0 0 0 0 16 22 1 1 0 0 0 17 6 1 1 0 0 0 17 19 1 0 0 0 0 18 7 1 6 0 0 0 18 21 1 0 0 0 0 19 8 1 6 0 0 0 19 20 1 0 0 0 0 20 23 1 1 0 0 0 21 9 1 1 0 0 0 M END $$$$ 830921 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 17.5690 135.3200 3.6710 P 0 0 0 0 0 0 0 0 0 0 0 0 18.3440 134.9770 2.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3600 136.1300 3.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1670 134.0650 4.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4710 136.0950 4.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8990 131.7330 1.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6040 133.1640 -1.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7500 134.0870 1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5630 132.8090 1.1660 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7220 132.5260 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 8 1 0 0 0 0 7 10 1 0 0 0 0 9 8 1 6 0 0 0 9 6 1 0 0 0 0 9 10 1 0 0 0 0 M END $$$$ 830922 OpenBabel12061010053D 34 36 0 0 0 0 0 0 0 0999 V2000 4.6030 47.2010 8.7180 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 44.5660 11.9230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 43.9250 10.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7170 42.2060 12.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3070 43.3600 13.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3970 44.0830 10.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 42.7650 14.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 43.2580 14.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 46.4550 9.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6140 41.3540 10.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2900 41.3260 11.4140 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8600 43.8200 12.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2570 46.2700 10.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 44.6980 9.7480 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 41.8050 10.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8880 43.7870 15.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 43.1020 12.1520 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2000 43.5680 11.9300 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6710 42.6780 13.2860 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5360 43.6400 13.3070 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0820 44.5000 10.7960 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8340 43.0390 10.8360 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9740 42.8450 12.0010 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2920 45.9330 10.2770 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4080 44.0060 11.3400 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9930 41.7900 11.6230 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3110 45.9150 9.1470 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3940 42.4120 11.6570 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6560 43.0680 13.0410 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5140 44.0920 13.2890 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5770 45.3280 9.6990 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6430 43.3880 9.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 42.5570 11.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6450 44.7990 14.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 3 18 1 0 0 0 0 3 22 1 0 0 0 0 5 23 1 0 0 0 0 5 30 1 0 0 0 0 6 25 1 0 0 0 0 6 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 4 1 6 0 0 0 17 19 1 0 0 0 0 17 22 1 0 0 0 0 18 2 1 1 0 0 0 18 20 1 0 0 0 0 19 7 1 1 0 0 0 19 20 1 0 0 0 0 20 8 1 6 0 0 0 21 2 1 1 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 22 32 1 1 0 0 0 23 4 1 1 0 0 0 23 26 1 0 0 0 0 24 9 1 6 0 0 0 24 27 1 0 0 0 0 25 33 1 6 0 0 0 26 10 1 6 0 0 0 26 28 1 0 0 0 0 27 1 1 1 0 0 0 27 31 1 0 0 0 0 28 11 1 1 0 0 0 28 29 1 0 0 0 0 29 12 1 6 0 0 0 29 30 1 0 0 0 0 30 34 1 1 0 0 0 31 13 1 1 0 0 0 M END $$$$ 830974 OpenBabel12061010053D 14 13 0 0 0 0 0 0 0 0999 V2000 54.6330 78.8790 55.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 52.7630 77.8180 54.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 53.3910 78.9580 55.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 52.6440 79.3720 56.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 51.3120 80.0830 56.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 51.4870 81.1840 55.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 50.2900 82.1160 54.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 50.3750 82.8720 53.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 49.2860 83.9270 53.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 49.2870 84.5210 52.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 48.3690 85.7360 51.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 48.3470 86.2450 50.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 47.6060 87.5660 50.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 47.6850 88.0890 48.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 M END $$$$ 830984 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 28.4720 36.2830 35.8690 S 0 0 0 0 0 0 0 0 0 0 0 0 28.2070 33.8110 36.9370 O 0 0 0 0 0 0 0 0 0 0 0 0 29.9160 34.6990 40.5210 O 0 0 0 0 0 0 0 0 0 0 0 0 31.0830 35.5760 38.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9960 32.4360 39.8390 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7250 35.2080 36.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4740 34.2310 39.2650 C 0 0 1 0 0 0 0 0 0 0 0 0 28.0140 33.7900 39.3760 C 0 0 1 0 0 0 0 0 0 0 0 0 29.7000 35.3050 38.1940 C 0 0 2 0 0 0 0 0 0 0 0 0 27.2770 33.8870 38.0390 C 0 0 1 0 0 0 0 0 0 0 0 0 29.1520 34.8890 36.8170 C 0 0 2 0 0 0 0 0 0 0 0 0 26.4270 35.1570 37.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 6 12 1 0 0 0 0 7 3 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 5 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 1 1 1 0 0 0 M END $$$$ 830990 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 -0.8700 49.2630 52.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 51.7410 49.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 52.1160 52.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 50.2140 49.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 47.6940 51.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 51.0940 53.7100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 50.6940 50.2300 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3790 51.2650 51.5870 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1560 49.6110 49.7420 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1080 50.1450 52.5890 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4690 48.5970 50.8460 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4280 50.7150 53.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 1 0 0 0 M END $$$$ 831007 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 54.0740 56.0420 54.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 51.2240 58.8310 53.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 51.3610 57.9210 56.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 53.6750 58.7060 52.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 55.4920 57.8630 54.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 52.5900 54.2920 55.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 52.4300 58.3480 54.2260 C 0 0 1 0 0 0 0 0 0 0 0 0 52.0670 57.2980 55.2610 C 0 0 1 0 0 0 0 0 0 0 0 0 53.2660 57.7130 53.1240 C 0 0 2 0 0 0 0 0 0 0 0 0 53.3190 56.5960 55.7900 C 0 0 1 0 0 0 0 0 0 0 0 0 54.4850 56.9720 53.6870 C 0 0 2 0 0 0 0 0 0 0 0 0 52.9720 55.4190 56.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 1 0 0 0 M END $$$$ 831107 OpenBabel12061010053D 6 5 0 0 0 0 0 0 0 0999 V2000 61.6380 6.4020 8.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 60.9320 4.4840 7.6970 N 0 0 0 0 0 0 0 0 0 0 0 0 61.7290 5.1770 8.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 62.2210 4.2630 9.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 63.4440 4.6920 10.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 63.7980 3.8780 11.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 M END $$$$ 831159 OpenBabel12061010053D 37 44 0 0 0 0 0 0 0 0999 V2000 23.3750 15.9610 13.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3410 13.9230 12.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6180 12.0480 19.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1040 15.9140 13.7440 N 0 0 0 0 0 0 0 0 0 0 0 0 23.6140 14.1280 14.7300 N 0 0 0 0 0 0 0 0 0 0 0 0 19.6180 13.0080 18.7730 N 0 0 0 0 0 0 0 0 0 0 0 0 23.1590 13.8450 9.7550 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2730 15.0920 14.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4230 14.2930 15.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0770 15.0410 15.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3470 13.4720 16.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1040 16.1070 12.6680 C 0 0 2 0 0 0 0 0 0 0 0 0 21.2010 13.5120 17.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0970 14.2770 16.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8120 16.3980 13.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2500 15.8610 15.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6380 12.8610 16.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3880 13.2480 15.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0370 14.7320 13.4730 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9470 15.1070 11.5360 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8780 12.7790 18.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3370 14.6780 11.0130 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0440 14.0620 17.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1180 13.9010 12.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0760 17.1810 12.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8770 16.1720 15.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9930 17.5280 12.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1790 11.9320 17.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6730 12.7560 15.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7220 17.4930 13.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1180 16.9970 14.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4470 11.4420 17.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2610 11.8350 16.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9850 13.7880 11.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4090 13.3920 9.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0200 12.4650 19.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5840 13.0390 9.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 34 1 0 0 0 0 3 21 2 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 5 9 1 0 0 0 0 5 18 1 0 0 0 0 6 21 1 0 0 0 0 6 23 1 0 0 0 0 6 36 1 0 0 0 0 7 35 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 11 2 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 20 1 0 0 0 0 12 27 1 6 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 14 23 1 0 0 0 0 15 16 2 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 18 2 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 19 5 1 6 0 0 0 19 1 1 0 0 0 0 19 24 1 0 0 0 0 20 2 1 1 0 0 0 20 22 1 0 0 0 0 22 7 1 1 0 0 0 22 24 1 0 0 0 0 25 30 2 0 0 0 0 26 31 2 0 0 0 0 28 32 2 0 0 0 0 29 33 2 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 M END $$$$ 831162 OpenBabel12061010053D 22 23 0 0 0 0 0 0 0 0999 V2000 -8.6920 45.5060 15.8920 P 0 0 0 0 0 0 0 0 0 0 0 0 -12.4890 44.4560 17.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5860 45.5800 17.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.8850 45.7980 15.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.6660 47.9350 16.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8330 46.8530 15.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3220 44.3470 15.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2230 45.2510 16.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.4170 40.5690 19.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.1490 40.2290 21.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.4750 43.7700 18.7810 N 0 3 0 0 0 0 0 0 0 0 0 0 -13.9870 44.2410 17.3790 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.5640 45.6150 16.7670 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.1820 45.6960 16.9520 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.4960 46.5550 17.2900 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.8330 46.3390 17.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2530 42.5710 18.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1070 44.5600 19.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6490 42.1670 20.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5120 44.1520 21.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2630 42.9860 21.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4720 40.9020 20.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 16 1 0 0 0 0 9 22 2 0 0 0 0 10 22 1 0 0 0 0 11 17 1 0 0 0 0 11 18 2 0 0 0 0 12 11 1 1 0 0 0 12 13 1 0 0 0 0 13 4 1 6 0 0 0 13 15 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 1 0 0 0 15 5 1 6 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 M CHG 1 11 1 M END $$$$ 831188 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 19.2660 31.3330 15.1000 P 0 0 0 0 0 0 0 0 0 0 0 0 17.3780 29.7220 16.6690 P 0 0 0 0 0 0 0 0 0 0 0 0 20.4780 34.7860 17.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8560 32.8000 15.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8640 30.8640 15.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6520 37.9380 17.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1930 35.8240 19.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3770 31.2530 16.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2640 32.1640 13.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9480 30.3860 17.9270 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6450 28.7470 16.8740 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2540 28.9230 16.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2840 36.9390 16.3810 N 0 0 0 0 0 0 0 0 0 0 0 0 22.1800 37.6650 14.5100 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7870 38.1610 17.9160 N 0 0 0 0 0 0 0 0 0 0 0 0 24.4030 39.4720 16.8710 N 0 0 0 0 0 0 0 0 0 0 0 0 24.5520 39.5920 14.5310 N 0 0 0 0 0 0 0 0 0 0 0 0 20.4050 36.2290 17.3700 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2780 37.7470 16.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9650 36.6290 17.2770 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2320 34.2620 17.8060 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3190 35.4930 18.0610 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8600 38.2160 15.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2150 36.8810 15.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5480 33.0420 17.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9480 39.1030 15.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8290 39.0070 18.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 18 13 1 6 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 6 1 1 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 6 0 0 0 22 7 1 1 0 0 0 23 26 2 0 0 0 0 M END $$$$ 831242 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 47.7720 24.7240 5.6190 S 0 0 0 0 0 0 0 0 0 0 0 0 47.3410 25.0720 4.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 48.5430 23.5540 5.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 48.6380 26.0610 6.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 40.6230 22.1520 11.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 45.2910 24.5690 8.8660 N 0 0 0 0 0 0 0 0 0 0 0 0 43.7200 23.6940 11.2430 N 0 0 0 0 0 0 0 0 0 0 0 0 46.2580 24.8220 6.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 46.5480 24.4780 8.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 44.5000 23.2880 8.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 45.6380 24.9640 10.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 43.3380 23.3020 9.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 44.4150 25.0400 11.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 42.5440 23.7160 12.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 41.8700 22.3330 12.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 M END $$$$ 831251 OpenBabel12061010053D 21 24 0 0 0 0 0 0 0 0999 V2000 5.2820 65.5770 62.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6380 62.7650 62.4170 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3410 66.7380 59.8510 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 66.6580 66.5300 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6940 66.9260 63.5830 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5750 65.4630 63.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0990 66.9120 62.8380 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5190 64.7850 63.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 64.7940 64.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 67.3160 62.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8360 67.8410 64.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6650 63.3810 63.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2170 68.0400 61.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8420 63.3810 64.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 65.5870 65.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0980 67.8980 60.6740 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8030 62.6750 64.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 67.7540 61.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5880 67.9390 65.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 66.9580 67.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8720 61.3440 62.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 12 1 0 0 0 0 2 21 1 0 0 0 0 4 15 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 1 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 1 1 6 0 0 0 7 13 1 0 0 0 0 8 12 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 18 2 0 0 0 0 11 19 1 0 0 0 0 12 17 2 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 16 3 1 1 0 0 0 16 18 1 0 0 0 0 M END $$$$ 831265 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 20.7450 67.1800 83.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2490 68.7520 84.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9640 68.6760 82.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4580 66.8170 85.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6390 67.0840 85.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3810 67.9720 79.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9650 68.7440 84.2740 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0590 67.9990 82.9150 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9240 68.0590 85.1970 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6460 67.8880 82.2620 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5620 67.8390 84.4420 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6430 67.1130 80.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 831288 OpenBabel12061010053D 14 14 0 0 0 0 0 0 0 0999 V2000 25.1320 28.0310 35.9770 P 0 0 0 0 0 0 0 0 0 0 0 0 27.2740 30.6410 38.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2140 28.6040 37.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 29.7260 28.6870 37.9590 O 0 0 0 0 0 0 0 0 0 0 0 0 30.5840 30.7910 39.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0420 28.7600 35.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7380 28.1520 35.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5560 26.4880 36.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5630 32.2820 39.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5860 29.1310 38.5370 C 0 0 1 0 0 0 0 0 0 0 0 0 28.8220 29.0700 39.1240 C 0 0 2 0 0 0 0 0 0 0 0 0 29.2050 30.4620 39.6370 C 0 0 2 0 0 0 0 0 0 0 0 0 28.2350 31.4400 38.9160 C 0 0 1 0 0 0 0 0 0 0 0 0 26.4650 28.1070 38.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 1 0 0 0 11 4 1 6 0 0 0 11 12 1 0 0 0 0 12 5 1 6 0 0 0 12 13 1 0 0 0 0 13 9 1 1 0 0 0 M END $$$$ 831305 OpenBabel12061010053D 19 20 0 0 0 0 0 0 0 0999 V2000 87.6940 26.0060 37.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 89.1100 27.5840 38.7970 O 0 0 0 0 0 0 0 0 0 0 0 0 86.4410 29.2160 37.5320 O 0 0 0 0 0 0 0 0 0 0 0 0 87.9160 28.1690 34.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 86.2470 24.7380 35.5320 O 0 0 0 0 0 0 0 0 0 0 0 0 90.4950 24.5760 44.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 92.3380 24.4930 43.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 91.1660 24.8470 43.0680 N 0 0 0 0 0 0 0 0 0 0 0 0 87.7680 27.2900 38.3370 C 0 0 1 0 0 0 0 0 0 0 0 0 87.4910 28.3040 37.2350 C 0 0 1 0 0 0 0 0 0 0 0 0 87.3230 27.5000 35.9650 C 0 0 2 0 0 0 0 0 0 0 0 0 88.0080 26.1910 36.3520 C 0 0 2 0 0 0 0 0 0 0 0 0 89.5830 26.8740 39.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 87.5100 24.9580 35.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 90.6290 25.5180 42.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 90.8690 26.4750 39.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 88.8210 26.5860 41.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 91.3870 25.7990 40.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 89.3440 25.9120 42.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 13 1 0 0 0 0 5 14 1 0 0 0 0 6 8 2 0 0 0 0 7 8 2 0 0 0 0 8 15 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 11 1 0 0 0 0 11 4 1 1 0 0 0 11 12 1 0 0 0 0 12 14 1 1 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 M END $$$$ 831341 OpenBabel12061010053D 15 14 0 0 0 0 0 0 0 0999 V2000 24.7320 -14.3330 18.7160 P 0 0 0 0 0 0 0 0 0 0 0 0 18.0480 -17.0210 17.3440 P 0 0 0 0 0 0 0 0 0 0 0 0 23.7460 -15.6610 18.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7830 -14.2950 17.5170 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4220 -14.2440 20.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7630 -12.9940 18.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6900 -15.5970 17.9570 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5300 -17.1150 15.8310 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3740 -18.2150 18.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5700 -16.9470 19.5170 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6630 -17.6380 17.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3680 -17.1770 18.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9650 -17.3890 18.8500 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7390 -17.2250 17.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6460 -16.0550 19.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 7 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 14 1 0 0 0 0 3 15 1 0 0 0 0 10 12 2 0 0 0 0 12 14 1 0 0 0 0 13 12 1 6 0 0 0 13 11 1 0 0 0 0 13 15 1 0 0 0 0 M END $$$$ 831343 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 0.2030 4.5520 -3.5060 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2870 3.1900 -1.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4740 5.2390 -2.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4530 4.8150 -4.4340 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7660 2.7620 -1.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4290 3.8770 -2.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9930 3.7200 -3.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0220 3.2660 -2.3810 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1290 2.4990 -4.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9080 4.1360 -2.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0150 4.7250 -5.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6530 2.4000 -5.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1350 3.5190 -6.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 3.5620 -2.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 5.1960 -2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 6 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 11 2 0 0 0 0 6 7 1 0 0 0 0 7 9 2 0 0 0 0 8 6 1 1 0 0 0 8 5 1 0 0 0 0 8 10 1 0 0 0 0 9 12 1 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 12 13 2 0 0 0 0 M END $$$$ 831364 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 -50.6870 -71.4720 -5.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 -53.8970 -72.9150 -6.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 -50.6880 -71.7830 -8.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 -52.7810 -73.0090 -4.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 -49.8590 -73.5300 -4.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 -53.1540 -68.9680 -5.8250 O 0 0 0 0 0 0 0 0 0 0 0 0 -52.4580 -72.9620 -6.9900 C 0 0 1 0 0 0 0 0 0 0 0 0 -51.8560 -71.5870 -7.3430 C 0 0 1 0 0 0 0 0 0 0 0 0 -51.9400 -73.4560 -5.6440 C 0 0 1 0 0 0 0 0 0 0 0 0 -51.5150 -70.7380 -6.0990 C 0 0 1 0 0 0 0 0 0 0 0 0 -50.5680 -72.8640 -5.4660 C 0 0 1 0 0 0 0 0 0 0 0 0 -52.7300 -70.2370 -5.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 831420 OpenBabel12061010053D 26 28 0 0 0 0 0 0 0 0999 V2000 22.2180 -6.5660 16.0590 S 0 0 0 0 0 0 0 0 0 0 0 0 22.4130 -7.0940 12.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5820 -10.1160 11.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6290 -8.2440 13.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9920 -2.5960 19.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1390 -4.6440 18.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3640 -8.0690 10.1700 N 0 0 0 0 0 0 0 0 0 0 0 0 24.0100 -8.5600 8.6990 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7120 -7.0700 8.5690 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5370 -7.0660 6.2960 N 0 0 0 0 0 0 0 0 0 0 0 0 23.6580 -7.9000 5.6510 N 0 0 0 0 0 0 0 0 0 0 0 0 20.0130 -2.2990 16.5700 N 0 0 0 0 0 0 0 0 0 0 0 0 21.6340 -7.9080 11.2810 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9120 -7.6460 8.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4890 -9.1000 12.2270 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9240 -7.9650 8.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0380 -8.3710 13.5600 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7040 -7.0200 13.4300 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6220 -8.5860 9.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7450 -7.6510 6.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8840 -6.7290 14.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5770 -6.7890 7.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2220 -5.0650 15.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4330 -4.7280 16.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3300 -3.6410 16.8820 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7780 -3.5880 18.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 23 1 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 5 26 2 0 0 0 0 6 26 1 0 0 0 0 7 14 1 0 0 0 0 7 19 1 0 0 0 0 8 16 1 0 0 0 0 8 19 2 0 0 0 0 9 14 2 0 0 0 0 9 22 1 0 0 0 0 10 20 1 0 0 0 0 10 22 2 0 0 0 0 11 20 1 0 0 0 0 13 7 1 1 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 3 1 6 0 0 0 15 17 1 0 0 0 0 16 20 2 0 0 0 0 17 4 1 6 0 0 0 17 18 1 0 0 0 0 18 21 1 1 0 0 0 23 24 1 0 0 0 0 25 24 1 1 0 0 0 25 12 1 0 0 0 0 25 26 1 0 0 0 0 M END $$$$ 831443 OpenBabel12061010053D 23 23 0 0 0 0 0 0 0 0999 V2000 39.3120 -22.4680 4.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 38.7010 -21.9130 1.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 41.8950 -22.1560 4.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 40.6710 -21.2560 -0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 42.6710 -21.6320 2.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 40.2220 -22.0840 3.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 39.9090 -21.8400 2.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 41.6110 -21.9820 3.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 42.3370 -21.3810 1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 40.9510 -21.4760 1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.1360 -21.6290 3.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 43.3540 -20.9750 0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 44.5730 -20.3880 3.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 45.7020 -20.0790 4.5920 C 0 0 1 0 0 0 0 0 0 0 0 0 39.3140 -23.7250 4.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.4530 -22.1870 1.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 45.9800 -18.6360 4.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 46.7760 -21.0480 5.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 46.1730 -17.6790 3.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 47.3230 -17.9240 2.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 48.0060 -17.0510 2.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 47.6980 -15.5430 1.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 49.1990 -17.4880 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 15 1 0 0 0 0 2 7 1 0 0 0 0 2 16 1 0 0 0 0 3 8 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 5 9 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 10 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 11 13 1 0 0 0 0 14 13 1 1 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 M END $$$$ 831453 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 67.1680 57.5330 34.9530 S 0 3 2 0 0 0 0 0 0 0 0 0 69.4810 59.4660 35.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 68.9290 62.5870 35.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 66.5580 61.2830 36.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 61.7380 57.5990 37.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 62.2230 58.7780 35.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 70.1380 60.6220 33.0730 N 0 0 0 0 0 0 0 0 0 0 0 0 70.0910 59.8680 31.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 71.7100 62.4500 32.6500 N 0 0 0 0 0 0 0 0 0 0 0 0 72.4190 62.6120 30.4430 N 0 0 0 0 0 0 0 0 0 0 0 0 71.6630 61.0990 28.8510 N 0 0 0 0 0 0 0 0 0 0 0 0 62.9330 56.0610 34.8540 N 0 0 0 0 0 0 0 0 0 0 0 0 69.8600 60.7780 34.5130 C 0 0 1 0 0 0 0 0 0 0 0 0 70.9420 61.3810 32.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 68.6370 61.6880 34.7770 C 0 0 1 0 0 0 0 0 0 0 0 0 70.9070 60.9020 31.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 67.6020 60.6920 35.2310 C 0 0 1 0 0 0 0 0 0 0 0 0 68.4690 59.7470 35.9990 C 0 0 1 0 0 0 0 0 0 0 0 0 69.6150 59.6910 32.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 71.6660 61.5420 30.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 67.7090 58.4860 36.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 72.4400 63.0580 31.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 65.7650 56.4810 35.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 68.5420 56.5190 34.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 64.6900 57.4560 35.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 63.3790 56.7360 36.0870 C 0 0 1 0 0 0 0 0 0 0 0 0 62.3530 57.7910 36.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 1 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 5 27 2 0 0 0 0 6 27 1 0 0 0 0 7 14 1 0 0 0 0 7 19 1 0 0 0 0 8 16 1 0 0 0 0 8 19 2 0 0 0 0 9 14 1 0 0 0 0 9 22 2 0 0 0 0 10 20 2 0 0 0 0 10 22 1 0 0 0 0 11 20 1 0 0 0 0 13 7 1 6 0 0 0 13 15 1 0 0 0 0 14 16 2 0 0 0 0 15 3 1 1 0 0 0 15 17 1 0 0 0 0 16 20 1 0 0 0 0 17 4 1 1 0 0 0 17 18 1 0 0 0 0 18 21 1 6 0 0 0 23 25 1 0 0 0 0 26 25 1 6 0 0 0 26 12 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 1 1 M END $$$$ 831464 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 154.9680 128.5910 -30.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 155.3370 131.0830 -34.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 154.7460 129.9010 -33.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 155.2140 130.9510 -36.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 155.0780 129.9900 -32.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 156.0090 132.0500 -36.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 155.8630 132.0160 -38.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 154.6770 128.7350 -31.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 156.6260 133.1640 -38.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 156.4850 133.1450 -40.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 M END $$$$ 831476 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 79.6340 72.4110 48.5680 O 0 0 0 0 0 0 0 0 0 0 0 0 77.5410 73.4850 51.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 77.8410 75.3430 49.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 80.6770 73.9910 46.9660 O 0 0 0 0 0 0 0 0 0 0 0 0 78.4730 69.3040 52.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 77.5720 70.6660 51.1060 N 0 0 0 0 0 0 0 0 0 0 0 0 79.8210 70.1630 49.2770 N 0 0 0 0 0 0 0 0 0 0 0 0 78.4730 71.6970 50.6190 C 0 0 2 0 0 0 0 0 0 0 0 0 77.7500 73.0650 50.6450 C 0 0 2 0 0 0 0 0 0 0 0 0 78.5640 74.1220 49.9170 C 0 0 1 0 0 0 0 0 0 0 0 0 78.9430 71.3160 49.1950 C 0 0 1 0 0 0 0 0 0 0 0 0 78.8470 73.6250 48.5060 C 0 0 1 0 0 0 0 0 0 0 0 0 79.6280 74.6270 47.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 77.6830 70.1970 52.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 76.7740 70.8080 53.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 831480 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 -14.4670 42.8620 132.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9510 39.2050 130.7910 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9580 40.3540 133.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.9600 41.6520 129.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.1630 42.8540 130.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2880 42.9790 133.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7480 40.1620 131.5310 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.7980 41.0970 132.2590 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.6970 40.9900 130.6600 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.5670 42.1500 133.0700 C 0 0 1 0 0 0 0 0 0 0 0 0 -15.4160 42.0270 131.5440 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.6280 43.2030 133.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 831488 OpenBabel12061010053D 19 21 0 0 0 0 0 0 0 0999 V2000 25.1560 27.0000 40.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5940 28.8610 38.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8470 28.6270 41.4260 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5480 27.5280 42.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3850 27.6880 38.3040 N 0 0 0 0 0 0 0 0 0 0 0 0 23.3880 28.1060 36.2630 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2630 27.3720 38.3260 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2280 27.9160 36.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 25.5380 27.5060 39.2780 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9930 27.5440 38.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3570 28.8120 39.4650 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4060 27.8020 37.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5100 28.9470 40.9850 C 0 0 1 0 0 0 0 0 0 0 0 0 25.5650 27.9380 41.6380 C 0 0 1 0 0 0 0 0 0 0 0 0 24.5140 28.0280 36.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9360 27.7040 37.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2990 27.2040 39.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3680 28.6210 42.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9480 27.1490 39.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 4 18 1 0 0 0 0 5 10 1 0 0 0 0 5 15 1 0 0 0 0 6 12 1 0 0 0 0 6 15 2 0 0 0 0 7 16 1 0 0 0 0 7 19 2 0 0 0 0 8 16 1 0 0 0 0 9 5 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 2 0 0 0 0 11 2 1 1 0 0 0 11 13 1 0 0 0 0 12 16 2 0 0 0 0 13 3 1 6 0 0 0 13 14 1 0 0 0 0 14 18 1 6 0 0 0 17 19 1 0 0 0 0 M END $$$$ 831490 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 16.8840 20.3880 2.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0350 22.7420 3.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9340 22.0620 5.7230 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7880 21.3370 3.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1340 22.1420 2.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5100 20.7390 1.8510 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5820 18.7810 2.1240 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2070 21.2050 2.2900 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2670 21.5620 3.7860 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8720 21.7910 4.3350 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1180 20.1490 1.9570 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0650 20.5380 4.0740 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6940 20.5760 4.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6040 21.0300 2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2040 19.9200 3.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 831526 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 118.5960 22.4580 59.2310 P 0 0 0 0 0 0 0 0 0 0 0 0 120.9400 21.0340 58.1920 P 0 0 0 0 0 0 0 0 0 0 0 0 117.7780 26.5180 56.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 118.8520 23.9890 59.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 119.5510 21.8810 58.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 116.2200 28.2390 58.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 117.1650 26.1900 60.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 117.2020 22.2000 58.9040 O 0 0 0 0 0 0 0 0 0 0 0 0 118.9950 22.0800 60.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 120.8430 20.1310 59.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 121.2170 20.1730 56.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 122.1770 22.0510 58.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 115.6440 26.1130 55.8040 N 0 0 0 0 0 0 0 0 0 0 0 0 115.0720 24.5340 54.4090 N 0 0 0 0 0 0 0 0 0 0 0 0 113.5290 27.0860 56.1570 N 0 0 0 0 0 0 0 0 0 0 0 0 111.7870 26.0700 54.9370 N 0 0 0 0 0 0 0 0 0 0 0 0 112.1380 24.2150 53.5510 N 0 0 0 0 0 0 0 0 0 0 0 0 116.4340 26.9960 56.7280 C 0 0 1 0 0 0 0 0 0 0 0 0 114.3410 26.2150 55.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 115.9640 27.0040 58.2090 C 0 0 1 0 0 0 0 0 0 0 0 0 118.0970 25.9640 58.0980 C 0 0 1 0 0 0 0 0 0 0 0 0 116.8280 25.9360 58.8890 C 0 0 1 0 0 0 0 0 0 0 0 0 113.9760 25.2450 54.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 116.0830 25.0690 55.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 118.4570 24.5350 57.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 112.6320 25.1630 54.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 112.2510 27.0000 55.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 18 13 1 1 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 6 1 6 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 6 0 0 0 22 7 1 1 0 0 0 23 26 2 0 0 0 0 M END $$$$ 831545 OpenBabel12061010053D 20 20 0 0 0 0 0 0 0 0999 V2000 18.9820 63.4950 45.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8740 64.4190 45.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7200 62.0000 46.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2730 60.9090 44.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8850 63.8390 46.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3840 59.6640 46.5250 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9160 60.9790 46.8190 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0170 62.0560 46.2160 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3220 61.1150 46.2430 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6340 63.4510 46.4160 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8470 62.5180 46.5270 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2360 62.7220 45.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5860 65.6100 46.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3020 66.6150 45.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0000 66.3520 44.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2880 66.0170 42.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2180 65.7550 42.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8520 64.3210 41.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6590 64.1510 40.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7270 62.8470 39.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 13 1 0 0 0 0 5 12 1 0 0 0 0 7 6 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 2 1 6 0 0 0 11 12 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 M END $$$$ 831557 OpenBabel12061010053D 5 4 0 0 0 0 0 0 0 0999 V2000 26.8720 27.4860 25.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6240 28.1590 23.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3020 28.6980 25.2710 C 0 0 1 0 0 0 0 0 0 0 0 0 26.2240 29.2210 24.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6060 29.7500 26.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 1 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 M END $$$$ 831631 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 34.0230 24.8120 28.5590 O 0 0 0 0 0 0 0 0 0 0 0 0 36.5780 24.1730 31.7800 O 0 0 0 0 0 0 0 0 0 0 0 0 35.0320 21.9890 30.7110 O 0 0 0 0 0 0 0 0 0 0 0 0 35.0600 26.2880 30.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 35.0060 26.8220 28.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 31.8110 23.4650 29.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 36.1040 24.1390 30.4400 C 0 0 1 0 0 0 0 0 0 0 0 0 34.7890 23.3490 30.3710 C 0 0 1 0 0 0 0 0 0 0 0 0 35.8980 25.5700 29.9260 C 0 0 1 0 0 0 0 0 0 0 0 0 34.1910 23.4300 28.9550 C 0 0 1 0 0 0 0 0 0 0 0 0 35.2640 25.5340 28.5270 C 0 0 1 0 0 0 0 0 0 0 0 0 32.8320 22.7430 28.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 831636 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 52.2870 -34.0510 22.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 54.3910 -33.3230 19.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 54.6870 -35.7560 20.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 53.3250 -31.6430 21.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 50.8890 -32.1110 22.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 52.7660 -35.9920 24.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 53.3490 -33.8390 20.0040 C 0 0 1 0 0 0 0 0 0 0 0 0 53.9300 -34.6940 21.1310 C 0 0 1 0 0 0 0 0 0 0 0 0 52.5020 -32.6960 20.5620 C 0 0 1 0 0 0 0 0 0 0 0 0 52.7780 -35.2220 21.9660 C 0 0 1 0 0 0 0 0 0 0 0 0 51.5780 -33.2120 21.6700 C 0 0 1 0 0 0 0 0 0 0 0 0 53.1730 -36.3070 22.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 831648 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 43.1880 114.2550 15.4070 P 0 0 0 0 0 0 0 0 0 0 0 0 43.0820 110.7910 12.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 42.9150 112.9920 14.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 42.5830 108.9140 13.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 40.5940 108.4000 12.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 39.7870 111.5610 11.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 42.1540 115.3470 15.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 43.1340 113.8340 16.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 44.5600 114.8270 15.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 43.6470 107.1850 12.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 42.7050 109.4440 12.4840 C 0 0 1 0 0 0 0 0 0 0 0 0 41.3270 109.5840 11.8120 C 0 0 2 0 0 0 0 0 0 0 0 0 41.9640 111.6440 12.8830 C 0 0 1 0 0 0 0 0 0 0 0 0 40.7200 110.8550 12.4540 C 0 0 1 0 0 0 0 0 0 0 0 0 41.8980 111.9270 14.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 43.6250 108.5210 11.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 3 15 1 0 0 0 0 10 16 1 0 0 0 0 11 4 1 1 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 5 1 1 0 0 0 12 14 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 1 0 0 0 14 6 1 6 0 0 0 M END $$$$ 831657 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 14.9940 4.1890 32.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6100 7.3410 34.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6790 4.7310 34.7920 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9400 5.5130 30.9270 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5600 2.1350 33.4260 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2480 8.4300 32.6670 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2740 7.7960 31.9310 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2180 6.5500 32.6640 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4790 6.3340 33.4930 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4130 4.9800 34.1690 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0970 5.4020 31.6790 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1550 3.8950 33.1320 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8990 2.5320 33.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2410 8.6300 31.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3970 9.8920 31.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 8 7 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 4 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 831696 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 26.3580 32.9770 -4.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2220 34.4100 -8.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4790 33.2730 -8.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4090 30.6340 -6.6690 O 0 0 0 0 0 0 0 0 0 0 0 0 31.1590 35.2700 -6.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 28.9970 35.3880 -5.5710 N 0 0 0 0 0 0 0 0 0 0 0 0 27.7980 34.2700 -3.3130 N 0 0 0 0 0 0 0 0 0 0 0 0 28.0960 34.2680 -5.7370 C 0 0 2 0 0 0 0 0 0 0 0 0 27.3090 34.3680 -7.0410 C 0 0 2 0 0 0 0 0 0 0 0 0 26.3810 33.1380 -7.1710 C 0 0 1 0 0 0 0 0 0 0 0 0 27.1070 34.1920 -4.5870 C 0 0 1 0 0 0 0 0 0 0 0 0 25.5310 32.9440 -5.8900 C 0 0 1 0 0 0 0 0 0 0 0 0 24.7530 31.6310 -5.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2810 35.1540 -5.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6500 34.7190 -3.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 831723 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 41.9430 43.3880 0.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 43.3940 47.0890 -4.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 40.2890 45.5970 -2.2720 N 0 0 0 0 0 0 0 0 0 0 0 0 44.4250 43.1820 -2.1010 N 0 0 0 0 0 0 0 0 0 0 0 0 42.9030 44.8340 -1.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 41.7960 44.2960 -0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 42.6250 45.7500 -2.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 40.4580 44.6880 -1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 41.3010 46.1460 -3.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 44.2380 44.4240 -1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 43.8190 46.2400 -3.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 39.2380 44.1180 -0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 11 1 0 0 0 0 3 8 2 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 M END $$$$ 831725 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 24.9960 52.1870 -2.4530 P 0 0 0 0 0 0 0 0 0 0 0 0 24.5790 49.5610 -3.1570 P 0 0 0 0 0 0 0 0 0 0 0 0 29.0690 53.6870 -4.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4580 52.8060 -2.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3430 50.8960 -2.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 29.7800 56.3080 -2.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 29.7380 54.1310 -0.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1490 52.9850 -3.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3990 52.1520 -1.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9080 49.0020 -4.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0040 48.7090 -1.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0540 50.0740 -3.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6800 55.5390 -4.8810 N 0 0 0 0 0 0 0 0 0 0 0 0 25.8220 55.4140 -6.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 27.9760 57.9760 -5.1820 N 0 0 0 0 0 0 0 0 0 0 0 0 26.3120 59.0000 -6.4600 N 0 0 0 0 0 0 0 0 0 0 0 0 24.5520 57.7660 -7.3410 N 0 0 0 0 0 0 0 0 0 0 0 0 28.8790 55.0970 -4.0470 C 0 0 1 0 0 0 0 0 0 0 0 0 27.4120 56.7580 -5.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7400 55.4830 -2.5880 C 0 0 1 0 0 0 0 0 0 0 0 0 28.7840 53.0620 -2.8420 C 0 0 1 0 0 0 0 0 0 0 0 0 28.6690 54.1750 -1.8240 C 0 0 1 0 0 0 0 0 0 0 0 0 26.1810 56.6790 -6.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7040 54.6940 -5.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5380 52.1880 -3.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6800 57.8170 -6.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4710 59.0900 -5.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 18 13 1 1 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 6 1 6 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 6 0 0 0 22 7 1 6 0 0 0 23 26 2 0 0 0 0 M END $$$$ 831726 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 25.8810 -1.3630 61.2090 P 0 0 0 0 0 0 0 0 0 0 0 0 27.0860 -3.8840 61.0880 P 0 0 0 0 0 0 0 0 0 0 0 0 26.2600 1.7400 63.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8050 -0.4090 62.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0030 -2.3550 60.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7020 1.7870 67.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1690 1.2660 66.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8820 -1.9750 61.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1450 -0.8360 59.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0280 -4.3860 60.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8820 -4.4730 62.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5660 -4.1160 60.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9750 2.0060 64.3280 N 0 0 0 0 0 0 0 0 0 0 0 0 22.1870 1.5690 63.1030 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7600 2.9210 66.2650 N 0 0 0 0 0 0 0 0 0 0 0 0 20.4370 2.9830 66.0450 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3910 2.2060 64.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 25.4260 2.1210 64.7520 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9150 2.3590 65.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7360 1.1820 65.9160 C 0 0 1 0 0 0 0 0 0 0 0 0 27.2040 0.7880 64.0420 C 0 0 1 0 0 0 0 0 0 0 0 0 27.0840 0.5870 65.5810 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7630 2.1040 64.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5240 1.5040 63.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5560 -0.3400 63.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5130 2.4180 64.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5520 3.2200 66.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 18 13 1 6 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 6 1 1 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 1 0 0 0 22 7 1 6 0 0 0 23 26 2 0 0 0 0 M END $$$$ 831785 OpenBabel12061010053D 13 12 0 0 0 0 0 0 0 0999 V2000 16.0970 24.3790 14.4650 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5170 22.6660 17.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4320 24.8360 10.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1920 22.9130 20.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1970 24.8680 7.4520 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2470 23.2630 15.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3470 24.0280 13.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1310 23.7160 16.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1140 25.2240 12.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4770 21.7430 18.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0350 25.3880 9.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3450 21.6250 19.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2930 24.9270 8.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 M END $$$$ 831802 OpenBabel12061010053D 26 28 0 0 0 0 0 0 0 0999 V2000 17.7400 31.2570 90.2860 S 0 0 0 0 0 0 0 0 0 0 0 0 18.3400 27.7040 88.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7660 26.2910 90.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0550 28.1870 92.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5480 33.0660 92.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4770 33.4500 93.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1660 25.6010 88.3230 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9540 24.5370 86.4920 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7290 23.7870 89.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7840 21.7970 87.8790 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0620 21.5690 85.8940 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2410 30.6320 91.6160 N 0 0 0 0 0 0 0 0 0 0 0 0 18.8890 26.4790 89.2900 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5930 24.3020 88.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0820 27.1320 89.9620 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0800 23.6660 87.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4160 28.3880 90.6640 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1700 28.5900 89.8180 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9580 25.6290 87.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6600 22.3050 86.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9890 30.0060 89.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3490 22.4950 88.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4220 30.5070 91.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6120 31.6290 91.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2840 31.3540 92.4700 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6900 32.7350 92.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 23 1 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 5 26 2 0 0 0 0 6 26 1 0 0 0 0 7 14 1 0 0 0 0 7 19 1 0 0 0 0 8 16 1 0 0 0 0 8 19 2 0 0 0 0 9 14 2 0 0 0 0 9 22 1 0 0 0 0 10 20 1 0 0 0 0 10 22 2 0 0 0 0 11 20 1 0 0 0 0 13 7 1 6 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 3 1 1 0 0 0 15 17 1 0 0 0 0 16 20 2 0 0 0 0 17 4 1 1 0 0 0 17 18 1 0 0 0 0 18 21 1 6 0 0 0 23 24 1 0 0 0 0 25 24 1 6 0 0 0 25 12 1 0 0 0 0 25 26 1 0 0 0 0 M END $$$$ 831815 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 23.8110 11.3570 21.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4820 13.0590 20.5350 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9610 11.9980 23.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1800 12.4370 23.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2610 13.1190 16.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0520 11.5970 18.4520 N 0 0 0 0 0 0 0 0 0 0 0 0 23.2220 11.2390 19.1110 N 0 0 0 0 0 0 0 0 0 0 0 0 25.4610 12.0310 19.7020 C 0 0 2 0 0 0 0 0 0 0 0 0 26.5410 12.0270 20.7920 C 0 0 2 0 0 0 0 0 0 0 0 0 25.9370 12.2150 22.1910 C 0 0 1 0 0 0 0 0 0 0 0 0 24.3050 11.0790 20.0620 C 0 0 1 0 0 0 0 0 0 0 0 0 24.8050 11.1960 22.3960 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0890 11.3430 23.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1930 12.4400 17.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5830 12.5450 16.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 831818 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 33.0680 29.3960 -29.7380 O 0 0 0 0 0 0 0 0 0 0 0 0 34.2590 32.7500 -31.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 35.3810 30.1980 -32.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 33.4510 32.3860 -29.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 31.5450 30.6460 -28.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 34.9460 27.7870 -29.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 33.5710 31.5450 -31.6140 C 0 0 1 0 0 0 0 0 0 0 0 0 34.5780 30.4290 -31.3370 C 0 0 1 0 0 0 0 0 0 0 0 0 32.6870 31.7590 -30.3780 C 0 0 1 0 0 0 0 0 0 0 0 0 33.8070 29.1620 -30.9590 C 0 0 1 0 0 0 0 0 0 0 0 0 32.0750 30.4360 -29.8510 C 0 0 1 0 0 0 0 0 0 0 0 0 34.7070 27.9470 -30.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 831823 OpenBabel12061010053D 26 28 0 0 0 0 0 0 0 0999 V2000 15.5410 42.3250 34.2750 S 0 0 0 0 0 0 0 0 0 0 0 0 16.8720 43.7430 30.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5970 46.9700 31.9760 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8710 45.0390 33.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7500 37.7900 35.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1620 38.8880 36.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7250 45.6220 29.2220 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3610 46.2420 27.6000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.8220 46.3830 28.1010 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4860 47.3680 25.9480 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3050 47.5370 25.0860 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4610 39.0200 33.1980 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2640 45.0830 30.4850 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4850 46.1790 28.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7710 45.8650 31.6930 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6140 46.5620 27.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7830 44.8350 32.8050 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9120 43.4850 32.1060 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4130 45.6660 28.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1240 47.1610 26.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8190 42.4860 32.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3400 46.9780 26.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4130 40.7430 34.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9130 40.9300 34.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7540 39.6690 34.4670 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5410 38.7300 35.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 23 1 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 5 26 2 0 0 0 0 6 26 1 0 0 0 0 7 14 1 0 0 0 0 7 19 1 0 0 0 0 8 16 1 0 0 0 0 8 19 2 0 0 0 0 9 14 2 0 0 0 0 9 22 1 0 0 0 0 10 20 1 0 0 0 0 10 22 2 0 0 0 0 11 20 1 0 0 0 0 13 7 1 1 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 3 1 1 0 0 0 15 17 1 0 0 0 0 16 20 2 0 0 0 0 17 4 1 6 0 0 0 17 18 1 0 0 0 0 18 21 1 6 0 0 0 23 24 1 0 0 0 0 25 24 1 1 0 0 0 25 12 1 0 0 0 0 25 26 1 0 0 0 0 M END $$$$ 831838 OpenBabel12061010053D 16 17 0 0 0 0 0 0 0 0999 V2000 44.1870 18.8680 48.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 42.5200 15.2320 50.6370 O 0 0 0 0 0 0 0 0 0 0 0 0 43.2100 14.9420 48.5280 N 0 0 0 0 0 0 0 0 0 0 0 0 43.3590 17.0820 49.6440 N 0 0 0 0 0 0 0 0 0 0 0 0 44.0270 15.0480 46.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 44.5950 17.2180 46.1300 N 0 0 0 0 0 0 0 0 0 0 0 0 43.7330 15.5880 47.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 44.0850 16.9170 47.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 43.8910 17.6790 48.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 43.0130 15.7290 49.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 42.8880 13.5220 48.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 44.5420 16.0770 45.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 43.1910 17.8570 50.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 44.1720 12.7060 48.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 44.9850 13.1640 49.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 43.8490 11.2220 48.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 10 2 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 12 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 M END $$$$ 831840 OpenBabel12061010053D 10 10 0 0 0 0 0 0 0 0999 V2000 -19.9170 15.2440 43.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.4750 12.3520 45.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.1310 13.4130 44.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.1900 14.6450 42.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 -22.5170 14.7440 43.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.4750 13.7620 45.0050 C 0 0 1 0 0 0 0 0 0 0 0 0 -18.1520 14.3640 44.5550 C 0 0 2 0 0 0 0 0 0 0 0 0 -20.3980 14.0290 43.8280 C 0 0 1 0 0 0 0 0 0 0 0 0 -18.5130 15.2220 43.3210 C 0 0 2 0 0 0 0 0 0 0 0 0 -21.8950 14.2560 44.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 5 10 1 0 0 0 0 6 2 1 6 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 3 1 6 0 0 0 7 9 1 0 0 0 0 8 10 1 1 0 0 0 9 4 1 6 0 0 0 M END $$$$ 831844 OpenBabel12061010053D 13 12 0 0 0 0 0 0 0 0999 V2000 -10.2600 36.2650 -1.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9960 34.8620 -0.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4970 39.5090 0.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1840 38.5760 0.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3350 38.1430 0.2930 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9770 36.8670 -0.9300 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.3930 37.1640 0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1560 35.9430 -0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9150 36.1600 -1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0790 37.7560 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3720 36.0070 -3.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1880 36.2190 -4.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6390 36.4650 -5.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 8 1 0 0 0 0 3 5 1 0 0 0 0 4 10 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 1 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 M END $$$$ 831847 OpenBabel12061010053D 9 8 0 0 0 0 0 0 0 0999 V2000 -19.5590 33.9810 72.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.9340 35.2100 70.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 -21.8430 33.5390 69.3890 N 0 0 0 0 0 0 0 0 0 0 0 0 -21.3120 32.9930 67.2080 N 0 0 0 0 0 0 0 0 0 0 0 0 -20.3610 31.8650 68.9580 N 0 0 0 0 0 0 0 0 0 0 0 0 -21.4680 33.4510 70.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.1900 32.8070 68.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.2250 34.2730 71.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.7880 34.5770 69.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 8 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 4 7 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 M END $$$$ 831930 OpenBabel12061010053D 16 15 0 0 0 0 0 0 0 0999 V2000 8.7010 95.4710 56.6410 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8940 95.1150 56.6850 N 0 3 0 0 0 0 0 0 0 0 0 0 10.2860 94.5710 55.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7700 94.8320 55.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2600 93.9140 53.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7320 96.2630 57.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9870 94.0600 57.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2270 94.6440 53.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8470 93.6320 52.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8150 94.3500 51.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3260 93.4290 50.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9960 94.2450 49.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2700 93.3970 47.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6380 94.3110 46.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4650 93.6110 45.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9750 92.1550 45.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 M CHG 1 2 1 M END $$$$ 831956 OpenBabel12061010053D 25 26 0 0 0 0 0 0 0 0999 V2000 27.4050 28.2140 122.5910 P 0 0 0 0 0 0 0 0 0 0 0 0 25.4810 27.3610 124.7630 P 0 0 0 0 0 0 0 0 0 0 0 0 30.7810 25.1840 122.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7500 27.3910 122.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8990 27.7810 124.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6500 29.6770 122.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4550 27.6800 121.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 32.1620 27.7630 120.7730 O 0 0 0 0 0 0 0 0 0 0 0 0 33.1310 22.4960 120.5930 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0550 26.1000 124.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7830 27.1490 126.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5340 28.5210 124.5190 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1940 19.2250 121.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 31.1670 23.1250 121.6080 N 0 0 0 0 0 0 0 0 0 0 0 0 31.6250 20.8990 121.1330 N 0 0 0 0 0 0 0 0 0 0 0 0 31.6940 24.4820 121.8940 C 0 0 1 0 0 0 0 0 0 0 0 0 31.0300 26.5940 122.5410 C 0 0 1 0 0 0 0 0 0 0 0 0 31.2610 26.6970 121.0410 C 0 0 2 0 0 0 0 0 0 0 0 0 31.9260 25.3640 120.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0540 22.1970 121.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9130 27.4750 123.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9570 22.7280 122.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5520 21.4510 122.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4360 20.4310 121.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2360 21.0400 122.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 21 1 0 0 0 0 9 20 2 0 0 0 0 13 24 2 0 0 0 0 14 20 1 0 0 0 0 14 22 1 0 0 0 0 15 20 1 0 0 0 0 15 24 1 0 0 0 0 16 14 1 6 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 6 0 0 0 18 8 1 1 0 0 0 18 19 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 M END $$$$ 831965 OpenBabel12061010053D 12 11 0 0 0 0 0 0 0 0999 V2000 24.7990 7.4260 57.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2190 9.0130 59.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9760 8.6280 60.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9660 5.3890 60.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5180 6.8820 59.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7250 5.7290 60.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3990 7.4450 59.0800 C 0 0 1 0 0 0 0 0 0 0 0 0 25.6310 7.7940 59.9630 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2980 8.5150 59.2750 C 0 0 1 0 0 0 0 0 0 0 0 0 26.6520 6.6110 59.9300 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0340 8.1020 58.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8220 6.8680 60.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 7 1 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 2 1 6 0 0 0 8 10 1 0 0 0 0 9 3 1 1 0 0 0 9 11 1 0 0 0 0 10 4 1 1 0 0 0 10 12 1 0 0 0 0 M END $$$$ 832007 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 11.2100 46.6640 23.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7040 47.0510 26.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6660 49.0970 25.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4700 44.2960 25.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7460 49.2150 25.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4560 44.4000 25.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7700 47.0300 24.9160 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3850 46.4300 25.0420 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7410 48.5270 25.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4530 44.9570 25.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 3 9 2 0 0 0 0 4 10 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 1 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 2 1 1 0 0 0 8 10 1 0 0 0 0 M END $$$$ 832013 OpenBabel12061010053D 14 15 0 0 0 0 0 0 0 0999 V2000 9.6090 22.2530 7.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1310 20.7630 10.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 22.5130 8.3190 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3160 25.3330 5.9340 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2300 24.0790 5.9280 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5190 24.6770 7.3820 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1490 25.9130 4.5280 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4970 23.3570 7.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7680 24.4650 6.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8540 23.1560 6.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5200 25.1350 5.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7820 22.7250 8.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0460 23.8270 8.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2380 21.7740 9.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 14 1 0 0 0 0 3 8 2 0 0 0 0 3 12 1 0 0 0 0 4 9 1 0 0 0 0 4 11 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 9 2 0 0 0 0 6 13 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 M END $$$$ 832015 OpenBabel12061010053D 9 9 0 0 0 0 0 0 0 0999 V2000 55.4300 30.6810 35.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 53.9590 29.4620 34.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 55.1360 28.4060 36.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 54.8610 29.5830 35.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 56.2630 28.5400 37.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 54.3050 27.2430 36.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 56.5140 27.4380 38.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 54.5740 26.1560 37.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 55.7120 26.2470 38.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 4 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 8 9 1 0 0 0 0 M END $$$$ 832033 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 24.3360 93.0580 83.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2350 92.2860 87.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1670 94.8190 86.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8290 91.4990 84.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1010 96.1110 84.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3190 88.9120 83.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8090 90.1250 85.6060 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9640 91.4750 85.1000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.4860 92.4580 86.1520 C 0 0 2 0 0 0 0 0 0 0 0 0 24.6460 93.8820 85.6230 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1700 91.7030 83.8130 C 0 0 2 0 0 0 0 0 0 0 0 0 23.8680 94.0270 84.3240 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0270 95.3980 83.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6270 89.0970 84.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5170 88.1140 85.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 8 7 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 4 1 1 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 832035 OpenBabel12061010053D 20 20 0 0 0 0 0 0 0 0999 V2000 43.6180 1.6790 -23.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 40.4670 4.5410 -23.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 45.3260 3.7460 -24.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 46.4350 1.7890 -21.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 43.3180 0.9470 -20.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 41.1930 0.2800 -21.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 43.8120 6.5960 -24.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 48.8230 2.1470 -23.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 43.2260 5.4060 -22.6870 N 0 0 0 0 0 0 0 0 0 0 0 0 43.9780 3.0330 -22.9200 C 0 0 2 0 0 0 0 0 0 0 0 0 42.8540 4.0960 -23.3090 C 0 0 1 0 0 0 0 0 0 0 0 0 41.4720 3.5950 -22.7910 C 0 0 2 0 0 0 0 0 0 0 0 0 42.2640 1.1260 -23.0990 C 0 0 2 0 0 0 0 0 0 0 0 0 45.4080 3.4360 -23.4230 C 0 0 1 0 0 0 0 0 0 0 0 0 41.1320 2.2130 -23.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 46.5200 2.3480 -23.2280 C 0 0 1 0 0 0 0 0 0 0 0 0 42.2580 0.7550 -21.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 43.6580 6.5100 -23.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 47.8790 3.0190 -23.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 43.9790 7.7060 -22.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 5 17 2 0 0 0 0 6 17 1 0 0 0 0 7 18 2 0 0 0 0 8 19 1 0 0 0 0 9 18 1 0 0 0 0 10 1 1 6 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 9 1 1 0 0 0 11 12 1 0 0 0 0 12 2 1 6 0 0 0 12 15 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 1 0 0 0 14 3 1 6 0 0 0 14 16 1 0 0 0 0 16 4 1 1 0 0 0 16 19 1 0 0 0 0 18 20 1 0 0 0 0 M END $$$$ 832038 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 46.4390 80.3250 70.3100 P 0 0 0 0 0 0 0 0 0 0 0 0 47.7430 80.8130 69.9660 O 0 0 0 0 0 0 0 0 0 0 0 0 52.6080 84.2120 69.9980 O 0 0 0 0 0 0 0 0 0 0 0 0 46.0880 79.0300 70.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 46.0270 81.1980 71.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 45.6250 80.6370 69.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 52.5550 80.4730 69.6030 N 0 0 0 0 0 0 0 0 0 0 0 0 49.1100 84.0650 69.5890 N 0 0 0 0 0 0 0 0 0 0 0 0 50.3110 81.1710 70.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 50.7610 82.5870 70.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 52.2220 82.9150 69.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 53.0990 81.7730 69.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 48.8970 80.7180 70.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 51.2520 80.1280 69.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 49.8680 83.5420 70.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 54.5160 81.9750 69.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 M END $$$$ 832050 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 72.0040 35.2500 -20.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 69.1990 35.4120 -17.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 71.3770 33.6590 -18.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 68.4030 35.9190 -20.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 70.5940 35.2660 -21.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 74.8740 35.5290 -19.9310 O 0 0 0 0 0 0 0 0 0 0 0 0 70.1520 35.8270 -18.2420 C 0 0 1 0 0 0 0 0 0 0 0 0 71.5510 35.1120 -17.9760 C 0 0 2 0 0 0 0 0 0 0 0 0 69.6460 35.3610 -19.6520 C 0 0 2 0 0 0 0 0 0 0 0 0 72.5720 35.6310 -19.0930 C 0 0 1 0 0 0 0 0 0 0 0 0 70.6750 35.8010 -20.8010 C 0 0 1 0 0 0 0 0 0 0 0 0 73.8930 34.9880 -18.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 1 0 0 0 M END $$$$ 832064 OpenBabel12061010053D 14 14 0 0 0 0 0 0 0 0999 V2000 4.9320 -21.6740 -75.6810 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1110 -20.6940 -72.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9600 -22.7150 -71.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3490 -21.9970 -74.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8870 -17.8040 -74.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1990 -20.0060 -74.6960 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6600 -21.3710 -73.2820 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1640 -21.8120 -73.1470 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8100 -20.4380 -74.5170 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7310 -22.5580 -74.5000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3180 -21.1840 -75.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2430 -23.0140 -74.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6180 -18.7330 -74.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0950 -18.4830 -74.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 2 0 0 0 0 6 13 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 6 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 13 14 1 0 0 0 0 M END $$$$ 832067 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 0.4140 40.0610 78.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4210 37.5900 76.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 36.9090 79.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 41.7270 76.7420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 39.3680 80.7550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 39.3080 73.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 40.1270 75.5170 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 39.5840 76.5130 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8090 38.5600 77.3070 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8220 37.9490 78.2950 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5000 40.6750 77.4720 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2040 39.0490 79.1880 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8420 38.3510 80.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8220 39.8440 74.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 40.2470 73.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 8 7 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 4 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 832068 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 -4.5430 36.6370 77.4110 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5200 36.8810 73.9800 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4210 37.5900 76.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0850 35.1250 74.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8490 37.2560 79.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7340 38.0890 78.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9050 37.0950 77.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1040 36.3940 75.1640 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7230 37.2450 76.3850 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6130 36.4260 74.9260 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3920 37.1370 76.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5790 37.5390 78.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 5 12 2 0 0 0 0 6 12 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 2 1 6 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 3 1 1 0 0 0 10 4 1 1 0 0 0 10 11 1 0 0 0 0 M END $$$$ 832075 OpenBabel12061010053D 19 19 0 0 0 0 0 0 0 0999 V2000 1.8860 49.4390 75.7320 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0660 48.4710 76.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7960 48.8700 75.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5420 45.9650 77.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3360 48.6800 77.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 48.9760 74.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 50.9380 75.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 49.4580 76.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4210 49.7970 72.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 47.3140 79.7920 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1570 46.0770 77.9240 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 47.5570 75.3940 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4220 46.5110 76.2390 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5400 47.1110 77.0980 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8750 48.2150 74.5750 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5480 47.9690 76.3110 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3890 49.1040 73.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4130 46.2130 79.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7880 44.9150 79.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 9 17 1 0 0 0 0 10 18 2 0 0 0 0 11 18 1 0 0 0 0 12 2 1 1 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 4 1 1 0 0 0 13 14 1 0 0 0 0 14 11 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 1 0 0 0 16 5 1 1 0 0 0 18 19 1 0 0 0 0 M END $$$$ 832076 OpenBabel12061010053D 11 11 0 0 0 0 0 0 0 0999 V2000 2.2660 44.4790 75.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2100 41.8190 78.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0670 43.5730 78.7230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 44.7020 76.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 46.2680 75.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 44.0430 75.9830 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2300 42.6920 77.6930 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8570 44.0000 78.1660 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8500 43.0480 77.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 45.0990 75.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 44.6310 76.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 4 10 2 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 1 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 11 1 0 0 0 0 M END $$$$ 832087 OpenBabel12061010053D 13 12 0 0 0 0 0 0 0 0999 V2000 0.3980 56.6160 36.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 56.9730 38.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 54.0460 35.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3040 55.4190 37.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 52.3810 34.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 57.4650 37.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 56.0410 36.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 58.0750 37.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 55.2210 35.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4280 57.4810 38.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 53.2020 34.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3280 56.2790 38.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 51.9500 34.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 M END $$$$ 832111 OpenBabel12061010053D 13 13 0 0 0 0 0 0 0 0999 V2000 17.6600 10.9870 37.6740 S 0 0 0 0 0 0 0 0 0 0 0 0 22.6100 9.6420 42.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9310 9.7250 39.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8630 10.0710 36.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8780 10.8430 38.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6790 9.8500 40.6230 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5560 10.2930 38.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5620 10.1230 39.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3470 10.5150 37.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8430 10.4060 37.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3700 10.1990 40.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1590 10.6000 38.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1630 10.4420 40.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 6 2 0 0 0 0 3 6 2 0 0 0 0 4 10 2 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 9 12 1 0 0 0 0 11 13 1 0 0 0 0 12 13 2 0 0 0 0 M END $$$$ 832137 OpenBabel12061010053D 28 30 0 0 0 0 0 0 0 0999 V2000 -3.3350 72.9630 36.0270 P 0 0 0 0 0 0 0 0 0 0 0 0 -6.0300 71.8690 35.9780 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 75.0490 39.6870 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6310 73.7990 37.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7520 72.5750 36.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 75.9870 37.8510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 77.6940 38.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 70.5090 42.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 71.7770 35.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5630 73.9070 34.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0300 72.9560 35.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4980 70.8830 37.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4220 71.2000 34.7190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 73.7800 39.9830 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 71.5810 40.0700 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 74.4360 41.9800 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 72.6020 43.1180 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7370 74.8490 43.8540 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 75.0800 39.5530 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9300 73.5530 41.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 75.3980 38.0620 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2120 72.1760 41.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 75.8330 38.6380 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2410 76.3290 37.7590 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0080 72.5820 39.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 71.7050 42.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3060 74.9420 37.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 73.9460 43.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 9 2 0 0 0 0 1 10 1 0 0 0 0 2 5 1 0 0 0 0 2 11 2 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 19 1 0 0 0 0 3 23 1 0 0 0 0 4 27 1 0 0 0 0 8 26 2 0 0 0 0 14 20 1 0 0 0 0 14 25 1 0 0 0 0 15 22 1 0 0 0 0 15 25 2 0 0 0 0 16 20 1 0 0 0 0 16 28 2 0 0 0 0 17 26 1 0 0 0 0 17 28 1 0 0 0 0 18 28 1 0 0 0 0 19 14 1 6 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 21 6 1 1 0 0 0 21 24 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 6 0 0 0 24 7 1 1 0 0 0 M END $$$$ 832178 OpenBabel12061010053D 16 15 0 0 0 0 0 0 0 0999 V2000 68.0580 126.3200 42.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 68.1610 125.8510 43.6110 N 0 3 0 0 0 0 0 0 0 0 0 0 67.8270 124.3880 43.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 67.3780 123.5970 42.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 67.1000 122.1030 42.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 69.5590 125.9220 44.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 67.5510 126.7170 44.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 65.6810 121.9610 43.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 65.4850 120.6810 44.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 63.9940 120.7260 44.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 63.9210 120.5130 46.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 62.4590 120.5550 46.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 62.5770 119.9940 48.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 61.2090 119.9620 48.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 61.2050 118.7180 49.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 60.3980 118.9890 50.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 M CHG 1 2 1 M END $$$$ 832212 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 -0.5210 -37.9300 21.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5860 -34.6800 20.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0330 -34.0820 23.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7730 -34.9520 23.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0390 -36.2830 21.2240 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 -35.6590 23.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 -36.7050 23.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -37.0360 21.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 -35.2620 21.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -37.6250 24.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 -35.2420 25.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7000 -33.8680 23.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 -34.1450 25.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -38.5620 25.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0550 -36.9520 24.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -33.8700 27.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -33.4020 24.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9910 -33.9920 24.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2320 -34.8050 23.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -32.8400 27.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -32.3750 25.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -32.0950 26.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1470 -35.9420 22.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4300 -34.5070 24.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2580 -36.7930 22.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5480 -35.3460 24.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4670 -36.5000 23.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 9 2 0 0 0 0 3 12 1 0 0 0 0 3 18 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 18 19 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 23 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 M END $$$$ 832225 OpenBabel12061010053D 20 21 0 0 0 0 0 0 0 0999 V2000 25.1410 -21.9550 62.1080 F 0 0 0 0 0 0 0 0 0 0 0 0 25.5930 -21.3260 64.0950 F 0 0 0 0 0 0 0 0 0 0 0 0 23.5580 -21.7630 63.5420 F 0 0 0 0 0 0 0 0 0 0 0 0 28.1740 -28.6650 61.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7350 -29.5800 59.8720 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1000 -26.8580 62.5410 N 0 0 0 0 0 0 0 0 0 0 0 0 25.0380 -23.5560 63.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8220 -22.1220 63.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6530 -25.8650 63.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3320 -27.8840 62.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9190 -29.0170 61.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4750 -24.5550 62.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7880 -23.8910 65.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4060 -26.1770 64.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3770 -29.0830 60.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9620 -27.9310 62.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9740 -25.1930 65.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1110 -30.0590 60.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2010 -28.9960 61.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7490 -30.0440 61.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 8 1 0 0 0 0 3 8 1 0 0 0 0 4 15 2 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 13 2 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 16 2 0 0 0 0 11 15 1 0 0 0 0 11 18 2 0 0 0 0 13 17 1 0 0 0 0 14 17 2 0 0 0 0 16 19 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 M END $$$$ 832227 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 -14.2130 1.3930 12.7040 S 0 0 0 0 0 0 0 0 0 0 0 0 -14.7600 1.5540 14.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.3070 1.6160 11.7040 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.0080 2.4590 12.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6450 -6.9870 14.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5240 -1.6690 13.2010 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7360 -4.0990 13.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.5620 -0.2610 12.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1250 -0.5140 12.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0860 -2.9900 12.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0690 -1.5700 13.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1400 -4.1310 12.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1750 -2.7530 13.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9180 -5.2160 12.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1660 -6.0100 13.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 14 15 1 0 0 0 0 M END $$$$ 832245 OpenBabel12061010053D 14 15 0 0 0 0 0 0 0 0999 V2000 53.0560 153.3840 24.7420 N 0 0 0 0 0 0 0 0 0 0 0 0 51.6660 154.3070 26.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 52.1180 154.4360 25.1380 C 0 0 1 0 0 0 0 0 0 0 0 0 51.8480 155.4620 27.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 52.7910 155.8190 25.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 52.4620 156.5410 26.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 51.1110 153.1880 27.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 51.4930 155.5650 28.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.7560 153.2740 28.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 50.9370 154.4510 29.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 53.0200 152.9490 23.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 53.9140 152.8990 25.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 53.9670 151.8430 23.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 53.9880 151.3540 21.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 2 0 0 0 0 3 1 1 1 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 10 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 M END $$$$ 832269 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 78.1680 56.5210 63.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 74.7050 55.3140 64.9750 O 0 0 0 0 0 0 0 0 0 0 0 0 77.6070 55.0410 65.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 74.7240 55.8540 62.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 76.6000 57.7570 62.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 78.8660 57.8400 66.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 75.6580 56.1530 64.3430 C 0 0 1 0 0 0 0 0 0 0 0 0 76.9420 56.2750 65.1740 C 0 0 2 0 0 0 0 0 0 0 0 0 75.9050 55.6760 62.8950 C 0 0 2 0 0 0 0 0 0 0 0 0 77.8580 57.1940 64.3770 C 0 0 1 0 0 0 0 0 0 0 0 0 77.0570 56.4440 62.2700 C 0 0 2 0 0 0 0 0 0 0 0 0 79.1370 57.5440 65.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 832271 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 8.4370 31.4750 46.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4540 27.8710 46.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0600 28.5660 48.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8050 30.3190 47.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 29.3570 42.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2010 30.2460 44.9120 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1650 32.3510 44.4160 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5980 30.1380 45.2980 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7010 29.2160 46.5270 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0760 29.3080 47.1870 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1350 31.5440 45.6170 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4060 30.7700 47.4650 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7340 31.0060 48.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8010 29.8710 43.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3320 30.1040 43.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 832277 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 8.5930 31.4930 46.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8890 27.7630 45.7650 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3050 28.4430 48.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9650 30.2310 47.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 29.1270 42.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6330 30.0370 44.5390 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2910 32.3480 44.3830 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9650 30.0630 45.1040 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0280 29.0860 46.2700 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3540 29.2250 47.0250 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3070 31.4820 45.5480 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5930 30.6870 47.3890 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8990 30.9190 48.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4550 29.6480 43.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0740 29.8790 42.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 832279 OpenBabel12061010053D 13 13 0 0 0 0 0 0 0 0999 V2000 28.6800 50.6520 39.8110 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4410 50.5080 42.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4650 48.9840 42.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1350 51.5090 40.9370 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7630 47.4550 39.9030 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9400 49.6730 37.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8230 49.2900 41.5550 C 0 0 2 0 0 0 0 0 0 0 0 0 27.0680 50.8400 41.7310 C 0 0 1 0 0 0 0 0 0 0 0 0 26.9930 48.8680 40.0660 C 0 0 1 0 0 0 0 0 0 0 0 0 28.4920 51.1820 41.2080 C 0 0 2 0 0 0 0 0 0 0 0 0 28.4510 49.2080 39.5870 C 0 0 1 0 0 0 0 0 0 0 0 0 28.7220 48.8660 38.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8740 50.6650 41.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 13 1 0 0 0 0 6 12 1 0 0 0 0 7 3 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 4 1 6 0 0 0 8 10 1 0 0 0 0 9 5 1 1 0 0 0 9 11 1 0 0 0 0 10 2 1 6 0 0 0 11 12 1 6 0 0 0 M END $$$$ 832283 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 10.9670 3.9690 -17.7880 S 0 0 0 0 0 0 0 0 0 0 0 0 15.4860 -2.0650 -21.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0620 2.6010 -19.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4700 0.5090 -18.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1940 -1.2920 -20.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6820 -0.2220 -18.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6470 0.3000 -19.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1850 1.4530 -17.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0520 -1.1260 -19.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9960 -0.5870 -20.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1750 2.3090 -17.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0060 2.7470 -18.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 5 1 0 0 0 0 3 12 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 8 11 2 0 0 0 0 11 12 1 0 0 0 0 M END $$$$ 832286 OpenBabel12061010053D 21 21 0 0 0 0 0 0 0 0999 V2000 33.1990 49.3760 8.7080 N 0 0 0 0 0 0 0 0 0 0 0 0 40.4720 54.8330 2.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 40.7450 53.5090 1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 41.6440 53.4640 0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 41.2490 56.0810 1.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 40.0760 52.2340 1.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 42.4100 54.7610 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 41.7980 56.0950 0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 40.8800 54.6370 3.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 38.9880 55.3160 2.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 39.1540 51.9090 2.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 42.0530 52.3260 -0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 38.5040 50.6400 2.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6430 50.6850 3.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8860 49.4950 4.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 38.7660 49.4420 1.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2580 48.7010 5.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 36.1040 49.6980 5.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6320 49.2730 6.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1410 47.2960 5.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7150 48.6450 7.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 4 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 5 8 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 15 18 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 19 21 1 0 0 0 0 M END $$$$ 832321 OpenBabel12061010053D 29 32 0 0 0 0 0 0 0 0999 V2000 13.3830 131.7160 -3.4630 Cl 0 0 0 0 0 0 0 0 0 0 0 0 18.1530 135.8470 -3.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5930 135.2440 -2.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5610 135.2050 -0.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1010 132.8670 1.7030 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0960 132.9550 3.6540 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2850 131.7720 -5.2800 N 0 0 0 0 0 0 0 0 0 0 0 0 19.5940 134.1260 1.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8710 135.6640 -2.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5640 135.0030 -2.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7520 135.2070 0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9500 135.8910 -1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3270 135.0420 -0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2640 135.6430 0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9610 134.2440 3.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8640 132.3200 0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8090 132.1520 2.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0290 133.7270 -2.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0290 135.9470 -3.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0510 132.2050 -0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9770 133.3240 -3.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9670 135.5440 -4.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4390 134.2310 -4.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6150 132.5930 -1.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7360 131.7180 -0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5860 131.9940 -3.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8810 132.4830 -3.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0070 131.6100 -1.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8950 131.8780 -4.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 9 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 15 1 0 0 0 0 6 17 2 0 0 0 0 7 29 3 0 0 0 0 8 11 1 0 0 0 0 8 15 2 0 0 0 0 9 12 1 0 0 0 0 10 18 1 0 0 0 0 10 19 2 0 0 0 0 13 14 1 0 0 0 0 16 20 1 0 0 0 0 18 21 2 0 0 0 0 19 22 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 24 27 1 0 0 0 0 25 28 2 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 M END $$$$ 832341 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 38.3050 48.6270 211.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 40.9920 45.6940 210.4920 O 0 0 0 0 0 0 0 0 0 0 0 0 38.9590 46.7000 208.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 37.3340 50.3630 209.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 43.2710 49.4040 211.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 41.7410 47.8970 212.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 39.5120 50.3320 212.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 40.4040 47.6500 211.8090 C 0 0 2 0 0 0 0 0 0 0 0 0 40.4440 46.9990 210.3910 C 0 0 2 0 0 0 0 0 0 0 0 0 39.0630 47.0350 209.6690 C 0 0 1 0 0 0 0 0 0 0 0 0 39.4670 48.8900 211.9080 C 0 0 2 0 0 0 0 0 0 0 0 0 38.6240 48.4920 209.8000 C 0 0 1 0 0 0 0 0 0 0 0 0 37.4700 48.9570 208.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 42.9460 48.2370 211.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 43.9620 47.1290 211.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 832383 OpenBabel12061010053D 8 7 0 0 0 0 0 0 0 0999 V2000 -5.9200 28.8580 43.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6360 29.1800 44.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5980 28.8790 42.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4580 28.1490 45.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5050 30.3400 41.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7760 28.7950 47.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7930 30.7740 41.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0040 28.0680 48.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 M END $$$$ 832389 OpenBabel12061010053D 28 30 0 0 0 0 0 0 0 0999 V2000 42.4490 4.4340 36.4190 P 0 0 0 0 0 0 0 0 0 0 0 0 40.9580 5.6460 34.2020 P 0 0 0 0 0 0 0 0 0 0 0 0 46.8330 3.5000 36.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 44.0320 4.1270 36.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 42.2720 5.1400 34.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 46.2960 2.2790 39.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 46.1660 0.6140 37.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 49.8250 8.3750 39.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 42.1940 5.3680 37.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 41.6400 3.1670 36.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 40.6710 4.7760 33.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 39.8120 5.7440 35.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 41.3240 7.0740 33.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 47.4290 4.7540 38.2200 N 0 0 0 0 0 0 0 0 0 0 0 0 47.2310 6.9020 38.7060 N 0 0 0 0 0 0 0 0 0 0 0 0 49.7970 4.5210 38.4500 N 0 0 0 0 0 0 0 0 0 0 0 0 50.9230 6.4990 39.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 52.1480 4.5510 38.5740 N 0 0 0 0 0 0 0 0 0 0 0 0 47.1480 3.4270 37.8010 C 0 0 1 0 0 0 0 0 0 0 0 0 48.6320 5.1950 38.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 45.9410 2.7880 38.4370 C 0 0 1 0 0 0 0 0 0 0 0 0 48.5470 6.5270 38.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 45.7970 2.5710 36.0950 C 0 0 1 0 0 0 0 0 0 0 0 0 45.4780 1.8420 37.3820 C 0 0 1 0 0 0 0 0 0 0 0 0 46.5340 5.8390 38.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 49.7470 7.1980 39.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 44.5680 3.2430 35.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 50.9490 5.1710 38.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 9 2 0 0 0 0 1 10 1 0 0 0 0 2 5 1 0 0 0 0 2 11 2 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 19 1 0 0 0 0 3 23 1 0 0 0 0 4 27 1 0 0 0 0 8 26 2 0 0 0 0 14 20 1 0 0 0 0 14 25 1 0 0 0 0 15 22 1 0 0 0 0 15 25 2 0 0 0 0 16 20 1 0 0 0 0 16 28 2 0 0 0 0 17 26 1 0 0 0 0 17 28 1 0 0 0 0 18 28 1 0 0 0 0 19 14 1 6 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 21 6 1 6 0 0 0 21 24 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 1 0 0 0 24 7 1 6 0 0 0 M END $$$$ 832481 OpenBabel12061010053D 21 21 0 0 0 0 0 0 0 0999 V2000 -41.4430 -2.3380 39.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 -42.4860 -2.5880 36.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 -40.1730 -1.6360 33.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 -37.5630 1.8680 41.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -38.5830 0.7220 40.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -36.6340 2.2760 39.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -36.3460 3.6880 39.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -39.9580 1.0440 40.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -38.2410 -0.6560 40.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -40.5480 -1.2940 39.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -40.9220 0.0760 40.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -39.1950 -1.6260 40.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -38.3770 3.0860 41.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -36.6360 1.2710 42.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -35.4630 3.5520 37.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -37.6430 4.4860 38.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -35.5080 4.5760 40.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -42.4140 -2.1570 38.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -42.3050 -3.2630 37.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -41.4290 -2.8130 35.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -41.2850 -1.5160 34.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 M END $$$$ 832572 OpenBabel12061010053D 24 25 0 0 0 0 0 0 0 0999 V2000 55.5740 10.9210 5.2960 P 0 0 0 0 0 0 0 0 0 0 0 0 54.2170 12.2720 2.9730 P 0 0 0 0 0 0 0 0 0 0 0 0 57.4780 8.0220 3.1670 O 0 0 0 0 0 0 0 0 0 0 0 0 54.7650 12.0220 4.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 55.4220 9.6520 4.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 54.7220 10.7270 6.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 57.0300 11.3120 5.4810 O 0 0 0 0 0 0 0 0 0 0 0 0 55.9810 5.3130 4.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 52.8000 12.3070 3.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 54.5530 11.1660 2.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 54.7420 13.6070 2.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 61.3110 6.8790 2.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 62.6450 10.0670 5.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 59.7160 7.9460 3.9540 N 0 0 0 0 0 0 0 0 0 0 0 0 62.0180 8.4770 4.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 58.6080 7.2080 3.3320 C 0 0 1 0 0 0 0 0 0 0 0 0 56.4090 7.4670 3.9600 C 0 0 1 0 0 0 0 0 0 0 0 0 56.8880 6.4150 4.8750 C 0 0 2 0 0 0 0 0 0 0 0 0 58.2060 6.0600 4.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 55.8810 8.5010 4.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 61.0320 7.7030 3.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 59.4650 8.8730 4.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 61.7640 9.4350 5.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 60.3890 9.5950 5.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 9 2 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 5 20 1 0 0 0 0 12 21 2 0 0 0 0 13 23 2 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 15 21 1 0 0 0 0 15 23 1 0 0 0 0 16 14 1 1 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 1 0 0 0 18 8 1 6 0 0 0 18 19 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 M END $$$$ 832585 OpenBabel12061010053D 6 5 0 0 0 0 0 0 0 0999 V2000 -5.3150 36.1380 50.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5590 38.7380 49.9570 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 36.6870 51.2240 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7880 38.1920 51.2550 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8760 36.0080 52.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9930 38.9020 52.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 1 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 4 2 1 6 0 0 0 4 6 1 0 0 0 0 M END $$$$ 832595 OpenBabel12061010053D 20 21 0 0 0 0 0 0 0 0999 V2000 24.0820 -7.4660 -3.7200 P 0 0 0 0 0 0 0 0 0 0 0 0 23.3680 -10.0530 -7.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1270 -8.4650 -5.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1180 -6.8410 -8.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9310 -11.6020 -9.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0580 -7.8940 -2.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6270 -7.2770 -3.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3820 -6.0320 -4.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1080 -9.6730 -6.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8630 -10.0170 -7.6890 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5420 -10.6570 -7.7340 N 0 0 0 0 0 0 0 0 0 0 0 0 22.2740 -10.0430 -8.1470 C 0 0 1 0 0 0 0 0 0 0 0 0 24.2700 -8.9580 -7.4390 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4470 -7.8310 -8.0830 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4820 -8.7030 -8.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8330 -10.7820 -8.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9510 -8.4340 -6.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5690 -9.1420 -6.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2540 -9.7650 -6.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2840 -9.0000 -6.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 17 1 0 0 0 0 5 16 2 0 0 0 0 9 19 2 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 11 16 1 0 0 0 0 11 19 1 0 0 0 0 12 10 1 1 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 1 0 0 0 14 4 1 6 0 0 0 14 15 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 M END $$$$ 832604 OpenBabel12061010053D 30 33 0 0 0 0 0 0 0 0999 V2000 66.0770 -2.3820 8.4960 I 0 0 0 0 0 0 0 0 0 0 0 0 64.7330 4.6990 12.7040 O 0 0 0 0 0 0 0 0 0 0 0 0 54.0090 -4.3150 9.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 61.5800 1.6900 10.7740 N 0 0 0 0 0 0 0 0 0 0 0 0 56.9580 -2.6250 9.2060 N 0 0 0 0 0 0 0 0 0 0 0 0 56.0270 -3.4790 9.0970 N 0 0 0 0 0 0 0 0 0 0 0 0 63.2150 3.2920 11.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 57.0610 -1.6940 10.2250 C 0 0 2 0 0 0 0 0 0 0 0 0 61.9440 2.8970 11.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 58.2080 -0.7870 10.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 60.4780 0.9210 10.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 55.9310 -1.7220 11.3290 C 0 0 1 0 0 0 0 0 0 0 0 0 63.6500 4.5510 12.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 58.3190 0.0610 11.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 59.2420 -0.7720 9.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 64.4630 2.3940 11.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 59.4310 0.8880 11.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 60.3810 0.0900 9.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 60.9490 3.6210 12.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 64.6850 1.7000 9.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 54.6190 -2.2890 10.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 54.8330 -3.4730 9.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 62.5760 5.6440 12.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 60.9370 5.1950 12.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 65.1550 0.3260 9.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 64.4320 2.4140 8.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 56.4010 -2.5890 12.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 65.3740 -0.3470 8.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 64.6380 1.7810 7.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 65.1080 0.4050 7.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 13 2 0 0 0 0 3 22 2 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 22 1 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 1 0 0 0 8 12 1 0 0 0 0 9 19 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 12 21 1 0 0 0 0 12 27 1 6 0 0 0 13 23 1 0 0 0 0 14 17 1 0 0 0 0 15 18 2 0 0 0 0 16 20 1 0 0 0 0 19 24 1 0 0 0 0 20 25 2 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 25 28 1 0 0 0 0 26 29 2 0 0 0 0 28 30 2 0 0 0 0 29 30 1 0 0 0 0 M END $$$$ 832605 OpenBabel12061010053D 14 13 0 0 0 0 0 0 0 0999 V2000 40.6020 5.3040 11.4020 P 0 0 0 0 0 0 0 0 0 0 0 0 41.3830 6.7180 11.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 40.6590 5.0330 12.9060 O 0 0 0 0 0 0 0 0 0 0 0 0 41.4380 4.3310 10.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 39.1380 5.5260 11.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 41.0510 9.6090 13.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 43.3870 9.3290 11.7080 O 0 0 0 0 0 0 0 0 0 0 0 0 44.1080 10.3020 14.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 44.4840 8.6560 16.2390 O 0 0 0 0 0 0 0 0 0 0 0 0 43.8800 8.2270 15.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 41.5980 8.3800 13.0150 C 0 0 2 0 0 0 0 0 0 0 0 0 43.1030 8.4940 12.8020 C 0 0 2 0 0 0 0 0 0 0 0 0 40.8680 7.9690 11.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 43.7430 9.0360 14.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 13 1 0 0 0 0 8 14 2 0 0 0 0 9 10 1 0 0 0 0 10 14 1 0 0 0 0 11 6 1 6 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 7 1 1 0 0 0 12 14 1 0 0 0 0 M END $$$$ 832641 OpenBabel12061010053D 20 22 0 0 0 0 0 0 0 0999 V2000 23.0230 18.9790 35.1990 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5410 17.8260 37.2840 N 0 0 0 0 0 0 0 0 0 0 0 0 24.1220 20.0860 37.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8020 19.7780 34.1590 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5420 21.0900 34.6510 N 0 0 0 0 0 0 0 0 0 0 0 0 21.1830 17.8300 33.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4830 17.8600 34.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6830 16.7430 33.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2500 18.9260 34.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9380 18.8490 33.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3950 16.7010 32.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3130 16.7190 34.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5620 15.6140 32.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5720 18.9340 36.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5180 17.7660 32.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8470 15.6040 33.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1080 19.8910 34.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0170 17.7610 38.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5650 20.0590 38.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6220 18.9260 39.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 14 1 0 0 0 0 2 14 2 0 0 0 0 2 18 1 0 0 0 0 3 14 1 0 0 0 0 3 19 2 0 0 0 0 4 17 2 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 12 2 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 11 15 2 0 0 0 0 12 16 1 0 0 0 0 13 16 2 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 M END $$$$ 832705 OpenBabel12061010053D 29 31 0 0 0 0 0 0 0 0999 V2000 143.5870 -22.6790 69.9320 Br 0 0 0 0 0 0 0 0 0 0 0 0 144.3110 -23.9860 72.4170 O 0 0 0 0 0 0 0 0 0 0 0 0 140.8520 -23.3510 68.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 142.8260 -25.9160 72.1760 N 0 0 0 0 0 0 0 0 0 0 0 0 141.4440 -26.1290 70.2910 N 0 0 0 0 0 0 0 0 0 0 0 0 141.3690 -27.7970 71.9280 N 0 0 0 0 0 0 0 0 0 0 0 0 146.0820 -26.7600 78.3390 N 0 0 0 0 0 0 0 0 0 0 0 0 143.1690 -32.2430 76.7790 N 0 0 0 0 0 0 0 0 0 0 0 0 143.3260 -24.7320 71.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 142.8840 -24.2400 70.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 144.7070 -24.5490 73.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 141.9170 -24.9540 69.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 141.8820 -26.6200 71.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 143.9660 -24.2740 74.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 145.8350 -25.4200 73.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 145.4600 -25.7240 76.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 144.3560 -24.8560 76.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 146.2100 -25.9990 74.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 141.8320 -28.6130 72.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 141.3650 -24.5000 68.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 142.7550 -23.3370 74.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 146.6580 -25.7190 72.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 142.9960 -28.3540 73.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 141.0980 -29.7830 73.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 145.8070 -26.3060 77.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 142.5950 -30.4580 74.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 143.3820 -29.2810 74.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 141.4730 -30.6940 74.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 142.9290 -31.4300 75.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 20 2 0 0 0 0 4 9 2 0 0 0 0 4 13 1 0 0 0 0 5 12 1 0 0 0 0 5 13 2 0 0 0 0 6 13 1 0 0 0 0 6 19 1 0 0 0 0 7 25 3 0 0 0 0 8 29 3 0 0 0 0 9 10 1 0 0 0 0 10 12 2 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 20 1 0 0 0 0 14 17 1 0 0 0 0 14 21 1 0 0 0 0 15 18 2 0 0 0 0 15 22 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 16 25 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 23 27 1 0 0 0 0 24 28 2 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 M END $$$$ 832719 OpenBabel12061010053D 16 17 0 0 0 0 0 0 0 0999 V2000 11.0380 20.5580 20.5830 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5460 22.7010 18.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0450 15.9200 17.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7530 15.0080 18.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5710 21.7110 17.8510 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5410 23.3110 19.3300 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9540 21.7700 18.2320 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9390 22.9030 19.2940 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4940 20.4790 18.7970 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7770 22.5900 18.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4720 22.3320 20.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1330 19.1590 18.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8760 17.9300 18.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5780 16.5930 18.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4110 15.4940 18.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8220 15.4720 18.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 10 2 0 0 0 0 3 16 2 0 0 0 0 4 16 1 0 0 0 0 5 10 1 0 0 0 0 6 10 1 0 0 0 0 7 5 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 6 1 1 0 0 0 8 11 1 0 0 0 0 9 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 M END $$$$ 832732 OpenBabel12061010053D 11 11 0 0 0 0 0 0 0 0999 V2000 4.9530 29.6520 16.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9600 31.7430 16.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6310 33.7070 15.8550 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 31.2830 13.1000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0310 32.0230 15.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4120 30.6700 15.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2710 32.4460 16.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 33.0120 14.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2530 30.4520 14.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 31.4880 13.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 32.7480 13.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 7 2 0 0 0 0 3 7 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 8 11 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 M END $$$$ 832756 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 -6.5700 -22.8820 11.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6970 -24.1700 14.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5890 -25.1140 11.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2420 -20.8530 11.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9140 -25.0760 9.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4460 -23.0650 16.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1730 -21.8190 14.6750 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5120 -22.7020 13.5810 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2720 -23.4410 13.0760 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7080 -24.3990 11.9440 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1880 -21.9470 12.4350 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4380 -23.5970 10.8520 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9730 -24.4830 9.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6920 -22.0480 15.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6390 -21.0040 16.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 8 7 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 4 1 6 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 832783 OpenBabel12061010053D 45 48 0 0 0 0 0 0 0 0999 V2000 3.1800 55.5090 30.1560 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 57.7550 30.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 53.0270 28.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 57.9780 33.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 51.2140 29.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3940 59.8580 35.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 49.5200 32.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9890 53.7910 28.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0300 55.6810 30.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0590 56.8330 32.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1020 51.1820 28.4540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 48.4170 28.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 56.2820 35.9360 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8280 57.4300 38.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8280 47.4120 31.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8790 60.0550 37.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6670 47.9690 33.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 55.1750 30.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 59.0460 30.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 52.1380 33.5010 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8390 62.4020 34.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7550 54.5370 29.2830 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9300 56.6400 29.8650 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9500 57.9420 32.4370 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7210 53.3700 29.3020 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8630 51.9080 28.6980 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1820 56.7620 30.6360 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8610 56.7700 32.1380 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2490 52.3060 28.3680 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3860 54.0600 29.6880 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6670 57.8000 31.6010 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0570 50.3470 30.3850 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5070 58.4290 34.8680 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5930 48.9460 30.0380 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2830 57.6910 36.1920 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8980 50.6320 31.8430 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9920 58.1050 36.9120 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4960 47.8790 31.0580 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0430 59.6410 37.1190 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1840 60.3260 35.7470 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8670 48.2150 32.3820 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3630 55.1450 29.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 58.9490 31.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 51.7560 32.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 61.8160 35.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 2 23 1 0 0 0 0 2 31 1 0 0 0 0 3 26 1 0 0 0 0 3 30 1 0 0 0 0 6 33 1 0 0 0 0 6 40 1 0 0 0 0 7 36 1 0 0 0 0 7 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 22 1 1 1 0 0 0 22 25 1 0 0 0 0 22 30 1 0 0 0 0 23 1 1 1 0 0 0 23 27 1 0 0 0 0 24 4 1 1 0 0 0 24 28 1 0 0 0 0 24 31 1 0 0 0 0 25 8 1 6 0 0 0 25 29 1 0 0 0 0 26 5 1 1 0 0 0 26 29 1 0 0 0 0 27 9 1 1 0 0 0 27 28 1 0 0 0 0 28 10 1 6 0 0 0 29 11 1 1 0 0 0 30 42 1 6 0 0 0 31 43 1 6 0 0 0 32 5 1 1 0 0 0 32 34 1 0 0 0 0 32 36 1 0 0 0 0 33 4 1 1 0 0 0 33 35 1 0 0 0 0 34 12 1 1 0 0 0 34 38 1 0 0 0 0 35 13 1 6 0 0 0 35 37 1 0 0 0 0 36 44 1 6 0 0 0 37 14 1 1 0 0 0 37 39 1 0 0 0 0 38 15 1 1 0 0 0 38 41 1 0 0 0 0 39 16 1 6 0 0 0 39 40 1 0 0 0 0 40 45 1 1 0 0 0 41 17 1 6 0 0 0 M END $$$$ 832785 OpenBabel12061010053D 13 12 0 0 0 0 0 0 0 0999 V2000 54.1880 -33.1710 20.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 53.3760 -33.1150 16.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 51.9090 -32.5950 17.7020 O 0 0 0 0 0 0 0 0 0 0 0 0 55.3590 -35.1610 18.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 56.3070 -33.7990 17.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 54.6670 -28.9160 17.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 53.8700 -28.2700 19.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 54.1870 -31.8090 17.9790 C 0 0 1 0 0 0 0 0 0 0 0 0 54.9730 -32.7630 18.9360 C 0 0 2 0 0 0 0 0 0 0 0 0 53.0780 -32.5620 17.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 55.5630 -34.0570 18.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 53.6180 -30.5960 18.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 54.1360 -29.2110 18.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 2 10 2 0 0 0 0 3 10 1 0 0 0 0 4 11 2 0 0 0 0 5 11 1 0 0 0 0 6 13 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 1 0 0 0 8 12 1 0 0 0 0 9 1 1 6 0 0 0 9 11 1 0 0 0 0 12 13 1 0 0 0 0 M END $$$$ 832786 OpenBabel12061010053D 5 4 0 0 0 0 0 0 0 0999 V2000 14.7150 70.4580 11.5550 S 0 0 0 0 0 0 0 0 0 0 0 0 18.4720 70.7570 12.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2240 69.2000 12.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3780 70.3350 12.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1560 71.2610 12.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 4 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 M END $$$$ 832799 OpenBabel12061010053D 9 9 0 0 0 0 0 0 0 0999 V2000 26.6600 17.7010 4.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1830 19.5410 5.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9850 21.1590 2.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9750 21.1140 3.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4890 18.7250 3.3220 N 0 0 0 0 0 0 0 0 0 0 0 0 25.7940 17.8990 5.3230 N 0 0 0 0 0 0 0 0 0 0 0 0 25.5580 19.5250 3.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0970 18.9900 5.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1150 20.7000 3.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 8 2 0 0 0 0 3 9 2 0 0 0 0 4 9 1 0 0 0 0 5 7 2 0 0 0 0 6 8 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 M END $$$$ 832813 OpenBabel12061010053D 9 9 0 0 0 0 0 0 0 0999 V2000 11.7200 114.0910 34.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5360 112.4270 33.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9420 111.7220 36.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8540 113.7320 36.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3810 113.8880 35.3580 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5380 113.5220 33.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4840 113.2310 35.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6000 113.0020 33.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4860 112.8600 36.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 8 2 0 0 0 0 3 9 2 0 0 0 0 4 9 1 0 0 0 0 5 7 2 0 0 0 0 6 8 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 M END $$$$ 832840 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 -14.8290 0.2220 12.1710 P 0 0 0 0 0 0 0 0 0 0 0 0 -16.3050 2.5100 13.0480 P 0 0 0 0 0 0 0 0 0 0 0 0 -15.9010 0.6990 7.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.4320 0.5640 10.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.9280 1.6920 12.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.1870 3.4590 6.8560 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.2010 3.9240 9.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.6380 -0.8370 12.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.3470 -0.0560 11.9440 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.4020 1.4800 13.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.2390 3.4830 11.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.3050 3.1540 14.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.1000 0.0790 7.5850 N 0 0 0 0 0 0 0 0 0 0 0 0 -19.3510 -1.2580 8.7650 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.4960 -1.0490 5.4010 N 0 0 0 0 0 0 0 0 0 0 0 0 -19.9220 -2.9760 5.4780 N 0 0 0 0 0 0 0 0 0 0 0 0 -20.8640 -3.6900 7.4800 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.1730 1.1520 7.2410 C 0 0 1 0 0 0 0 0 0 0 0 0 -18.5860 -0.8090 6.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5170 2.4930 7.8520 C 0 0 1 0 0 0 0 0 0 0 0 0 -15.3500 1.7030 8.5880 C 0 0 1 0 0 0 0 0 0 0 0 0 -16.5520 2.5720 9.0220 C 0 0 1 0 0 0 0 0 0 0 0 0 -19.4160 -1.7150 7.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5380 -0.1820 8.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5550 1.0310 9.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.0760 -2.8350 6.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.1420 -2.0920 4.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 1 0 0 0 0 15 27 2 0 0 0 0 16 26 2 0 0 0 0 16 27 1 0 0 0 0 17 26 1 0 0 0 0 18 13 1 1 0 0 0 18 20 1 0 0 0 0 19 23 2 0 0 0 0 20 6 1 6 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 1 0 0 0 22 7 1 6 0 0 0 23 26 1 0 0 0 0 M END $$$$ 832886 OpenBabel12061010053D 19 18 0 0 0 0 0 0 0 0999 V2000 1.8630 13.9390 3.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 13.1610 3.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 11.7320 2.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1860 6.4920 7.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3500 10.6890 5.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8620 7.7380 5.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3440 8.6660 6.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 10.3190 5.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7540 8.5320 6.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 11.6110 4.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8930 7.7150 7.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3900 9.8970 6.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4650 7.8010 5.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 12.7720 3.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 12.0340 4.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 10.9070 2.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6050 10.2080 5.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3560 9.2980 6.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9370 9.1440 6.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 17 19 1 0 0 0 0 18 19 1 0 0 0 0 M END $$$$ 832923 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 81.6370 278.0260 248.6170 O 0 0 0 0 0 0 0 0 0 0 0 0 78.0140 275.9920 248.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 78.0510 278.7680 249.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 80.4100 279.4460 251.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 81.5640 273.2550 247.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 80.2480 275.0550 246.9040 N 0 0 0 0 0 0 0 0 0 0 0 0 82.7570 276.2910 247.4230 N 0 0 0 0 0 0 0 0 0 0 0 0 80.3710 276.0840 247.9140 C 0 0 2 0 0 0 0 0 0 0 0 0 79.0690 276.8690 248.0310 C 0 0 2 0 0 0 0 0 0 0 0 0 79.2250 277.9670 249.0870 C 0 0 1 0 0 0 0 0 0 0 0 0 81.5160 277.0370 247.5800 C 0 0 1 0 0 0 0 0 0 0 0 0 80.4450 278.8430 248.7570 C 0 0 1 0 0 0 0 0 0 0 0 0 80.7400 279.8990 249.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 80.4530 273.7870 247.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 79.2400 272.9900 247.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 832928 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 241.0800 30.1980 92.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 240.1210 32.0420 93.6650 O 0 0 0 0 0 0 0 0 0 0 0 0 242.0910 31.5410 95.8760 N 0 0 0 0 0 0 0 0 0 0 0 0 242.4270 31.4830 94.4600 C 0 0 1 0 0 0 0 0 0 0 0 0 243.9210 29.1840 95.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 243.6260 30.4580 94.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 241.1450 31.2140 93.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 243.5500 29.0070 96.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 244.6280 28.0720 94.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 243.8690 27.7970 97.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 244.9600 26.8490 95.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 244.5650 26.7150 96.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 7 1 0 0 0 0 4 3 1 1 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 11 12 1 0 0 0 0 M END $$$$ 832934 OpenBabel12061010053D 8 7 0 0 0 0 0 0 0 0999 V2000 31.6840 51.9310 -2.4080 P 0 0 0 0 0 0 0 0 0 0 0 0 31.9820 51.0760 -1.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 30.3260 51.5400 -3.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 31.6590 53.6430 -1.9730 O 0 0 0 0 0 0 0 0 0 0 0 0 33.0410 51.7840 -3.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 35.3450 51.1650 -0.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 32.9810 51.4730 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3140 51.5320 -0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 7 1 0 0 0 0 6 8 2 0 0 0 0 7 8 1 0 0 0 0 M END $$$$ 832945 OpenBabel12061010053D 23 24 0 0 0 0 0 0 0 0999 V2000 -67.5720 12.9650 20.3920 O 0 0 0 0 0 0 0 0 0 0 0 0 -68.2860 14.2510 22.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 -66.2690 11.2170 20.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 -69.3510 13.8190 18.7140 O 0 0 0 0 0 0 0 0 0 0 0 0 -65.7510 14.9140 20.9690 O 0 0 0 0 0 0 0 0 0 0 0 0 -70.0730 16.7880 19.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 -63.4720 13.9890 19.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 -68.1060 17.6840 21.1490 O 0 0 0 0 0 0 0 0 0 0 0 0 -64.7220 11.9630 17.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 -69.6070 17.1040 23.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 -65.3020 8.7150 20.6390 O 0 0 0 0 0 0 0 0 0 0 0 0 -68.7190 13.5860 21.0410 C 0 0 1 0 0 0 0 0 0 0 0 0 -66.4070 12.5380 21.1430 C 0 0 1 0 0 0 0 0 0 0 0 0 -69.4020 14.4340 19.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -65.4140 13.5670 20.7150 C 0 0 1 0 0 0 0 0 0 0 0 0 -69.1960 15.9350 19.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -64.7210 13.4180 19.4150 C 0 0 2 0 0 0 0 0 0 0 0 0 -68.8450 16.5240 21.3360 C 0 0 1 0 0 0 0 0 0 0 0 0 -68.2420 15.6470 22.4150 C 0 0 1 0 0 0 0 0 0 0 0 0 -64.6300 11.9890 18.8700 C 0 0 1 0 0 0 0 0 0 0 0 0 -65.5410 10.8990 19.4680 C 0 0 1 0 0 0 0 0 0 0 0 0 -68.9940 15.8280 23.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -64.7050 9.6230 19.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 0 2 19 1 0 0 0 0 3 13 1 0 0 0 0 3 21 1 0 0 0 0 4 14 1 0 0 0 0 6 16 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 1 1 6 0 0 0 12 14 1 0 0 0 0 13 1 1 6 0 0 0 13 15 1 0 0 0 0 14 16 2 0 0 0 0 15 5 1 6 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 7 1 1 0 0 0 17 20 1 0 0 0 0 18 8 1 6 0 0 0 18 19 1 0 0 0 0 19 22 1 6 0 0 0 20 9 1 6 0 0 0 20 21 1 0 0 0 0 21 23 1 1 0 0 0 M END $$$$ 832970 OpenBabel12061010053D 5 4 0 0 0 0 0 0 0 0999 V2000 22.7070 30.5970 69.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5270 29.9310 69.3080 N 0 0 0 0 0 0 0 0 0 0 0 0 21.7970 30.0940 69.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2560 29.0200 68.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4830 30.6870 69.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 M END $$$$ 833011 OpenBabel12061010053D 17 16 0 0 0 0 0 0 0 0999 V2000 39.0290 42.0690 -3.4140 O 0 0 0 0 0 0 0 0 0 0 0 0 37.3230 38.0740 -5.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 39.3340 37.6180 -5.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 37.7160 40.2980 -3.8810 N 0 0 0 0 0 0 0 0 0 0 0 0 35.4550 41.6520 -3.7630 N 0 0 0 0 0 0 0 0 0 0 0 0 37.6050 34.6880 -1.2000 N 0 0 0 0 0 0 0 0 0 0 0 0 38.8600 39.4370 -4.1680 C 0 0 2 0 0 0 0 0 0 0 0 0 37.9170 41.5920 -3.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 36.6410 42.4160 -3.3940 C 0 0 2 0 0 0 0 0 0 0 0 0 38.4860 38.3190 -5.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 36.4980 42.8520 -1.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 39.3550 38.8390 -2.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 38.2620 38.0760 -2.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7030 41.6550 -1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 37.5300 43.9150 -1.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 38.7940 36.8050 -1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 38.3240 35.5350 -2.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 10 2 0 0 0 0 3 10 1 0 0 0 0 4 8 1 0 0 0 0 6 17 1 0 0 0 0 7 4 1 1 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 9 8 1 1 0 0 0 9 5 1 0 0 0 0 9 11 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 M END $$$$ 833106 OpenBabel12061010053D 21 23 0 0 0 0 0 0 0 0999 V2000 142.2510 -28.4000 75.5850 Cl 0 0 0 0 0 0 0 0 0 0 0 0 141.9880 -24.1100 68.7920 S 0 0 0 0 0 0 0 0 0 0 0 0 143.5290 -24.5470 71.2410 N 0 0 0 0 0 0 0 0 0 0 0 0 141.5670 -25.8320 71.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 145.6450 -23.2780 73.2090 N 0 0 0 0 0 0 0 0 0 0 0 0 143.3280 -25.4150 72.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 142.1750 -26.1770 72.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 144.2380 -25.4430 73.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 142.3710 -24.8220 70.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 144.6860 -23.7730 70.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 141.8300 -27.0550 73.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 145.5870 -24.7070 73.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 143.8930 -26.3640 74.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 145.3220 -22.8190 71.8420 C 0 0 2 0 0 0 0 0 0 0 0 0 142.6620 -27.1730 74.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 145.7910 -22.2900 74.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 146.6510 -22.5350 71.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 144.5000 -22.2350 74.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 144.1880 -21.7880 76.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 142.6430 -21.8990 76.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 145.3540 -21.2570 77.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 9 2 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 11 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 13 15 2 0 0 0 0 14 17 1 6 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 M END $$$$ 833113 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 25.0100 6.7030 33.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2680 5.4090 31.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5620 6.7060 32.6440 N 0 0 0 0 0 0 0 0 0 0 0 0 30.1000 4.8070 29.1720 N 0 0 0 0 0 0 0 0 0 0 0 0 26.6550 6.0280 31.6630 C 0 0 2 0 0 0 0 0 0 0 0 0 25.2070 6.0240 32.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2020 4.6400 31.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6940 4.6880 31.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3860 3.4960 31.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6170 3.9540 30.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 6 1 0 0 0 0 4 10 1 0 0 0 0 5 3 1 1 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 M END $$$$ 833152 OpenBabel12061010053D 22 24 0 0 0 0 0 0 0 0999 V2000 -119.0850 -39.5810 57.8250 O 0 0 0 0 0 0 0 0 0 0 0 0 -116.6720 -41.2440 57.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 -115.6260 -39.0290 58.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 -118.4910 -36.4710 58.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 -119.1200 -38.9810 55.4330 N 0 0 0 0 0 0 0 0 0 0 0 0 -119.8790 -37.1220 54.4250 N 0 0 0 0 0 0 0 0 0 0 0 0 -118.4920 -40.3300 53.4230 N 0 0 0 0 0 0 0 0 0 0 0 0 -118.9700 -39.1320 51.3750 N 0 0 0 0 0 0 0 0 0 0 0 0 -119.1520 -37.7270 60.4290 N 0 0 0 0 0 0 0 0 0 0 0 0 -119.8750 -36.9850 51.3240 N 0 0 0 0 0 0 0 0 0 0 0 0 -118.7470 -39.9740 56.4860 C 0 0 1 0 0 0 0 0 0 0 0 0 -118.9810 -39.2020 54.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -117.1910 -40.0150 56.5900 C 0 0 1 0 0 0 0 0 0 0 0 0 -118.0550 -38.9790 58.5530 C 0 0 1 0 0 0 0 0 0 0 0 0 -116.8730 -38.9020 57.5940 C 0 0 1 0 0 0 0 0 0 0 0 0 -119.4640 -38.0410 53.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -119.6680 -37.7210 55.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -119.4430 -38.0290 52.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -118.5530 -37.6760 59.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -118.5310 -40.1930 52.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -119.4750 -36.5130 61.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -118.7070 -36.5200 62.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 4 19 2 0 0 0 0 5 12 1 0 0 0 0 5 17 1 0 0 0 0 6 16 1 0 0 0 0 6 17 2 0 0 0 0 7 12 2 0 0 0 0 7 20 1 0 0 0 0 8 18 1 0 0 0 0 8 20 2 0 0 0 0 9 19 1 0 0 0 0 9 21 1 0 0 0 0 10 18 1 0 0 0 0 11 5 1 1 0 0 0 11 13 1 0 0 0 0 12 16 1 0 0 0 0 13 2 1 1 0 0 0 13 15 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 6 0 0 0 15 3 1 1 0 0 0 16 18 2 0 0 0 0 21 22 1 0 0 0 0 M END $$$$ 833233 OpenBabel12061010053D 5 4 0 0 0 0 0 0 0 0999 V2000 78.0110 2.4080 168.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 78.1070 3.5880 166.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 78.8940 1.9350 167.6560 C 0 0 1 0 0 0 0 0 0 0 0 0 79.2510 3.0850 166.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 80.1610 1.3980 168.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 1 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 M END $$$$ 833239 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 -11.5710 96.8250 16.1870 P 0 0 0 0 0 0 0 0 0 0 0 0 -8.7700 96.8750 16.0650 P 0 0 0 0 0 0 0 0 0 0 0 0 -12.5530 96.8180 20.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0920 96.8790 17.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1510 96.0950 16.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0690 96.6770 22.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0360 97.2540 19.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4890 95.9430 15.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3610 98.2280 15.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6860 95.8750 16.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8350 97.6750 14.8150 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6750 97.8930 17.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5480 94.5170 20.9230 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.1190 92.8030 19.5860 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.0320 93.5250 23.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.8400 91.2600 22.8840 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.1330 90.1810 20.8570 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.0550 95.8230 21.3610 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.9700 93.5040 21.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5270 95.9060 21.3330 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.4420 97.5520 19.9020 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.2840 96.5710 19.9820 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.3070 92.4550 20.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6710 94.0330 19.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8220 98.0030 18.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7670 91.2770 21.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4770 92.3590 23.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 18 13 1 6 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 6 1 6 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 6 0 0 0 22 7 1 1 0 0 0 23 26 2 0 0 0 0 M END $$$$ 833241 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 52.0340 21.2970 7.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 55.6060 22.1760 9.7860 O 0 0 0 0 0 0 0 0 0 0 0 0 55.6130 22.0540 6.8890 O 0 0 0 0 0 0 0 0 0 0 0 0 53.3680 20.2910 10.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 51.5690 23.3510 9.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 53.5550 21.5230 4.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 54.4080 22.3580 9.0340 C 0 0 1 0 0 0 0 0 0 0 0 0 54.5000 21.5800 7.6900 C 0 0 1 0 0 0 0 0 0 0 0 0 53.2070 21.7600 9.8620 C 0 0 1 0 0 0 0 0 0 0 0 0 53.1500 21.7670 6.9010 C 0 0 1 0 0 0 0 0 0 0 0 0 51.8840 21.9760 9.0410 C 0 0 2 0 0 0 0 0 0 0 0 0 53.1020 20.9300 5.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 6 0 0 0 M END $$$$ 833282 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 17.8050 10.0860 35.9360 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6980 11.6540 34.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3480 12.7200 37.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0600 10.5830 36.4000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3690 11.3000 38.5420 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6660 10.7950 35.0730 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2230 9.6820 34.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1720 10.7810 35.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5340 10.2530 32.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9460 11.5980 37.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3100 10.5220 31.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1160 10.5220 32.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6700 11.0460 30.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4720 11.0340 31.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2500 11.2860 30.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 8 1 0 0 0 0 3 10 2 0 0 0 0 4 10 1 0 0 0 0 5 10 1 0 0 0 0 6 4 1 1 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 2 0 0 0 0 13 15 2 0 0 0 0 14 15 1 0 0 0 0 M END $$$$ 833285 OpenBabel12061010053D 7 6 0 0 0 0 0 0 0 0999 V2000 27.5110 50.1500 58.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4540 50.2700 60.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8840 51.8720 59.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9220 50.0970 62.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2380 50.6540 59.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3490 50.1060 61.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3810 49.6870 60.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 2 6 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 7 1 0 0 0 0 M END $$$$ 833292 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 50.2650 55.1270 66.9040 O 0 0 0 0 0 0 0 0 0 0 0 0 52.7800 58.4090 67.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 50.0340 57.9420 66.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 53.6850 55.9710 65.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 51.4940 54.1580 65.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 47.8880 56.1620 67.6690 O 0 0 0 0 0 0 0 0 0 0 0 0 52.2690 57.1440 67.4150 C 0 0 1 0 0 0 0 0 0 0 0 0 50.8010 57.2850 67.8870 C 0 0 2 0 0 0 0 0 0 0 0 0 52.3280 56.2270 66.1840 C 0 0 2 0 0 0 0 0 0 0 0 0 50.2500 55.8880 68.1320 C 0 0 1 0 0 0 0 0 0 0 0 0 51.5990 54.8790 66.4440 C 0 0 1 0 0 0 0 0 0 0 0 0 48.8390 55.8820 68.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 833295 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 50.2770 54.8900 66.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 52.9760 58.0550 67.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 50.2090 57.7780 66.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 53.7220 55.5480 65.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 52.3120 53.8550 67.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 47.8940 55.9580 67.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 52.3550 56.8120 67.3500 C 0 0 1 0 0 0 0 0 0 0 0 0 50.9190 57.0350 67.8350 C 0 0 2 0 0 0 0 0 0 0 0 0 52.3750 55.8880 66.1460 C 0 0 2 0 0 0 0 0 0 0 0 0 50.2370 55.6870 68.1000 C 0 0 1 0 0 0 0 0 0 0 0 0 51.5990 54.6100 66.4430 C 0 0 2 0 0 0 0 0 0 0 0 0 48.7990 55.7570 68.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 1 0 0 0 M END $$$$ 833306 OpenBabel12061010053D 14 13 0 0 0 0 0 0 0 0999 V2000 -16.7700 87.7770 14.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.6000 83.2750 13.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5390 86.6370 11.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4600 85.5430 13.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.5410 85.6820 13.8900 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.0810 88.9710 15.2810 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.6700 82.3380 15.0760 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.5570 86.9850 14.2480 C 0 0 2 0 0 0 0 0 0 0 0 0 -16.0900 84.5990 14.7290 C 0 0 2 0 0 0 0 0 0 0 0 0 -15.6000 88.0280 14.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0290 87.3490 12.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3610 83.3210 14.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9420 86.4330 12.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3960 84.9570 16.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 12 2 0 0 0 0 3 13 2 0 0 0 0 4 13 1 0 0 0 0 6 10 1 0 0 0 0 7 12 1 0 0 0 0 8 5 1 6 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 5 1 6 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 11 13 1 0 0 0 0 M END $$$$ 833323 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 41.6580 49.5050 10.8290 P 0 0 0 0 0 0 0 0 0 0 0 0 43.1390 48.9160 11.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 45.5640 44.1520 12.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 41.0210 48.6100 9.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 42.0020 50.8870 10.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 41.0230 49.7470 12.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 47.3120 47.0940 11.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 43.1300 44.4920 12.2010 N 0 0 0 0 0 0 0 0 0 0 0 0 44.9860 47.3810 10.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 44.7170 46.1240 11.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 45.7890 45.3760 11.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 47.0880 45.8680 11.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 43.9090 48.2840 10.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 46.2820 47.8390 10.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 43.3010 45.5420 11.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 48.2840 45.0530 12.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 M END $$$$ 833345 OpenBabel12061010053D 13 13 0 0 0 0 0 0 0 0999 V2000 5.5340 41.2910 26.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9170 42.8750 26.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 39.3180 25.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0120 40.4070 23.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4960 38.6370 27.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9480 38.9800 26.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8670 40.2210 25.9570 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4270 41.1650 24.8920 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0070 39.4440 26.6110 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4930 42.0760 25.5130 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0500 40.4230 27.1700 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2570 39.7060 27.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 43.8940 27.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 13 1 0 0 0 0 6 12 1 0 0 0 0 7 3 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 4 1 1 0 0 0 8 10 1 0 0 0 0 9 5 1 1 0 0 0 9 11 1 0 0 0 0 10 2 1 1 0 0 0 11 12 1 6 0 0 0 M END $$$$ 833346 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 7.4140 -10.1020 45.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4470 -9.1870 41.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4660 -11.6820 42.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1540 -12.5500 45.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7600 -6.8830 42.9640 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5960 -7.0930 43.5510 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9720 -7.8620 46.2850 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7630 -8.4860 43.9230 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9790 -9.3760 42.9670 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1830 -10.8190 43.3860 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2480 -8.7150 45.3540 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6810 -10.9940 44.8230 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8830 -12.4060 45.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6330 -6.3990 43.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3880 -4.9450 42.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 833348 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 47.9390 49.2360 18.9750 O 0 0 0 0 0 0 0 0 0 0 0 0 47.3580 51.5200 21.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 46.0050 49.2450 17.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 48.2120 54.6720 19.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 43.9660 50.4570 18.1940 N 0 0 0 0 0 0 0 0 0 0 0 0 46.9110 50.2290 19.0860 C 0 0 1 0 0 0 0 0 0 0 0 0 47.4040 51.6040 19.6110 C 0 0 1 0 0 0 0 0 0 0 0 0 46.3420 50.4830 17.7080 C 0 0 2 0 0 0 0 0 0 0 0 0 46.5330 52.8540 19.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 45.0690 51.3300 17.7210 C 0 0 2 0 0 0 0 0 0 0 0 0 45.3450 52.6660 18.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 47.2650 54.1860 18.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 4 12 1 0 0 0 0 6 1 1 6 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 2 1 1 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 5 1 1 0 0 0 10 11 1 0 0 0 0 M END $$$$ 833351 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 48.2200 54.3580 27.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 50.9830 52.0270 30.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 48.5640 52.9930 31.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 51.4230 52.2630 27.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 49.0440 52.7630 25.9230 O 0 0 0 0 0 0 0 0 0 0 0 0 47.4670 56.1960 29.4710 O 0 0 0 0 0 0 0 0 0 0 0 0 49.9310 52.5110 29.1450 C 0 0 1 0 0 0 0 0 0 0 0 0 48.9790 53.5270 29.8430 C 0 0 1 0 0 0 0 0 0 0 0 0 50.5350 53.2100 27.9330 C 0 0 2 0 0 0 0 0 0 0 0 0 47.7590 53.8120 28.9030 C 0 0 1 0 0 0 0 0 0 0 0 0 49.4110 53.7520 26.9650 C 0 0 2 0 0 0 0 0 0 0 0 0 46.8480 54.9080 29.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 833355 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 50.8140 50.0050 22.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 50.0660 52.1600 24.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 49.3240 49.4140 20.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 48.4780 54.0350 24.6350 O 0 0 0 0 0 0 0 0 0 0 0 0 46.8940 50.2690 20.8440 N 0 0 0 0 0 0 0 0 0 0 0 0 49.6040 50.7190 22.2430 C 0 0 1 0 0 0 0 0 0 0 0 0 49.7690 52.1530 22.7350 C 0 0 1 0 0 0 0 0 0 0 0 0 49.2700 50.7380 20.7610 C 0 0 2 0 0 0 0 0 0 0 0 0 48.5160 52.9900 22.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 47.8760 51.3140 20.5620 C 0 0 2 0 0 0 0 0 0 0 0 0 47.6390 52.6100 21.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 48.1250 54.2150 23.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 4 12 1 0 0 0 0 6 1 1 6 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 2 1 1 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 5 1 1 0 0 0 10 11 1 0 0 0 0 M END $$$$ 833368 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 38.4700 15.3330 31.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 36.7070 16.6140 34.8610 O 0 0 0 0 0 0 0 0 0 0 0 0 37.5900 17.8090 32.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 38.5340 14.4230 34.8810 O 0 0 0 0 0 0 0 0 0 0 0 0 37.9560 13.3310 32.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 37.2660 15.7930 28.7910 O 0 0 0 0 0 0 0 0 0 0 0 0 36.9560 15.8190 33.7120 C 0 0 1 0 0 0 0 0 0 0 0 0 36.7560 16.6600 32.4480 C 0 0 2 0 0 0 0 0 0 0 0 0 38.3880 15.2860 33.7630 C 0 0 2 0 0 0 0 0 0 0 0 0 37.1170 15.8290 31.2120 C 0 0 1 0 0 0 0 0 0 0 0 0 38.7020 14.5150 32.4830 C 0 0 2 0 0 0 0 0 0 0 0 0 37.0410 16.6250 29.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 6 0 0 0 M END $$$$ 833374 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 -34.3970 -19.1940 -16.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 -33.5700 -22.1140 -13.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 -33.8760 -19.3570 -13.6870 O 0 0 0 0 0 0 0 0 0 0 0 0 -32.6470 -22.4240 -16.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 -32.8470 -20.0490 -17.9440 O 0 0 0 0 0 0 0 0 0 0 0 0 -36.3080 -17.3220 -16.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 -34.1950 -21.4820 -14.7740 C 0 0 1 0 0 0 0 0 0 0 0 0 -34.8480 -20.1770 -14.3190 C 0 0 2 0 0 0 0 0 0 0 0 0 -33.1590 -21.2000 -15.8660 C 0 0 2 0 0 0 0 0 0 0 0 0 -35.4330 -19.4440 -15.5270 C 0 0 1 0 0 0 0 0 0 0 0 0 -33.8060 -20.4000 -17.0060 C 0 0 1 0 0 0 0 0 0 0 0 0 -36.0340 -18.1030 -15.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 833405 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 30.6590 47.3130 11.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 29.8090 51.2140 10.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 30.2910 50.4780 13.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4400 48.6670 9.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 31.4230 46.8440 9.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 30.6970 46.5880 14.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 30.5490 50.1110 11.2340 C 0 0 1 0 0 0 0 0 0 0 0 0 29.9830 49.5610 12.5410 C 0 0 1 0 0 0 0 0 0 0 0 0 30.6900 49.0350 10.1610 C 0 0 1 0 0 0 0 0 0 0 0 0 30.6250 48.2280 12.9280 C 0 0 1 0 0 0 0 0 0 0 0 0 31.3710 47.7960 10.7340 C 0 0 1 0 0 0 0 0 0 0 0 0 29.8700 47.5700 14.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 833472 OpenBabel12061010053D 34 36 0 0 0 0 0 0 0 0999 V2000 13.5290 0.6090 15.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6070 1.6360 13.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3570 2.9710 15.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5860 0.4440 13.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0750 4.2800 18.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7250 1.9470 11.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3260 2.3690 12.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3160 4.5780 14.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0690 2.6380 11.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7830 4.1890 11.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5340 6.5310 16.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5640 3.4860 14.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5970 6.4730 18.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1040 0.2070 17.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2480 2.7530 20.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5280 -0.0450 16.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9270 1.0980 13.9300 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5620 1.5030 15.0970 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9420 1.9910 13.2460 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3660 1.5010 13.5650 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1640 1.0740 15.4680 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4680 3.3880 16.4030 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6380 1.0030 12.8880 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8730 4.7600 15.7840 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0380 2.0920 11.9510 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0010 3.6440 17.8850 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3330 3.1940 12.8150 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0410 5.2770 16.5900 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2270 2.5190 13.6700 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8740 1.4340 14.5670 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6240 5.4800 18.0280 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1680 0.1040 16.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6040 2.3880 18.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8480 0.6890 15.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 21 1 0 0 0 0 4 23 1 0 0 0 0 4 30 1 0 0 0 0 5 26 1 0 0 0 0 5 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 2 1 1 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 18 3 1 6 0 0 0 18 20 1 0 0 0 0 19 6 1 6 0 0 0 19 20 1 0 0 0 0 20 7 1 1 0 0 0 21 32 1 6 0 0 0 22 3 1 1 0 0 0 22 24 1 0 0 0 0 22 26 1 0 0 0 0 23 2 1 1 0 0 0 23 25 1 0 0 0 0 24 8 1 6 0 0 0 24 28 1 0 0 0 0 25 9 1 1 0 0 0 25 27 1 0 0 0 0 26 33 1 1 0 0 0 27 10 1 6 0 0 0 27 29 1 0 0 0 0 28 11 1 1 0 0 0 28 31 1 0 0 0 0 29 12 1 1 0 0 0 29 30 1 0 0 0 0 30 34 1 6 0 0 0 31 13 1 6 0 0 0 M END $$$$ 833592 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 118.4290 36.1750 64.3420 F 0 0 0 0 0 0 0 0 0 0 0 0 120.2580 39.3390 64.5160 O 0 0 0 0 0 0 0 0 0 0 0 0 118.8770 36.6730 61.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 119.1090 39.4430 61.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 120.8790 37.2410 65.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 120.6790 41.5960 63.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 119.6990 37.2780 62.6640 C 0 0 2 0 0 0 0 0 0 0 0 0 118.8830 37.4290 63.9300 C 0 0 2 0 0 0 0 0 0 0 0 0 120.2350 38.6360 62.1820 C 0 0 2 0 0 0 0 0 0 0 0 0 121.0700 39.2420 63.3300 C 0 0 1 0 0 0 0 0 0 0 0 0 119.7600 38.1020 65.0010 C 0 0 2 0 0 0 0 0 0 0 0 0 121.6710 40.6310 63.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 6 12 1 0 0 0 0 7 3 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 1 1 1 0 0 0 8 11 1 0 0 0 0 9 4 1 1 0 0 0 9 10 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 833616 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 7.7140 13.7150 25.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2890 14.7170 25.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0950 11.3880 23.8530 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 10.0620 25.1390 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 11.3050 23.7040 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 9.5640 26.7840 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 10.5150 26.2810 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 11.7250 24.3200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 10.0880 25.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 10.8990 24.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 10.7670 23.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 11.0390 25.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2090 11.0270 23.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3820 11.7460 23.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6530 13.0690 24.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 9.3050 25.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3090 13.5530 25.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8220 11.8920 24.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1850 12.8870 24.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6580 11.2860 23.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 9.7930 27.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 7.8460 25.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0340 7.2050 24.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0410 15.0010 24.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1560 15.5360 25.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2550 10.1870 23.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0530 5.7230 24.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 24 1 0 0 0 0 2 17 1 0 0 0 0 2 25 1 0 0 0 0 3 18 1 0 0 0 0 3 26 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 4 16 1 0 0 0 0 5 10 1 0 0 0 0 5 11 2 0 0 0 0 6 9 2 0 0 0 0 6 21 1 0 0 0 0 7 12 1 0 0 0 0 7 21 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 22 23 1 0 0 0 0 23 27 1 0 0 0 0 M END $$$$ 833617 OpenBabel12061010053D 23 25 0 0 0 0 0 0 0 0999 V2000 6.4180 14.7770 25.1560 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 9.7150 25.1420 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 11.0000 23.6880 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 9.2930 26.8260 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7460 10.3070 26.2660 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 11.5740 24.2490 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 9.8260 25.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 10.5980 24.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 10.3900 23.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 10.8500 25.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2300 10.4940 23.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1680 9.0220 25.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1790 11.5760 23.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 9.5150 27.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5650 11.4700 23.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4630 12.7390 24.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0520 7.5180 25.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6580 13.7180 24.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3290 12.5480 24.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2560 13.8070 24.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 6.9880 24.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1810 7.0080 24.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8360 15.8210 25.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 23 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 2 12 1 0 0 0 0 3 8 1 0 0 0 0 3 9 2 0 0 0 0 4 7 2 0 0 0 0 4 14 1 0 0 0 0 5 10 1 0 0 0 0 5 14 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 10 2 0 0 0 0 9 11 1 0 0 0 0 11 13 1 0 0 0 0 12 17 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 15 19 1 0 0 0 0 16 20 2 0 0 0 0 17 21 2 3 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 M END $$$$ 833633 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 20.2250 -11.3800 33.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1970 -14.6590 35.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8470 -12.3780 35.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4430 -14.1070 34.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1800 -12.3400 32.7480 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8400 -10.5860 32.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7070 -13.3760 35.3260 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8120 -12.5320 34.7140 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5420 -13.4870 34.3480 C 0 0 2 0 0 0 0 0 0 0 0 0 21.2250 -11.1780 34.3270 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1140 -12.1230 33.8130 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2560 -10.1610 33.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 833693 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 32.5270 13.5380 19.9160 P 0 0 0 0 0 0 0 0 0 0 0 0 31.8330 14.2690 18.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2700 15.0030 15.7270 O 0 0 0 0 0 0 0 0 0 0 0 0 33.5900 12.7040 19.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 31.4550 12.5980 20.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 32.9300 14.5830 20.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 29.9200 17.4540 15.9470 N 0 0 0 0 0 0 0 0 0 0 0 0 28.0620 12.8950 17.0960 N 0 0 0 0 0 0 0 0 0 0 0 0 30.2290 15.8640 17.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0830 15.1730 17.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3890 15.6570 16.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8130 16.8060 15.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0490 15.4210 18.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6280 16.9960 17.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6040 13.8640 17.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0480 17.3750 14.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 M END $$$$ 833694 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 62.5550 63.9740 13.2530 P 0 0 0 0 0 0 0 0 0 0 0 0 62.9730 62.9290 12.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 66.1640 58.8060 10.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 62.5120 65.2360 12.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 63.7430 63.9780 14.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 61.3680 63.6120 14.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 62.5890 58.9940 9.7220 N 0 0 0 0 0 0 0 0 0 0 0 0 66.6240 61.3580 11.5150 N 0 0 0 0 0 0 0 0 0 0 0 0 63.1180 60.5230 11.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 64.4680 60.1590 11.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 64.8360 59.1880 10.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 63.8730 58.6180 9.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 62.5940 61.5620 12.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 62.2080 59.9310 10.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 65.5540 60.8410 12.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 64.1940 57.5690 8.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 M END $$$$ 833704 OpenBabel12061010053D 9 9 0 0 0 0 0 0 0 0999 V2000 45.6580 17.1450 53.5760 N 0 0 0 0 0 0 0 0 0 0 0 0 47.1540 18.5040 54.6190 N 0 0 0 0 0 0 0 0 0 0 0 0 45.8760 19.4370 52.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 46.2480 18.3040 53.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 45.3810 19.1490 51.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 46.0140 20.8120 53.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 45.0340 20.2120 50.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 45.6660 21.8710 52.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 45.1760 21.5720 50.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 4 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 8 9 1 0 0 0 0 M END $$$$ 833710 OpenBabel12061010053D 9 9 0 0 0 0 0 0 0 0999 V2000 54.1940 66.4360 -26.6350 N 0 0 0 0 0 0 0 0 0 0 0 0 53.1480 64.8190 -27.8770 N 0 0 0 0 0 0 0 0 0 0 0 0 53.2730 67.0970 -28.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 53.5510 66.0670 -27.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 52.6660 66.6820 -30.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 53.6110 68.5090 -28.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 52.4030 67.6550 -31.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 53.3450 69.4830 -29.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 52.7440 69.0570 -30.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 4 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 8 9 1 0 0 0 0 M END $$$$ 833741 OpenBabel12061010053D 22 23 0 0 0 0 0 0 0 0999 V2000 73.9170 39.9660 50.1360 P 0 0 0 0 0 0 0 0 0 0 0 0 74.4940 40.7400 52.2830 F 0 0 0 0 0 0 0 0 0 0 0 0 75.7260 41.3680 50.5970 F 0 0 0 0 0 0 0 0 0 0 0 0 72.4530 39.8050 50.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 74.1690 40.2630 48.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 74.6210 38.6860 50.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 72.1750 51.0150 49.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 72.3640 46.4870 50.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 74.4860 47.5140 49.2700 N 0 0 0 0 0 0 0 0 0 0 0 0 71.0510 48.2700 50.0890 N 0 0 0 0 0 0 0 0 0 0 0 0 74.1800 49.9110 48.8540 N 0 0 0 0 0 0 0 0 0 0 0 0 76.2830 48.8470 48.4790 N 0 0 0 0 0 0 0 0 0 0 0 0 73.1440 47.5490 49.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 72.2940 48.6530 49.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 74.4710 41.0980 50.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 72.8050 49.9440 49.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 71.1020 46.9880 50.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 74.9770 48.7440 48.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 73.6000 42.3740 50.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 72.6500 45.1310 50.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 74.3630 43.6410 51.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 73.4060 44.8400 51.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 15 1 0 0 0 0 2 15 1 0 0 0 0 3 15 1 0 0 0 0 7 16 2 0 0 0 0 8 13 1 0 0 0 0 8 17 1 0 0 0 0 8 20 1 0 0 0 0 9 13 1 0 0 0 0 9 18 2 0 0 0 0 10 14 1 0 0 0 0 10 17 2 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 14 16 1 0 0 0 0 15 19 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 M END $$$$ 833775 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 55.0970 25.5340 62.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 51.0900 24.5700 62.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 53.4160 24.2880 60.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 51.8610 26.8670 63.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 54.5660 27.6460 63.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 57.0970 23.4100 62.4640 O 0 0 0 0 0 0 0 0 0 0 0 0 52.3600 24.6940 62.6310 C 0 0 1 0 0 0 0 0 0 0 0 0 53.4050 23.8850 61.8510 C 0 0 2 0 0 0 0 0 0 0 0 0 52.7570 26.1690 62.6940 C 0 0 2 0 0 0 0 0 0 0 0 0 54.7830 24.1220 62.4660 C 0 0 1 0 0 0 0 0 0 0 0 0 54.1860 26.3160 63.2260 C 0 0 1 0 0 0 0 0 0 0 0 0 55.8840 23.3890 61.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 833819 OpenBabel12061010053D 24 26 0 0 0 0 0 0 0 0999 V2000 147.9440 46.2370 30.2770 S 0 5 0 0 0 0 0 0 0 0 0 0 150.7720 44.8180 30.8630 S 0 5 0 0 0 0 0 0 0 0 0 0 152.5260 40.8820 28.0680 P 0 0 0 0 0 0 0 0 0 0 0 0 149.6080 43.2290 27.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 151.1900 41.1050 28.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 144.1950 42.3930 28.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 152.7050 39.5840 27.7080 O 0 0 0 0 0 0 0 0 0 0 0 0 153.3860 41.1580 29.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 152.9420 41.6990 26.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 146.7640 43.8140 28.2840 N 0 0 0 0 0 0 0 0 0 0 0 0 148.1670 43.9380 25.6140 N 0 0 0 0 0 0 0 0 0 0 0 0 146.2460 42.8600 24.5490 N 0 0 0 0 0 0 0 0 0 0 0 0 144.3280 42.0910 25.7040 N 0 0 0 0 0 0 0 0 0 0 0 0 144.5420 41.8320 23.3470 N 0 0 0 0 0 0 0 0 0 0 0 0 147.8350 44.7700 28.1340 C 0 0 2 0 0 0 0 0 0 0 0 0 148.8170 44.3680 26.8260 C 0 0 1 0 0 0 0 0 0 0 0 0 146.1320 43.1720 27.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 148.6000 45.1020 29.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 146.9170 43.3450 25.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 149.8690 44.3860 29.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 150.4010 43.2910 28.4440 C 0 0 1 0 0 0 0 0 0 0 0 0 144.8200 42.5200 26.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 144.9980 42.2440 24.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 150.6230 42.0260 29.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 20 1 0 0 0 0 3 5 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 21 1 0 0 0 0 5 24 1 0 0 0 0 6 22 2 0 0 0 0 10 17 2 0 0 0 0 11 19 2 0 0 0 0 12 19 1 0 0 0 0 12 23 2 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 23 1 0 0 0 0 15 10 1 1 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 11 1 1 0 0 0 16 4 1 0 0 0 0 17 19 1 0 0 0 0 17 22 1 0 0 0 0 18 20 2 0 0 0 0 20 21 1 0 0 0 0 21 24 1 1 0 0 0 M CHG 2 1 -1 2 -1 M END $$$$ 833828 OpenBabel12061010053D 20 20 0 0 0 0 0 0 0 0999 V2000 -48.6260 21.3860 -16.9190 S 0 0 0 0 0 0 0 0 0 0 0 0 -46.6660 20.5450 -17.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 -48.0550 19.9050 -14.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 -46.3400 17.6770 -14.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 -44.2070 17.9880 -16.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 -44.6760 20.9790 -19.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 -46.1460 18.8780 -15.5690 C 0 0 2 0 0 0 0 0 0 0 0 0 -47.5120 19.5830 -15.7440 C 0 0 2 0 0 0 0 0 0 0 0 0 -45.4620 18.5900 -16.9410 C 0 0 1 0 0 0 0 0 0 0 0 0 -47.3660 20.8670 -16.6280 C 0 0 2 0 0 0 0 0 0 0 0 0 -45.3330 19.9300 -17.7670 C 0 0 1 0 0 0 0 0 0 0 0 0 -44.7590 19.7470 -19.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -49.2380 20.5370 -17.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -50.7060 20.9580 -18.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -51.1690 21.6450 -16.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -52.7020 21.6940 -16.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -53.0970 22.2880 -15.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -54.5480 22.7900 -15.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -54.9160 23.4090 -14.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -56.3530 23.9410 -14.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 6 12 1 0 0 0 0 7 4 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 5 1 1 0 0 0 9 11 1 0 0 0 0 10 1 1 6 0 0 0 11 12 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 M END $$$$ 833857 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 114.5160 107.7810 128.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 111.8670 108.2690 131.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 113.8570 110.2170 130.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 113.3870 106.1740 130.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 112.3800 108.1130 127.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 116.7880 108.0800 129.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 112.4980 108.4040 130.2200 C 0 0 1 0 0 0 0 0 0 0 0 0 113.9150 108.9300 130.3950 C 0 0 1 0 0 0 0 0 0 0 0 0 112.5600 107.0600 129.5110 C 0 0 1 0 0 0 0 0 0 0 0 0 114.6230 109.0240 129.0350 C 0 0 1 0 0 0 0 0 0 0 0 0 113.1910 107.2770 128.1390 C 0 0 2 0 0 0 0 0 0 0 0 0 116.0980 109.2830 129.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 833882 OpenBabel12061010053D 31 33 0 0 0 0 0 0 0 0999 V2000 61.6870 28.8720 11.3620 P 0 0 0 0 0 0 0 0 0 0 0 0 60.6150 30.5240 22.7780 O 0 0 0 0 0 0 0 0 0 0 0 0 59.5280 33.1240 19.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 63.7030 30.4580 16.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 62.3880 27.5730 14.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 63.0940 29.3400 11.9730 O 0 0 0 0 0 0 0 0 0 0 0 0 64.7630 30.3160 14.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 62.1510 28.0270 10.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 61.1920 30.2180 11.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 61.1520 28.1040 12.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 61.6610 28.9880 18.3320 N 0 3 0 0 0 0 0 0 0 0 0 0 61.7450 28.5830 21.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 60.6330 31.1660 18.7980 N 0 0 0 0 0 0 0 0 0 0 0 0 60.0640 31.7830 20.9830 N 0 0 0 0 0 0 0 0 0 0 0 0 61.2150 29.9790 19.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 62.0320 27.7670 18.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 61.2640 29.7670 20.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 62.0810 27.5620 20.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 60.6400 30.6530 21.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 62.2560 26.6950 17.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 61.6920 29.3020 16.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 62.4020 26.3510 20.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 59.9490 32.0660 19.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 62.5000 25.4720 18.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 62.6220 25.2950 19.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 63.0630 29.2420 16.3220 C 0 0 1 0 0 0 0 0 0 0 0 0 62.9290 28.9030 14.8100 C 0 0 1 0 0 0 0 0 0 0 0 0 64.3150 28.9300 14.1000 C 0 0 1 0 0 0 0 0 0 0 0 0 62.5420 24.3060 17.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 62.9510 23.9360 20.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 64.1280 28.5180 12.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 19 2 0 0 0 0 3 23 2 0 0 0 0 6 31 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 19 1 0 0 0 0 14 23 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 17 19 1 0 0 0 0 18 22 2 0 0 0 0 20 24 1 0 0 0 0 22 25 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 26 21 1 6 0 0 0 26 4 1 0 0 0 0 26 27 1 0 0 0 0 27 5 1 1 0 0 0 27 28 1 0 0 0 0 28 7 1 6 0 0 0 28 31 1 0 0 0 0 M CHG 1 11 1 M END $$$$ 833888 OpenBabel12061010053D 28 30 0 0 0 0 0 0 0 0999 V2000 74.2550 10.7670 -11.6560 P 0 0 0 0 0 0 0 0 0 0 0 0 73.9040 11.3660 -14.5130 P 0 0 0 0 0 0 0 0 0 0 0 0 75.0720 6.3670 -10.5010 O 0 0 0 0 0 0 0 0 0 0 0 0 74.5380 9.2440 -11.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 74.7970 10.7410 -13.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 75.1720 7.5000 -7.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 72.8050 6.6170 -8.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 81.7970 6.7610 -9.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 72.9040 11.2760 -11.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 75.4030 11.5380 -11.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 72.5820 10.7440 -14.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 74.8330 11.0740 -15.6470 O 0 0 0 0 0 0 0 0 0 0 0 0 73.9530 12.9010 -14.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 77.1970 7.0600 -9.6140 N 0 0 0 0 0 0 0 0 0 0 0 0 79.0420 8.1640 -10.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 78.1630 4.9590 -8.7880 N 0 0 0 0 0 0 0 0 0 0 0 0 80.5630 5.0060 -8.9650 N 0 0 0 0 0 0 0 0 0 0 0 0 79.5030 3.1480 -8.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 75.7810 6.6450 -9.3210 C 0 0 1 0 0 0 0 0 0 0 0 0 78.2680 6.2100 -9.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 75.0420 7.6970 -8.5530 C 0 0 1 0 0 0 0 0 0 0 0 0 79.4030 6.9330 -9.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 73.7850 7.0960 -10.5860 C 0 0 1 0 0 0 0 0 0 0 0 0 73.6090 7.6250 -9.1190 C 0 0 1 0 0 0 0 0 0 0 0 0 77.7390 8.1960 -10.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 80.6780 6.3020 -9.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 73.6960 8.1590 -11.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 79.3850 4.3790 -8.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 9 2 0 0 0 0 1 10 1 0 0 0 0 2 5 1 0 0 0 0 2 11 2 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 19 1 0 0 0 0 3 23 1 0 0 0 0 4 27 1 0 0 0 0 8 26 2 0 0 0 0 14 20 1 0 0 0 0 14 25 1 0 0 0 0 15 22 1 0 0 0 0 15 25 2 0 0 0 0 16 20 1 0 0 0 0 16 28 2 0 0 0 0 17 26 1 0 0 0 0 17 28 1 0 0 0 0 18 28 1 0 0 0 0 19 14 1 6 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 21 6 1 1 0 0 0 21 24 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 1 0 0 0 24 7 1 6 0 0 0 M END $$$$ 833895 OpenBabel12061010053D 9 8 0 0 0 0 0 0 0 0999 V2000 91.9920 57.8250 175.7290 P 0 0 0 0 0 0 0 0 0 0 0 0 94.2330 56.7470 177.2660 P 0 0 0 0 0 0 0 0 0 0 0 0 93.2400 56.8370 176.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 91.0100 57.7190 176.8320 O 0 0 0 0 0 0 0 0 0 0 0 0 93.8360 57.7660 178.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 91.4320 57.3680 174.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 92.5320 59.2640 175.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 94.1190 55.3600 177.7940 O 0 0 0 0 0 0 0 0 0 0 0 0 95.5930 57.0320 176.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 M END $$$$ 833908 OpenBabel12061010053D 18 20 0 0 0 0 0 0 0 0999 V2000 41.1890 19.3790 147.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 43.6430 19.4830 145.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 41.4660 19.8810 143.8930 O 0 0 0 0 0 0 0 0 0 0 0 0 42.0880 17.1810 147.6790 N 0 0 0 0 0 0 0 0 0 0 0 0 41.2060 15.1560 148.1210 N 0 0 0 0 0 0 0 0 0 0 0 0 43.9980 17.2090 149.3070 N 0 0 0 0 0 0 0 0 0 0 0 0 44.1050 15.1350 150.6210 N 0 0 0 0 0 0 0 0 0 0 0 0 42.5610 13.3570 150.3450 N 0 0 0 0 0 0 0 0 0 0 0 0 42.3840 18.6580 147.0650 C 0 0 1 0 0 0 0 0 0 0 0 0 42.8700 16.6360 148.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 42.3040 15.3730 148.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 42.6870 18.5070 145.5480 C 0 0 1 0 0 0 0 0 0 0 0 0 41.3300 18.8080 144.8130 C 0 0 1 0 0 0 0 0 0 0 0 0 40.3510 19.1730 145.8520 C 0 0 2 0 0 0 0 0 0 0 0 0 41.1110 16.2680 147.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 42.9730 14.5740 149.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 44.5370 16.4190 150.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 39.7490 20.4620 145.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 4 10 1 0 0 0 0 4 15 1 0 0 0 0 5 11 1 0 0 0 0 5 15 2 0 0 0 0 6 10 2 0 0 0 0 6 17 1 0 0 0 0 7 16 1 0 0 0 0 7 17 2 0 0 0 0 8 16 1 0 0 0 0 9 4 1 6 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 11 16 2 0 0 0 0 12 2 1 1 0 0 0 12 13 1 0 0 0 0 13 3 1 1 0 0 0 13 14 1 0 0 0 0 14 18 1 6 0 0 0 M END $$$$ 833935 OpenBabel12061010053D 28 30 0 0 0 0 0 0 0 0999 V2000 -15.2740 -10.4840 -22.3820 P 0 0 0 0 0 0 0 0 0 0 0 0 -13.3360 -11.0460 -20.3190 P 0 0 0 0 0 0 0 0 0 0 0 0 -14.9370 -5.8680 -22.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.0220 -9.2200 -23.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.4650 -10.1190 -21.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3760 -6.0350 -22.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5810 -6.3420 -24.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.6560 -5.1070 -15.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.7220 -10.6330 -22.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.6090 -11.6820 -23.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9210 -10.2690 -19.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.0320 -12.3760 -20.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1660 -11.2390 -21.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.1970 -5.8070 -20.0770 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.5860 -6.7950 -18.1320 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.8480 -3.5150 -19.5760 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.5950 -3.3120 -17.2970 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.5450 -1.4700 -18.7540 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.7910 -5.6000 -21.5620 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.6660 -4.8220 -19.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6610 -6.5760 -21.9860 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.9020 -5.4390 -18.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6420 -6.8090 -23.3600 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.1330 -7.1320 -23.3080 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.1590 -6.9850 -19.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3990 -4.6760 -16.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5640 -7.9480 -23.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3220 -2.7790 -18.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 9 2 0 0 0 0 1 10 1 0 0 0 0 2 5 1 0 0 0 0 2 11 2 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 19 1 0 0 0 0 3 23 1 0 0 0 0 4 27 1 0 0 0 0 8 26 2 0 0 0 0 14 20 1 0 0 0 0 14 25 1 0 0 0 0 15 22 1 0 0 0 0 15 25 2 0 0 0 0 16 20 1 0 0 0 0 16 28 2 0 0 0 0 17 26 1 0 0 0 0 17 28 1 0 0 0 0 18 28 1 0 0 0 0 19 14 1 1 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 21 6 1 6 0 0 0 21 24 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 1 0 0 0 24 7 1 1 0 0 0 M END $$$$ 833951 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 18.9850 85.5130 28.6730 P 0 0 0 0 0 0 0 0 0 0 0 0 20.8180 88.6680 22.5970 P 0 0 0 0 0 0 0 0 0 0 0 0 20.4640 89.8180 26.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9300 86.5220 27.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6430 88.1720 29.6860 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1250 88.5320 24.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6240 85.4160 28.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0000 86.0590 30.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6970 84.1740 28.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7360 89.7230 22.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1350 89.1370 21.9960 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3500 87.3010 22.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8770 91.3010 28.4570 N 0 0 0 0 0 0 0 0 0 0 0 0 19.8130 93.5000 28.9450 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4900 90.8140 28.5450 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1900 92.7800 29.0990 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1690 94.8130 29.6460 N 0 0 0 0 0 0 0 0 0 0 0 0 20.4720 89.9970 28.1500 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7730 88.7740 28.7710 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5200 87.8490 27.5760 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4570 88.4020 26.5130 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5550 91.6250 28.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5370 92.9740 28.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5720 92.4700 28.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0680 88.1380 25.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2980 93.5530 29.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3560 91.4960 28.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 6 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 6 25 1 0 0 0 0 13 22 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 22 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 18 13 1 6 0 0 0 18 19 1 0 0 0 0 19 5 1 6 0 0 0 19 20 1 0 0 0 0 20 4 1 1 0 0 0 20 21 1 0 0 0 0 21 25 1 6 0 0 0 22 23 1 0 0 0 0 23 26 2 0 0 0 0 M END $$$$ 833981 OpenBabel12061010053D 26 29 0 0 0 0 0 0 0 0999 V2000 36.9760 6.2690 124.0510 S 0 0 0 0 0 0 0 0 0 0 0 0 41.0430 -1.6280 123.0290 S 0 0 0 0 0 0 0 0 0 0 0 0 36.4440 9.3360 127.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 38.2210 8.1940 128.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 38.9580 4.6250 124.6250 N 0 0 2 0 0 0 0 0 0 0 0 0 40.8530 2.5990 123.5470 N 0 0 0 0 0 0 0 0 0 0 0 0 38.1990 6.2480 126.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 42.7060 1.0820 123.5600 N 0 0 0 0 0 0 0 0 0 0 0 0 38.1780 5.6900 124.9630 C 0 0 2 0 0 0 0 0 0 0 0 0 41.4290 1.2380 123.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 37.4100 7.4390 126.2390 C 0 0 1 0 0 0 0 0 0 0 0 0 43.4100 -0.0280 123.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 42.7750 -1.4090 123.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 38.5490 3.7060 123.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 40.1400 4.1620 125.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 39.7480 3.1510 122.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 41.2990 3.6240 124.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 40.5200 0.0450 123.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5870 7.5260 125.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 37.4250 8.3430 127.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 44.7730 0.0790 123.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 43.7790 -2.5790 123.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 45.5900 -1.0390 123.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 45.1120 -2.3210 123.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3310 10.2950 128.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7470 11.6920 128.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 3 20 1 0 0 0 0 3 25 1 0 0 0 0 4 20 2 0 0 0 0 5 14 1 1 0 0 0 5 15 1 0 0 0 0 6 10 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 1 1 1 0 0 0 9 5 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 1 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 22 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 M END $$$$ 834040 OpenBabel12061010053D 7 6 0 0 0 0 0 0 0 0999 V2000 5.4100 64.0300 61.5890 P 0 0 0 0 0 0 0 0 0 0 0 0 5.3310 64.9040 62.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1770 64.0690 60.7940 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6460 64.2500 60.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9270 62.3840 62.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1700 65.1010 63.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0540 64.1660 64.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 M END $$$$ 834048 OpenBabel12061010053D 31 33 0 0 0 0 0 0 0 0999 V2000 27.6800 11.5320 29.3540 P 0 0 0 0 0 0 0 0 0 0 0 0 22.2500 5.2270 21.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7750 6.0630 24.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7950 7.2890 26.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2390 9.2600 28.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1280 10.9940 29.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0890 10.7950 26.5650 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7990 12.9270 29.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2520 11.4250 27.9370 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2970 10.5390 30.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3330 8.8620 23.9090 N 0 3 0 0 0 0 0 0 0 0 0 0 23.7190 7.5150 21.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4450 7.4740 24.3880 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9160 5.6140 22.9440 N 0 0 0 0 0 0 0 0 0 0 0 0 22.5020 7.8090 23.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3540 9.2500 23.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6950 7.1180 22.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5280 8.5760 21.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8850 6.0000 22.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2740 10.2910 23.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2660 9.3570 25.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5760 8.9020 21.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6790 6.3670 24.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3090 10.6440 22.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4710 9.9420 21.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2780 8.6020 26.1380 C 0 0 1 0 0 0 0 0 0 0 0 0 24.4430 9.3140 27.4790 C 0 0 1 0 0 0 0 0 0 0 0 0 24.8890 10.7550 27.3020 C 0 0 1 0 0 0 0 0 0 0 0 0 27.3770 11.5780 22.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6270 10.1450 20.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0890 11.4910 28.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 19 2 0 0 0 0 3 23 2 0 0 0 0 6 31 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 19 1 0 0 0 0 14 23 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 17 19 1 0 0 0 0 18 22 2 0 0 0 0 20 24 1 0 0 0 0 22 25 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 26 21 1 1 0 0 0 26 4 1 0 0 0 0 26 27 1 0 0 0 0 27 5 1 6 0 0 0 27 28 1 0 0 0 0 28 7 1 1 0 0 0 28 31 1 0 0 0 0 M CHG 1 11 1 M END $$$$ 834074 OpenBabel12061010053D 21 21 0 0 0 0 0 0 0 0999 V2000 -25.7740 65.9900 189.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 -25.5270 65.2890 191.7120 O 0 0 0 0 0 0 0 0 0 0 0 0 -27.4930 62.3800 188.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 -24.6620 66.4670 186.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 -28.5970 65.2850 191.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -27.8330 67.1690 190.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 -27.1550 68.7880 188.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 -25.9370 63.2340 185.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 -26.3890 69.6960 185.9250 O 0 0 0 0 0 0 0 0 0 0 0 0 -27.3610 64.6000 186.5180 N 0 0 0 0 0 0 0 0 0 0 0 0 -26.3880 65.2610 190.6260 C 0 0 2 0 0 0 0 0 0 0 0 0 -26.5800 66.0030 188.3500 C 0 0 2 0 0 0 0 0 0 0 0 0 -26.7150 64.5770 187.8170 C 0 0 1 0 0 0 0 0 0 0 0 0 -27.4200 63.7290 188.8800 C 0 0 2 0 0 0 0 0 0 0 0 0 -26.6650 63.8050 190.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -25.9580 66.9330 187.3110 C 0 0 1 0 0 0 0 0 0 0 0 0 -27.7010 65.9540 190.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -25.8700 68.3570 187.8650 C 0 0 1 0 0 0 0 0 0 0 0 0 -27.0270 63.8080 185.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -25.3360 69.3160 186.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -28.0590 63.6250 184.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 5 17 2 0 0 0 0 6 17 1 0 0 0 0 8 19 2 0 0 0 0 9 20 1 0 0 0 0 10 19 1 0 0 0 0 11 2 1 1 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 12 1 1 6 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 10 1 1 0 0 0 13 14 1 0 0 0 0 14 3 1 6 0 0 0 14 15 1 0 0 0 0 16 4 1 1 0 0 0 16 18 1 0 0 0 0 18 7 1 6 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 M END $$$$ 834075 OpenBabel12061010053D 20 20 0 0 0 0 0 0 0 0999 V2000 -23.1290 24.0690 155.5590 O 0 0 0 0 0 0 0 0 0 0 0 0 -26.0140 22.6380 158.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 -22.8770 21.7210 154.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 -24.2250 24.5040 152.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 -22.6080 26.3600 158.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 -21.6650 26.1800 156.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 -25.8200 19.8850 155.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 -23.7210 22.1880 150.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 -26.1980 22.0250 155.2680 N 0 0 0 0 0 0 0 0 0 0 0 0 -24.2880 23.5020 154.9270 C 0 0 2 0 0 0 0 0 0 0 0 0 -25.0590 22.6380 155.9360 C 0 0 1 0 0 0 0 0 0 0 0 0 -25.5370 23.4930 157.1130 C 0 0 2 0 0 0 0 0 0 0 0 0 -23.3060 24.7080 156.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.8340 22.6770 153.7230 C 0 0 1 0 0 0 0 0 0 0 0 0 -24.4340 24.4570 157.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.2250 23.6040 152.6730 C 0 0 1 0 0 0 0 0 0 0 0 0 -22.4960 25.7910 157.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -26.5930 20.7770 155.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.6630 22.7980 151.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -28.0750 20.4740 155.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 5 17 2 0 0 0 0 6 17 1 0 0 0 0 7 18 2 0 0 0 0 8 19 1 0 0 0 0 9 18 1 0 0 0 0 10 1 1 1 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 9 1 6 0 0 0 11 12 1 0 0 0 0 12 2 1 1 0 0 0 12 15 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 3 1 1 0 0 0 14 16 1 0 0 0 0 16 4 1 6 0 0 0 16 19 1 0 0 0 0 18 20 1 0 0 0 0 M END $$$$ 834120 OpenBabel12061010053D 16 17 0 0 0 0 0 0 0 0999 V2000 22.9740 1.0750 -7.9250 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1800 -1.1050 -7.6470 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2750 2.3710 -8.6440 N 0 0 0 0 0 0 0 0 0 0 0 0 22.3680 3.1040 -8.6820 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6800 -0.4760 -9.3240 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5830 1.1390 -8.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4300 2.3710 -8.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7360 -0.0170 -7.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8840 2.7160 -8.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2460 0.2360 -8.1280 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4130 -0.1720 -6.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 4.0220 -7.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5060 2.8940 -9.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6000 1.5920 -7.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3560 -1.0590 -8.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0900 -0.6470 -7.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 8 2 0 0 0 0 3 4 1 0 0 0 0 3 6 2 0 0 0 0 4 7 2 0 0 0 0 5 10 1 0 0 0 0 5 15 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 8 1 1 0 0 0 10 11 1 0 0 0 0 11 16 1 0 0 0 0 15 16 1 0 0 0 0 M END $$$$ 834423 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 91.9850 23.8180 -1.2710 P 0 0 0 0 0 0 0 0 0 0 0 0 91.2620 22.4200 -1.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 88.4870 18.0130 -2.8510 O 0 0 0 0 0 0 0 0 0 0 0 0 92.5750 23.9960 0.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 91.0810 24.8600 -1.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 93.1220 23.5690 -2.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 87.6060 19.7560 0.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 89.4720 20.5540 -4.2430 N 0 0 0 0 0 0 0 0 0 0 0 0 89.1800 21.0960 -0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 89.2510 20.1380 -1.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 88.4580 18.9830 -1.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 87.6350 18.8120 -0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 89.8990 22.4130 -1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 88.3620 20.8880 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 90.0910 20.3040 -3.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 86.7490 17.5790 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 M END $$$$ 834492 OpenBabel12061010053D 24 26 0 0 0 0 0 0 0 0999 V2000 19.1770 3.4920 14.2860 P 0 0 0 0 0 0 0 0 0 0 0 0 22.5900 4.5060 17.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1770 3.2620 15.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9830 1.7690 16.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0520 10.4700 17.9760 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9900 4.9520 14.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0200 2.6730 14.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8430 2.9870 13.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1590 5.3180 15.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9020 5.9690 17.6630 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2020 7.7470 18.8650 N 0 0 0 0 0 0 0 0 0 0 0 0 22.1600 7.1320 15.9280 N 0 0 0 0 0 0 0 0 0 0 0 0 22.1350 9.4840 16.2530 N 0 0 0 0 0 0 0 0 0 0 0 0 23.3160 8.5650 14.5080 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2110 4.5320 17.3880 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3160 4.0190 15.9720 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3930 7.0920 17.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4470 2.9670 16.1740 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9680 8.1520 17.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4080 3.5950 17.1390 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1940 6.4580 18.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3500 9.4490 17.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5210 8.3640 15.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5620 4.3420 16.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 15 1 0 0 0 0 2 20 1 0 0 0 0 5 22 2 0 0 0 0 9 24 1 0 0 0 0 10 17 1 0 0 0 0 10 21 1 0 0 0 0 11 19 1 0 0 0 0 11 21 2 0 0 0 0 12 17 1 0 0 0 0 12 23 2 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 23 1 0 0 0 0 15 10 1 6 0 0 0 15 16 1 0 0 0 0 16 3 1 1 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 18 4 1 1 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 20 24 1 6 0 0 0 M END $$$$ 834497 OpenBabel12061010053D 6 5 0 0 0 0 0 0 0 0999 V2000 19.3190 -12.9680 14.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2640 -13.9160 14.5530 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6870 -10.2960 15.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1430 -12.6510 15.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9270 -12.6420 14.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3110 -11.2250 16.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 M END $$$$ 834608 OpenBabel12061010053D 31 33 0 0 0 0 0 0 0 0999 V2000 -3.5620 43.3160 18.5170 P 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 50.9950 15.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3730 48.6580 19.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 47.5970 18.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 44.8520 19.8710 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 43.5260 19.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 44.4350 16.9360 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5980 44.0950 19.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8020 41.8680 18.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2330 43.7910 17.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 47.0340 16.2880 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9860 49.1320 14.5790 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8710 47.8440 17.8410 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0920 49.8060 17.4450 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2030 47.8880 16.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 47.2860 15.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5550 48.9830 15.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9220 48.3200 14.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5170 50.0270 16.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 46.5200 14.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9270 45.9860 17.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 48.5620 13.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7910 48.7430 18.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 46.7700 13.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 47.7890 12.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9480 46.3750 18.2430 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3280 45.2330 19.0480 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1870 44.1010 18.1180 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5830 46.0020 13.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 48.1450 11.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 43.0140 18.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 19 2 0 0 0 0 3 23 2 0 0 0 0 6 31 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 19 1 0 0 0 0 14 23 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 17 19 1 0 0 0 0 18 22 2 0 0 0 0 20 24 1 0 0 0 0 22 25 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 26 21 1 1 0 0 0 26 4 1 0 0 0 0 26 27 1 0 0 0 0 27 5 1 6 0 0 0 27 28 1 0 0 0 0 28 7 1 1 0 0 0 28 31 1 0 0 0 0 M CHG 1 11 1 M END $$$$ 834609 OpenBabel12061010053D 11 11 0 0 0 0 0 0 0 0999 V2000 3.5980 44.7790 14.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9610 47.0020 16.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0470 47.4440 10.7950 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9590 49.4510 11.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6790 46.5040 13.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2930 45.9040 15.2910 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6900 47.4590 13.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4650 45.6610 14.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2820 46.8790 15.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4340 47.7130 14.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9190 48.1880 11.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 9 2 0 0 0 0 3 11 2 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 9 10 1 0 0 0 0 M END $$$$ 834618 OpenBabel12061010053D 44 47 0 0 0 0 0 0 0 0999 V2000 3.4080 -7.1490 87.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 -7.4430 87.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 -9.6990 87.8250 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9140 -4.8940 86.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 -10.6700 90.5470 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0380 -8.9910 85.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 -10.1300 84.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0630 -7.9050 86.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6840 -6.1830 88.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 -11.2320 86.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6610 -12.6890 87.8560 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0240 -12.2820 90.6350 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4200 -5.1900 90.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -5.3550 88.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7600 -4.9390 92.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6640 -3.2960 94.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 -8.8810 90.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5740 -1.0620 93.6630 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8610 -4.6250 89.9560 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 -7.3400 86.6740 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3400 -8.6990 86.8720 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0330 -8.7700 86.1240 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5500 -8.9070 85.6270 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1390 -7.0260 87.8050 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2060 -6.2350 86.5030 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3700 -9.8830 88.4900 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7080 -4.9150 88.5390 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7100 -6.5670 86.6770 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2390 -6.2500 88.0850 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2030 -4.7250 88.2540 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9650 -11.1140 87.8190 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0490 -10.2760 89.9290 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6180 -3.3810 90.1110 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2830 -11.4630 88.5300 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9110 -11.8140 89.9880 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9590 -3.8710 90.7070 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9540 -5.5020 88.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6790 -4.1530 92.1980 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3740 -1.9450 92.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3360 -2.8440 92.9320 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0730 -2.2530 90.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -9.2180 90.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8210 -3.2650 88.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -0.7300 92.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 2 21 1 0 0 0 0 2 24 1 0 0 0 0 4 25 1 0 0 0 0 4 30 1 0 0 0 0 5 32 1 0 0 0 0 5 35 1 0 0 0 0 14 37 1 0 0 0 0 17 42 1 0 0 0 0 18 44 1 0 0 0 0 20 1 1 1 0 0 0 20 22 1 0 0 0 0 20 24 1 0 0 0 0 21 3 1 1 0 0 0 21 23 1 0 0 0 0 22 6 1 6 0 0 0 22 23 1 0 0 0 0 23 7 1 1 0 0 0 24 37 1 6 0 0 0 25 1 1 1 0 0 0 25 28 1 0 0 0 0 26 3 1 1 0 0 0 26 31 1 0 0 0 0 26 32 1 0 0 0 0 27 19 1 1 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 28 8 1 1 0 0 0 28 29 1 0 0 0 0 29 9 1 6 0 0 0 30 43 1 6 0 0 0 31 10 1 6 0 0 0 31 34 1 0 0 0 0 32 42 1 1 0 0 0 33 19 1 1 0 0 0 33 36 1 0 0 0 0 33 41 1 0 0 0 0 34 11 1 1 0 0 0 34 35 1 0 0 0 0 35 12 1 1 0 0 0 36 13 1 1 0 0 0 36 38 1 0 0 0 0 38 15 1 6 0 0 0 38 40 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 39 44 1 0 0 0 0 40 16 1 6 0 0 0 M END $$$$ 834737 OpenBabel12061010053D 13 12 0 0 0 0 0 0 0 0999 V2000 50.6820 95.0350 17.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 48.7260 95.9450 15.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 52.3540 96.1050 15.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 47.1710 95.5310 17.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 48.6050 96.5970 19.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 51.4260 98.1340 15.9870 N 0 0 0 0 0 0 0 0 0 0 0 0 50.5150 96.4390 17.3780 C 0 0 2 0 0 0 0 0 0 0 0 0 49.0960 96.7270 16.8610 C 0 0 2 0 0 0 0 0 0 0 0 0 51.5390 96.8410 16.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 48.1460 96.2160 17.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 52.3940 98.6120 14.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 52.2050 100.1080 14.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 53.1780 100.7410 13.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 3 9 2 0 0 0 0 4 10 2 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 1 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 2 1 1 0 0 0 8 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 M END $$$$ 834762 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 -16.6140 69.3330 62.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.6700 70.1970 65.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7600 71.4740 62.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.7200 69.1320 60.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.5950 67.8050 67.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.3360 69.7880 66.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.9860 68.4300 64.3150 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.9130 69.4110 64.8440 C 0 0 2 0 0 0 0 0 0 0 0 0 -14.8950 70.4610 64.3920 C 0 0 2 0 0 0 0 0 0 0 0 0 -14.5810 70.3390 62.9040 C 0 0 1 0 0 0 0 0 0 0 0 0 -17.1930 69.5240 63.9560 C 0 0 1 0 0 0 0 0 0 0 0 0 -15.9200 70.5110 62.1260 C 0 0 1 0 0 0 0 0 0 0 0 0 -15.7580 70.1220 60.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3880 68.7140 67.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4850 68.5800 68.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 834849 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 74.8410 0.8570 4.9990 S 0 0 0 0 0 0 0 0 0 0 0 0 74.5750 1.7130 6.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 73.5270 0.7580 4.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 75.9350 1.6920 4.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 77.7680 -3.9170 8.9870 O 0 0 0 0 0 0 0 0 0 0 0 0 76.1670 -2.1370 7.3470 N 0 0 0 0 0 0 0 0 0 0 0 0 75.4890 -0.7400 5.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 75.6070 -0.8330 6.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 75.7040 -2.5690 8.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 77.6630 -2.2460 7.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 76.3170 -3.9380 9.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 78.2030 -3.6310 7.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 M END $$$$ 834877 OpenBabel12061010053D 17 18 0 0 0 0 0 0 0 0999 V2000 16.9340 65.8850 22.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2990 67.2140 26.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7460 63.7760 27.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2290 65.8660 24.7110 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7440 64.7630 25.3600 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5030 65.0560 26.8470 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9940 65.1650 23.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9650 64.4570 23.8710 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8330 65.5000 24.5200 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0520 65.1090 25.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3300 65.5520 23.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8120 65.2140 25.9620 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2110 64.7850 24.1180 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2250 65.7910 26.1580 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8820 65.4160 27.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8960 65.2050 27.4160 C 0 0 2 0 0 0 0 0 0 0 0 0 22.3390 65.5840 27.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 10 2 0 0 0 0 6 15 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 9 4 1 6 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 12 4 1 1 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 8 1 1 0 0 0 14 2 1 1 0 0 0 14 16 1 0 0 0 0 16 3 1 6 0 0 0 16 17 1 0 0 0 0 M END $$$$ 834881 OpenBabel12061010053D 9 8 0 0 0 0 0 0 0 0999 V2000 -3.3620 58.5460 16.8010 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 56.8170 17.6770 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.0610 57.6010 16.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3370 57.7770 17.5170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 56.0210 18.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 59.6960 17.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 59.0040 15.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 55.9160 16.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 57.9370 18.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 M END $$$$ 834934 OpenBabel12061010053D 9 9 0 0 0 0 0 0 0 0999 V2000 31.8910 78.0010 95.2060 N 0 0 0 0 0 0 0 0 0 0 0 0 33.6620 78.8900 96.3220 N 0 0 0 0 0 0 0 0 0 0 0 0 33.7860 78.4380 94.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0960 78.4980 95.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1270 78.0580 92.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1300 78.7170 94.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8260 77.9670 91.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8340 78.6140 92.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1850 78.2440 91.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 4 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 8 9 1 0 0 0 0 M END $$$$ 835020 OpenBabel12061010053D 20 21 0 0 0 0 0 0 0 0999 V2000 16.6360 4.3110 11.5080 P 0 0 0 0 0 0 0 0 0 0 0 0 14.0190 7.0370 13.8780 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2280 5.6890 12.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5380 3.3350 11.6120 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9580 3.9900 12.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8540 4.6900 9.9770 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6820 3.6410 13.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9140 8.5150 11.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9800 6.2550 14.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9680 5.9400 13.7290 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8590 4.9910 14.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4140 5.8100 13.4870 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0430 6.3970 11.8400 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8430 7.5610 12.8100 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7790 5.5780 12.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2040 4.7750 13.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3780 7.1770 13.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2060 8.8190 12.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2040 6.2210 14.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0570 7.3520 13.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 7 16 2 0 0 0 0 8 18 1 0 0 0 0 9 19 2 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 16 1 0 0 0 0 11 19 1 0 0 0 0 12 10 1 6 0 0 0 12 15 1 0 0 0 0 13 3 1 1 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 18 1 6 0 0 0 17 20 2 0 0 0 0 19 20 1 0 0 0 0 M END $$$$ 835060 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 22.0250 22.8640 30.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7740 24.1660 26.4540 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7020 25.3910 30.4930 N 0 0 0 0 0 0 0 0 0 0 0 0 22.5690 21.3040 28.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 24.1210 23.1730 28.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2180 23.5750 29.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3090 23.9130 28.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5160 24.6940 30.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5800 25.0140 29.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8340 21.8750 28.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3080 23.6180 27.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5330 25.2430 31.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 11 1 0 0 0 0 3 8 2 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 M END $$$$ 835070 OpenBabel12061010053D 23 25 0 0 0 0 0 0 0 0999 V2000 31.0250 2.1740 51.3300 P 0 0 0 0 0 0 0 0 0 0 0 0 28.4650 -1.6330 51.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8630 -2.2340 52.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3920 0.7920 53.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 29.8060 1.2710 51.8460 O 0 0 0 0 0 0 0 0 0 0 0 0 32.4160 -4.1930 56.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 31.1740 1.9420 49.8820 O 0 0 0 0 0 0 0 0 0 0 0 0 30.5030 3.6020 51.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 32.2910 1.8890 52.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3710 -2.5980 53.6270 N 0 0 0 0 0 0 0 0 0 0 0 0 31.4090 -2.3010 54.5480 N 0 0 0 0 0 0 0 0 0 0 0 0 28.6970 -4.5940 54.9590 N 0 0 0 0 0 0 0 0 0 0 0 0 30.4160 -5.2720 56.4860 N 0 0 0 0 0 0 0 0 0 0 0 0 28.1210 -2.4270 52.7660 C 0 0 1 0 0 0 0 0 0 0 0 0 29.5380 -3.6240 54.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0830 -1.6050 53.4580 C 0 0 1 0 0 0 0 0 0 0 0 0 27.4790 -0.1280 52.9740 C 0 0 1 0 0 0 0 0 0 0 0 0 27.7740 -0.3510 51.4790 C 0 0 1 0 0 0 0 0 0 0 0 0 30.7570 -3.4170 55.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4750 -1.8450 53.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3440 -4.2650 56.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0370 0.4670 50.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1420 -5.3880 55.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 14 1 0 0 0 0 2 18 1 0 0 0 0 5 22 1 0 0 0 0 6 21 2 0 0 0 0 10 15 1 0 0 0 0 10 20 1 0 0 0 0 11 19 1 0 0 0 0 11 20 2 0 0 0 0 12 15 1 0 0 0 0 12 23 2 0 0 0 0 13 21 1 0 0 0 0 13 23 1 0 0 0 0 14 10 1 1 0 0 0 14 16 1 0 0 0 0 15 19 2 0 0 0 0 16 3 1 6 0 0 0 16 17 1 0 0 0 0 17 4 1 6 0 0 0 17 18 1 0 0 0 0 18 22 1 1 0 0 0 19 21 1 0 0 0 0 M END $$$$ 835134 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 32.3540 -7.4410 21.7830 P 0 0 0 0 0 0 0 0 0 0 0 0 35.1400 -8.0780 21.0240 P 0 0 0 0 0 0 0 0 0 0 0 0 30.5580 -9.8000 18.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 31.2750 -7.8690 20.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 33.5810 -8.4420 21.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0760 -8.8550 19.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6460 -7.8830 17.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 31.8290 -7.6820 23.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 32.6660 -6.0220 21.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 35.7280 -9.3610 21.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 35.6570 -7.2030 22.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 35.1250 -7.5580 19.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1940 -11.1800 20.1830 N 0 0 0 0 0 0 0 0 0 0 0 0 29.7290 -12.0740 22.2110 N 0 0 0 0 0 0 0 0 0 0 0 0 29.4090 -13.1510 18.7730 N 0 0 0 0 0 0 0 0 0 0 0 0 30.0560 -15.0670 20.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 30.4440 -15.0340 22.4170 N 0 0 0 0 0 0 0 0 0 0 0 0 29.1590 -10.0980 19.1800 C 0 0 1 0 0 0 0 0 0 0 0 0 29.4580 -12.5080 19.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4960 -8.7360 19.4680 C 0 0 1 0 0 0 0 0 0 0 0 0 30.6480 -8.5010 18.3810 C 0 0 1 0 0 0 0 0 0 0 0 0 29.3050 -7.7800 18.4990 C 0 0 1 0 0 0 0 0 0 0 0 0 29.7810 -13.0340 21.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3840 -10.9980 21.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6180 -7.6760 19.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1110 -14.4420 21.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7220 -14.4600 18.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 1 0 0 0 0 15 27 2 0 0 0 0 16 26 2 0 0 0 0 16 27 1 0 0 0 0 17 26 1 0 0 0 0 18 13 1 1 0 0 0 18 20 1 0 0 0 0 19 23 2 0 0 0 0 20 6 1 6 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 1 0 0 0 22 7 1 6 0 0 0 23 26 1 0 0 0 0 M END $$$$ 835227 OpenBabel12061010053D 24 25 0 0 0 0 0 0 0 0999 V2000 29.5300 -12.4940 -2.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 34.9160 -19.2870 -5.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 38.5900 -21.9790 -9.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 38.2050 -20.4400 -7.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 30.0520 -13.3660 -1.7360 N 0 3 0 0 0 0 0 0 0 0 0 0 32.7610 -19.9200 -5.1950 N 0 0 0 0 0 0 0 0 0 0 0 0 31.5160 -16.8710 -2.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5440 -14.6370 -2.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3860 -18.9790 -4.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2360 -12.7010 -1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9500 -13.7180 -0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0510 -15.7270 -1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8730 -17.0860 -2.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5900 -17.7150 -3.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3120 -18.1270 -3.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0070 -18.7560 -3.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7750 -11.4130 -0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4930 -12.4630 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0200 -20.0550 -5.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6630 -11.6730 0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2870 -21.0830 -6.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 35.3980 -20.6280 -7.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3180 -21.7600 -8.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 37.8080 -21.3650 -8.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 19 2 0 0 0 0 3 24 2 0 0 0 0 4 24 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 6 19 1 0 0 0 0 7 12 1 0 0 0 0 7 13 2 0 0 0 0 7 14 1 0 0 0 0 8 12 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 13 15 1 0 0 0 0 14 16 2 0 0 0 0 17 20 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 M CHG 1 5 1 M END $$$$ 835257 OpenBabel12061010053D 28 29 0 0 0 0 0 0 0 0999 V2000 26.4970 4.5920 52.2890 Cl 0 0 0 0 0 0 0 0 0 0 0 0 24.8780 1.7020 51.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6000 -0.4530 52.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 31.2080 3.3090 50.5920 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2430 4.0710 50.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 32.1480 0.6030 50.9930 O 0 0 0 0 0 0 0 0 0 0 0 0 31.4270 -0.1720 48.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0990 -0.9670 51.1390 N 0 0 0 0 0 0 0 0 0 0 0 0 27.8790 1.6570 51.4880 C 0 0 1 0 0 0 0 0 0 0 0 0 29.2750 1.6510 50.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9270 0.2460 51.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9290 0.3100 50.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5580 -1.0210 51.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9610 2.2690 52.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3200 0.4300 51.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9820 3.0590 50.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2980 0.2260 50.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3150 3.6340 53.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8400 -2.1480 51.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6870 1.5590 54.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9000 -2.3940 51.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4480 4.1190 54.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8200 2.0630 55.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2330 3.2630 55.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3120 2.0350 51.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2470 -2.2590 53.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1480 2.4670 52.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0590 3.1150 50.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 15 1 0 0 0 0 2 25 1 0 0 0 0 3 15 2 0 0 0 0 4 16 2 0 0 0 0 5 16 1 0 0 0 0 6 17 2 0 0 0 0 7 17 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 1 0 0 0 10 12 2 0 0 0 0 10 16 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 12 17 1 0 0 0 0 13 21 1 0 0 0 0 14 18 2 0 0 0 0 14 20 1 0 0 0 0 18 22 1 0 0 0 0 19 26 1 0 0 0 0 20 23 2 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 M END $$$$ 835330 OpenBabel12061010053D 20 21 0 0 0 0 0 0 0 0999 V2000 -0.5870 -1.4440 -4.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1610 0.9440 -6.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0590 -0.7450 -5.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6320 0.4250 -5.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5590 -0.8980 -5.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1070 0.5490 -5.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9710 -0.9960 -3.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5350 0.3030 -7.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 -0.9720 -6.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0620 0.9270 -4.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8170 -2.0650 -5.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8990 1.7680 -5.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 -1.2430 -4.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8190 0.8160 -6.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -1.1710 -3.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8850 0.4370 -7.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -1.1440 -6.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4210 1.0690 -5.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3960 -3.0840 -6.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9690 2.4770 -4.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 14 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 9 17 2 0 0 0 0 10 18 2 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 M END $$$$ 835365 OpenBabel12061010053D 10 10 0 0 0 0 0 0 0 0999 V2000 9.5480 27.2050 -31.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7910 25.9790 -30.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8100 23.9790 -35.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 24.8850 -32.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9790 26.0340 -31.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6490 25.0200 -33.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6040 23.8820 -34.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2700 23.6860 -31.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3290 22.6770 -33.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0810 22.5630 -32.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 2 5 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 6 7 1 0 0 0 0 7 9 2 0 0 0 0 8 10 2 0 0 0 0 9 10 1 0 0 0 0 M END $$$$ 835429 OpenBabel12061010053D 13 12 0 0 0 0 0 0 0 0999 V2000 25.8120 17.8360 24.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7750 16.9750 24.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9230 11.8620 20.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4510 13.4210 23.6070 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4660 12.1920 21.6490 N 0 0 0 0 0 0 0 0 0 0 0 0 25.4160 15.5310 26.6040 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8810 13.8310 21.9890 N 0 0 0 0 0 0 0 0 0 0 0 0 25.9750 15.5010 25.2090 C 0 0 2 0 0 0 0 0 0 0 0 0 26.5590 16.8630 24.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9340 13.1450 22.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8950 15.0310 24.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9190 13.5120 23.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6150 12.7630 24.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 9 1 0 0 0 0 3 5 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 5 10 1 0 0 0 0 7 10 2 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 M END $$$$ 835465 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 7.3820 -21.3220 2.3150 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6770 -21.9030 1.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3610 -20.4330 3.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8870 -22.5760 3.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5390 -17.9190 -2.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9230 -19.3390 -0.2820 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7960 -20.3080 1.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6570 -19.9690 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3710 -20.0310 -1.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7430 -17.8090 -0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6470 -18.9480 -2.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0790 -17.1940 -0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 M END $$$$ 835485 OpenBabel12061010053D 28 30 0 0 0 0 0 0 0 0999 V2000 -2.9820 -12.8590 50.1510 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.5530 -11.3140 50.0580 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 -13.9110 46.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 -13.2880 48.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1640 -12.0360 49.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8330 -15.1110 48.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 -16.8090 47.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0650 -9.1630 45.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 -14.0080 50.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 -11.9370 50.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8010 -10.0200 49.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4470 -11.1800 51.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7560 -12.1700 49.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 -12.6190 46.3250 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 -10.4440 46.8470 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9370 -13.1040 44.9490 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3620 -11.1920 44.7140 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8360 -13.2200 43.6810 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -13.9230 46.3810 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2170 -12.2720 45.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -14.5010 47.8350 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4820 -10.9420 46.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6510 -14.9470 47.1310 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5400 -15.5170 47.9840 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6690 -11.4440 46.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6210 -10.2880 45.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7830 -14.2880 47.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0100 -12.5120 44.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 9 2 0 0 0 0 1 10 1 0 0 0 0 2 5 1 0 0 0 0 2 11 2 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 19 1 0 0 0 0 3 23 1 0 0 0 0 4 27 1 0 0 0 0 8 26 2 0 0 0 0 14 20 1 0 0 0 0 14 25 1 0 0 0 0 15 22 1 0 0 0 0 15 25 2 0 0 0 0 16 20 1 0 0 0 0 16 28 2 0 0 0 0 17 26 1 0 0 0 0 17 28 1 0 0 0 0 18 28 1 0 0 0 0 19 14 1 1 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 21 6 1 6 0 0 0 21 24 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 1 0 0 0 24 7 1 6 0 0 0 M END $$$$ 835499 OpenBabel12061010053D 28 31 0 0 0 0 0 0 0 0999 V2000 24.0140 13.1110 32.4490 N 0 0 0 0 0 0 0 0 0 0 0 0 24.5840 13.3240 33.6320 N 0 0 0 0 0 0 0 0 0 0 0 0 28.1830 12.5570 32.8170 N 0 0 0 0 0 0 0 0 0 0 0 0 26.7560 13.7270 36.2350 N 0 0 0 0 0 0 0 0 0 0 0 0 26.1270 12.4630 31.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7590 12.7320 32.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7280 12.6710 31.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9200 13.1700 33.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8360 12.0360 30.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4970 10.3290 34.3420 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0520 12.4420 30.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1250 9.2910 35.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2010 9.6900 33.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3910 13.4750 35.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0070 12.8680 33.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1620 11.8090 29.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3050 11.7180 34.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7670 12.0240 29.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9200 8.2740 34.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1110 9.3150 32.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9510 9.3120 36.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0800 9.4750 34.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5340 7.2960 35.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9370 8.7250 31.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5490 8.3260 37.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9020 8.8870 34.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3360 7.3160 36.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8290 8.5050 32.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 2 0 0 0 0 2 8 2 0 0 0 0 3 6 1 0 0 0 0 3 15 1 0 0 0 0 4 14 3 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 7 11 1 0 0 0 0 8 14 1 0 0 0 0 9 16 2 0 0 0 0 10 12 1 1 0 0 0 10 13 1 0 0 0 0 10 17 1 0 0 0 0 11 18 2 0 0 0 0 12 19 2 0 0 0 0 12 21 1 0 0 0 0 13 20 2 0 0 0 0 13 22 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 21 25 2 0 0 0 0 22 26 2 0 0 0 0 23 27 2 0 0 0 0 24 28 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 M END $$$$ 835598 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 24.0140 68.3560 85.7270 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4020 68.9300 89.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3820 70.7280 88.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6040 68.6950 86.4310 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9540 65.4550 87.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7880 67.6970 87.4070 N 0 0 0 0 0 0 0 0 0 0 0 0 22.3920 66.7410 85.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 22.2290 67.8900 87.3110 C 0 0 2 0 0 0 0 0 0 0 0 0 22.6200 69.1420 88.0930 C 0 0 2 0 0 0 0 0 0 0 0 0 24.0820 69.4970 87.8560 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6340 68.0100 85.8390 C 0 0 1 0 0 0 0 0 0 0 0 0 24.3750 69.5850 86.3570 C 0 0 1 0 0 0 0 0 0 0 0 0 25.8560 69.8450 86.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2700 66.4800 87.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7530 66.4130 87.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 835615 OpenBabel12061010053D 23 24 0 0 0 0 0 0 0 0999 V2000 17.4220 11.1310 4.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7220 12.6520 3.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7180 11.3240 4.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1490 12.4730 4.3820 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6350 9.0240 4.2600 N 0 3 0 0 0 0 0 0 0 0 0 0 19.4230 8.9230 0.4180 N 0 3 0 0 0 0 0 0 0 0 0 0 17.8680 7.5280 -0.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9810 10.1660 3.4410 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5040 11.3050 4.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3410 12.8120 3.6090 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1870 10.3170 2.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2980 9.2300 1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6840 13.6120 5.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2560 14.3240 3.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6900 12.2410 4.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2980 8.3620 0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 14.6780 4.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1280 7.8550 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6150 9.0430 4.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9510 8.1160 3.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1310 9.1850 5.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3640 9.1960 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4310 6.7100 -0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 15 2 0 0 0 0 3 15 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 12 1 0 0 0 0 6 18 2 0 0 0 0 6 22 1 0 0 0 0 7 16 1 0 0 0 0 7 18 1 0 0 0 0 7 23 1 0 0 0 0 8 5 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 1 0 0 0 11 12 1 0 0 0 0 12 16 2 0 0 0 0 13 17 1 0 0 0 0 14 17 1 0 0 0 0 M CHG 2 5 1 6 1 M END $$$$ 835741 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 1.6570 -6.2050 83.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 -7.4880 85.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4210 -8.2760 84.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 -4.9360 86.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2450 -7.3970 85.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 -4.5350 87.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3640 -6.3470 85.0030 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3730 -6.5980 86.1490 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4260 -7.4470 84.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -5.2630 86.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 3 9 2 0 0 0 0 4 10 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 1 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 2 1 6 0 0 0 8 10 1 0 0 0 0 M END $$$$ 835758 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 67.8330 54.9850 -5.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 69.2600 58.8120 -5.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 70.9480 56.5770 -4.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 70.1010 53.4590 -3.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 66.1750 59.6450 -5.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 66.9760 58.3070 -6.7340 N 0 0 0 0 0 0 0 0 0 0 0 0 65.7770 55.6940 -6.2110 N 0 0 0 0 0 0 0 0 0 0 0 0 67.5130 57.2720 -5.8410 C 0 0 2 0 0 0 0 0 0 0 0 0 69.0090 57.4360 -5.8130 C 0 0 2 0 0 0 0 0 0 0 0 0 69.5150 56.5420 -4.6590 C 0 0 1 0 0 0 0 0 0 0 0 0 67.1640 55.8910 -6.3350 C 0 0 1 0 0 0 0 0 0 0 0 0 69.0970 55.0770 -4.9360 C 0 0 1 0 0 0 0 0 0 0 0 0 69.0640 54.3450 -3.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 66.3860 59.4440 -6.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 66.0680 60.4380 -7.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 835774 OpenBabel12061010053D 22 23 0 0 0 0 0 0 0 0999 V2000 37.2970 16.5300 16.4660 Cl 0 0 0 0 0 0 0 0 0 0 0 0 35.7010 11.6490 16.1060 N 0 0 0 0 0 0 0 0 0 0 0 0 34.6720 11.3690 20.1970 N 0 0 0 0 0 0 0 0 0 0 0 0 37.4150 7.0040 21.3780 N 0 0 0 0 0 0 0 0 0 0 0 0 35.5910 12.7270 18.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9160 12.7820 16.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0140 11.4680 18.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8410 13.9300 19.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 36.4550 13.9680 16.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8210 10.3730 17.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 36.6740 15.0930 17.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3760 15.0900 18.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1820 10.5030 16.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2140 10.1450 20.9370 C 0 0 1 0 0 0 0 0 0 0 0 0 35.3120 9.0720 20.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8010 10.5100 22.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 36.6180 9.3990 21.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 37.7060 8.4510 21.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 38.2650 6.0480 20.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 37.3130 6.6900 22.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 38.0780 4.5470 20.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 38.6190 6.5410 23.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 13 2 0 0 0 0 3 7 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 6 9 2 0 0 0 0 7 10 2 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 14 3 1 1 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 M END $$$$ 835799 OpenBabel12061010053D 8 7 0 0 0 0 0 0 0 0999 V2000 -6.3830 54.0470 47.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1840 56.7410 47.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6810 56.3340 45.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3110 52.4050 45.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5580 53.5710 46.8530 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7840 54.4210 46.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5170 55.9250 46.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4020 52.7840 45.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 7 2 0 0 0 0 3 7 1 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 M END $$$$ 835825 OpenBabel12061010053D 17 18 0 0 0 0 0 0 0 0999 V2000 17.8220 53.4310 56.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7430 49.3050 58.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1730 47.7660 50.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1360 50.0570 56.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8990 52.0740 56.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3950 49.9350 57.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3260 49.2730 57.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0130 51.4740 56.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3540 51.3520 57.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0230 49.3580 55.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3020 49.3260 53.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2830 49.8800 53.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2140 48.3540 53.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4680 49.8510 51.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3200 48.3190 51.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1590 47.7570 52.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4510 49.3460 50.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 15 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 10 12 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 M END $$$$ 835836 OpenBabel12061010053D 23 25 0 0 0 0 0 0 0 0999 V2000 -16.4310 54.2850 50.0560 P 0 0 0 0 0 0 0 0 0 0 0 0 -13.1000 53.3890 52.5190 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1190 56.0970 51.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0810 55.7340 53.9360 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.2720 54.7010 51.0990 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4320 50.6940 47.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.2660 52.8650 49.7020 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.8200 54.5320 50.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.1410 55.3140 48.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6310 53.1110 50.7760 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.3290 52.1440 48.8400 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2930 52.6120 50.6290 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8100 51.4040 48.5890 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.8120 53.8330 51.9560 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.5270 52.5750 50.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2130 55.2500 51.6360 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.0570 55.6570 52.8380 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.8900 54.4600 53.0400 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.9790 51.9970 48.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6250 52.7830 49.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1020 51.3400 48.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2770 54.4950 52.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4580 52.0050 49.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 14 1 0 0 0 0 2 18 1 0 0 0 0 5 22 1 0 0 0 0 6 21 2 0 0 0 0 10 15 1 0 0 0 0 10 20 1 0 0 0 0 11 19 1 0 0 0 0 11 20 2 0 0 0 0 12 15 1 0 0 0 0 12 23 2 0 0 0 0 13 21 1 0 0 0 0 13 23 1 0 0 0 0 14 10 1 6 0 0 0 14 16 1 0 0 0 0 15 19 2 0 0 0 0 16 3 1 1 0 0 0 16 17 1 0 0 0 0 17 4 1 1 0 0 0 17 18 1 0 0 0 0 18 22 1 6 0 0 0 19 21 1 0 0 0 0 M END $$$$ 835851 OpenBabel12061010053D 11 10 0 0 0 0 0 0 0 0999 V2000 -24.1410 44.5050 88.8320 P 0 0 0 0 0 0 0 0 0 0 0 0 -24.5550 43.6620 87.5770 O 0 0 0 0 0 0 0 0 0 0 0 0 -24.4160 46.0430 88.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 -25.1130 44.2090 90.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 -22.5790 44.2800 89.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 -24.1250 42.5640 86.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.7990 46.9580 87.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -25.2590 42.1270 85.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.7240 41.3790 87.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -24.6320 47.0550 86.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.7080 48.3530 88.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 M END $$$$ 835854 OpenBabel12061010053D 23 25 0 0 0 0 0 0 0 0999 V2000 -16.2350 54.3010 50.3510 P 0 0 0 0 0 0 0 0 0 0 0 0 -13.1560 53.1520 52.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0050 55.8050 51.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9650 55.2510 54.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.1970 54.7820 51.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0670 50.4760 47.3930 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.0590 52.8750 50.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.6770 54.6270 50.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.8830 55.2800 49.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6630 53.0970 50.8070 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.1890 52.0110 48.9330 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2650 52.6100 50.8240 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6190 51.2620 48.9490 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.9370 53.6740 52.0510 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.4890 52.5280 50.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2670 55.1590 51.9600 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.9420 55.3860 53.2800 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.8290 54.1910 53.3680 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.8400 51.8700 49.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6040 52.7260 49.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8800 51.1720 48.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2340 54.3750 52.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3310 51.9510 50.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 14 1 0 0 0 0 2 18 1 0 0 0 0 5 22 1 0 0 0 0 6 21 2 0 0 0 0 10 15 1 0 0 0 0 10 20 1 0 0 0 0 11 19 1 0 0 0 0 11 20 2 0 0 0 0 12 15 1 0 0 0 0 12 23 2 0 0 0 0 13 21 1 0 0 0 0 13 23 1 0 0 0 0 14 10 1 6 0 0 0 14 16 1 0 0 0 0 15 19 2 0 0 0 0 16 3 1 1 0 0 0 16 17 1 0 0 0 0 17 4 1 6 0 0 0 17 18 1 0 0 0 0 18 22 1 6 0 0 0 19 21 1 0 0 0 0 M END $$$$ 835872 OpenBabel12061010053D 36 40 0 0 0 0 0 0 0 0999 V2000 29.5300 49.3390 1.5310 S 0 0 0 0 0 0 0 0 0 0 0 0 28.9740 49.5690 2.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 30.7430 49.9870 1.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5180 46.0620 -0.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8490 45.7360 1.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 29.9300 47.6640 1.5190 N 0 0 0 0 0 0 0 0 0 0 0 0 25.4550 51.1780 -2.3920 N 0 0 0 0 0 0 0 0 0 0 0 0 32.5760 44.3250 0.6380 N 0 0 0 0 0 0 0 0 0 0 0 0 28.2770 49.7360 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7380 44.8010 1.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4570 43.6200 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0060 46.6580 2.0550 C 0 0 2 0 0 0 0 0 0 0 0 0 31.6280 43.3590 0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3810 50.6800 -1.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7910 45.5460 2.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6140 49.7750 -1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9820 50.0620 0.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0510 45.1730 1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6600 50.2560 -1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0370 50.5350 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1180 46.1400 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3150 42.7930 0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6390 42.2640 -0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6940 52.6150 -4.2120 C 0 0 1 0 0 0 0 0 0 0 0 0 25.7160 51.0570 -3.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1100 51.5760 -1.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3390 41.7030 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0130 52.0760 -4.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4340 52.6950 -2.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7430 53.2500 -5.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4930 41.4500 -0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4440 52.6430 -6.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1500 54.4840 -4.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5540 53.2750 -7.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2600 55.1230 -5.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9740 54.5130 -6.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 4 21 2 0 0 0 0 5 21 1 0 0 0 0 7 14 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 9 16 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 18 2 0 0 0 0 11 13 2 0 0 0 0 11 22 1 0 0 0 0 12 6 1 6 0 0 0 12 15 1 0 0 0 0 12 21 1 0 0 0 0 13 23 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 22 27 2 0 0 0 0 23 31 2 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 24 30 1 1 0 0 0 25 28 2 0 0 0 0 26 29 1 0 0 0 0 27 31 1 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 32 34 1 0 0 0 0 33 35 2 0 0 0 0 34 36 2 0 0 0 0 35 36 1 0 0 0 0 M END $$$$ 835900 OpenBabel12061010053D 29 31 0 0 0 0 0 0 0 0999 V2000 42.0020 -10.1230 48.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 42.3270 -12.4460 49.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 44.6940 -9.3400 48.7140 O 0 0 0 0 0 0 0 0 0 0 0 0 40.1410 -11.0410 51.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 45.5090 -9.6250 51.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 42.2770 -13.9700 51.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 45.8540 -10.6350 47.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 42.2360 -11.3280 50.7500 C 0 0 1 0 0 0 0 0 0 0 0 0 43.0800 -11.6230 52.0610 C 0 0 2 0 0 0 0 0 0 0 0 0 42.7230 -10.1190 49.8860 C 0 0 1 0 0 0 0 0 0 0 0 0 44.5350 -11.9110 51.5580 C 0 0 1 0 0 0 0 0 0 0 0 0 44.1720 -10.4870 49.4740 C 0 0 2 0 0 0 0 0 0 0 0 0 40.7170 -11.1450 50.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 45.1230 -10.8030 50.6310 C 0 0 1 0 0 0 0 0 0 0 0 0 42.5290 -12.8780 52.8300 C 0 0 2 0 0 0 0 0 0 0 0 0 45.5360 -12.4390 52.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 40.5560 -10.1160 48.5770 C 0 0 2 0 0 0 0 0 0 0 0 0 39.9720 -11.1210 49.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 42.9790 -10.4770 53.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 42.6370 -8.7300 50.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 43.5130 -13.3970 53.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 44.8760 -13.7040 53.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 46.8160 -12.9200 51.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 45.9800 -11.4560 53.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 40.2550 -10.6730 47.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 39.9260 -8.7480 48.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 45.6820 -9.5620 47.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 40.5630 -11.7580 46.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 46.5060 -8.2910 47.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 17 1 0 0 0 0 3 27 1 0 0 0 0 4 13 2 0 0 0 0 7 27 2 0 0 0 0 8 2 1 6 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 19 1 1 0 0 0 10 12 1 0 0 0 0 10 20 1 1 0 0 0 11 14 1 0 0 0 0 11 16 1 1 0 0 0 12 3 1 1 0 0 0 12 14 1 0 0 0 0 13 18 1 0 0 0 0 14 5 1 1 0 0 0 15 6 1 6 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 25 1 6 0 0 0 17 26 1 0 0 0 0 21 22 1 0 0 0 0 25 28 2 0 0 0 0 27 29 1 0 0 0 0 M END $$$$ 835907 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 24.2180 7.7740 13.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4060 8.4720 14.9180 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5630 7.4420 16.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5760 7.7370 12.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8440 9.6630 11.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2810 6.7140 14.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7980 8.6770 14.7460 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6280 7.4740 15.2600 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0900 8.8480 13.2840 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1030 7.5780 14.8750 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5860 8.9980 13.1120 C 0 0 1 0 0 0 0 0 0 0 0 0 24.9960 6.4150 15.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 836028 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 16.5180 19.4970 52.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9090 16.0400 50.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7100 18.4170 49.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6310 21.9660 51.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6520 15.6630 53.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4220 17.3780 52.1980 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9130 18.6870 54.6540 N 0 0 0 0 0 0 0 0 0 0 0 0 18.0000 17.5510 52.4630 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2800 17.4160 51.0880 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0270 18.2880 50.9230 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7940 18.9080 53.2160 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2950 19.6500 51.5220 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1560 20.6290 51.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1250 16.4300 52.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5930 16.3370 52.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 836036 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 -8.8640 9.0450 22.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3330 9.5410 18.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9540 11.2180 19.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9770 6.9280 20.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5980 6.9070 22.4610 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8230 11.8750 21.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1610 9.1570 19.5560 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.5150 10.4040 20.1790 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.5220 8.1280 20.6270 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.4020 10.0360 21.1810 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.2890 7.8390 21.4790 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.9580 11.2390 22.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 836050 OpenBabel12061010053D 10 10 0 0 0 0 0 0 0 0999 V2000 6.4410 -6.0850 -8.6780 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 -8.0030 -9.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7170 -4.2910 -8.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 -6.2820 -9.3850 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8280 -6.9800 -9.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 -5.0770 -8.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6650 -6.2650 -8.2150 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0130 -4.9030 -8.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 -6.7410 -10.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 -7.5580 -9.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 6 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 1 1 6 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 M END $$$$ 836070 OpenBabel12061010053D 9 8 0 0 0 0 0 0 0 0999 V2000 25.1170 18.7870 66.6770 N 0 3 0 0 0 0 0 0 0 0 0 0 23.7520 18.9790 67.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1100 19.9060 67.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8710 18.8220 65.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7540 17.4370 67.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8780 18.6180 68.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3050 21.1430 67.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1700 19.0910 64.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1380 16.3020 66.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 M CHG 1 1 1 M END $$$$ 836074 OpenBabel12061010053D 29 31 0 0 0 0 0 0 0 0999 V2000 42.0370 -10.1490 48.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 42.2750 -12.4540 49.5920 O 0 0 0 0 0 0 0 0 0 0 0 0 44.7050 -9.4180 48.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 40.1050 -10.9440 51.6870 O 0 0 0 0 0 0 0 0 0 0 0 0 45.4790 -9.6920 51.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 42.1450 -13.9040 51.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 46.1570 -10.5200 47.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 42.2000 -11.3090 50.4880 C 0 0 1 0 0 0 0 0 0 0 0 0 43.0070 -11.6000 51.8110 C 0 0 2 0 0 0 0 0 0 0 0 0 42.7360 -10.1400 49.6170 C 0 0 1 0 0 0 0 0 0 0 0 0 44.4690 -11.9370 51.3610 C 0 0 1 0 0 0 0 0 0 0 0 0 44.1720 -10.5450 49.2450 C 0 0 2 0 0 0 0 0 0 0 0 0 40.6800 -11.0780 50.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 45.0970 -10.8660 50.4310 C 0 0 1 0 0 0 0 0 0 0 0 0 42.4030 -12.8140 52.5690 C 0 0 2 0 0 0 0 0 0 0 0 0 45.4300 -12.4790 52.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 40.5950 -10.0850 48.2910 C 0 0 2 0 0 0 0 0 0 0 0 0 39.9430 -11.0450 49.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.9120 -10.4250 52.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 42.6710 -8.7370 50.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 43.3450 -13.3450 53.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 44.7220 -13.7040 53.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 46.7310 -13.0260 51.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 45.8590 -11.4820 53.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 40.2760 -10.6190 46.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 40.0470 -8.6850 48.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 45.8820 -9.5530 47.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 39.9710 -11.7510 46.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 46.7690 -8.3140 48.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 17 1 0 0 0 0 3 27 1 0 0 0 0 4 13 2 0 0 0 0 7 27 2 0 0 0 0 8 2 1 6 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 19 1 1 0 0 0 10 12 1 0 0 0 0 10 20 1 1 0 0 0 11 14 1 0 0 0 0 11 16 1 1 0 0 0 12 3 1 1 0 0 0 12 14 1 0 0 0 0 13 18 1 0 0 0 0 14 5 1 1 0 0 0 15 6 1 6 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 25 1 6 0 0 0 17 26 1 0 0 0 0 21 22 1 0 0 0 0 25 28 2 0 0 0 0 27 29 1 0 0 0 0 M END $$$$ 836075 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 45.7230 1.3780 51.9660 S 0 0 0 0 0 0 0 0 0 0 0 0 47.0620 1.8270 51.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 45.3030 0.3790 51.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 45.5220 0.9610 53.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 45.6750 7.3260 49.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 44.8320 4.8030 50.1950 N 0 0 0 0 0 0 0 0 0 0 0 0 44.6720 2.7900 51.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 44.8050 3.3350 50.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 44.3480 5.3160 48.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 46.2340 5.4250 50.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 44.3670 6.8150 48.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.1750 6.9140 50.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 M END $$$$ 836136 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 36.2260 66.0590 24.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 37.1500 62.2030 22.8250 O 0 0 0 0 0 0 0 0 0 0 0 0 35.6690 63.9430 21.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 34.9600 67.7520 21.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 37.9080 61.8590 26.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 38.8200 63.4990 24.7740 N 0 0 0 0 0 0 0 0 0 0 0 0 37.6600 65.8880 25.9510 N 0 0 0 0 0 0 0 0 0 0 0 0 37.5210 64.0110 24.3850 C 0 0 2 0 0 0 0 0 0 0 0 0 37.2290 63.6180 22.9340 C 0 0 2 0 0 0 0 0 0 0 0 0 35.9090 64.2440 22.4830 C 0 0 1 0 0 0 0 0 0 0 0 0 37.4790 65.5400 24.5520 C 0 0 1 0 0 0 0 0 0 0 0 0 35.9810 65.7590 22.6800 C 0 0 1 0 0 0 0 0 0 0 0 0 34.6960 66.4630 22.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 38.9020 62.4410 25.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 40.2980 61.9560 25.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 836160 OpenBabel12061010053D 13 12 0 0 0 0 0 0 0 0999 V2000 83.6670 64.8050 1.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 80.0510 64.3180 0.8080 O 0 0 0 0 0 0 0 0 0 0 0 0 80.3330 65.6920 2.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 83.1020 65.3250 4.8970 O 0 0 0 0 0 0 0 0 0 0 0 0 82.6540 66.5960 3.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 83.4520 61.1910 1.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 81.8880 61.8380 -0.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 81.5540 63.6950 2.4970 C 0 0 1 0 0 0 0 0 0 0 0 0 82.9730 64.2740 2.7400 C 0 0 2 0 0 0 0 0 0 0 0 0 80.5730 64.6560 1.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 82.9020 65.4670 3.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 81.5100 62.2220 2.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 82.4120 61.8050 0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 2 10 2 0 0 0 0 3 10 1 0 0 0 0 4 11 2 0 0 0 0 5 11 1 0 0 0 0 6 13 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 6 0 0 0 8 12 1 0 0 0 0 9 1 1 6 0 0 0 9 11 1 0 0 0 0 12 13 1 0 0 0 0 M END $$$$ 836174 OpenBabel12061010053D 11 10 0 0 0 0 0 0 0 0999 V2000 -32.0210 37.4580 -13.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -32.8770 37.4310 -12.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -31.1660 38.6510 -14.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -33.8230 36.2700 -12.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -30.3610 38.3900 -15.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -34.7680 36.1240 -11.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -31.1740 38.0620 -16.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -36.0340 35.4070 -12.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -30.4330 37.7580 -17.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -37.1710 35.9070 -11.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -31.0140 38.4440 -19.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 M END $$$$ 836177 OpenBabel12061010053D 13 12 0 0 0 0 0 0 0 0999 V2000 -11.9070 21.2320 -7.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6180 20.2080 -6.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0500 21.4200 -8.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6990 20.2360 -5.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7550 22.4400 -9.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9940 20.9470 -5.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1610 22.8470 -10.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1120 20.9890 -4.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1470 23.7150 -11.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4380 20.7680 -5.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8090 24.2450 -12.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5550 21.4680 -4.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4400 23.1930 -13.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 M END $$$$ 836189 OpenBabel12061010053D 22 25 0 0 0 0 0 0 0 0999 V2000 91.9160 61.5340 -7.3900 P 0 0 0 0 0 0 0 0 0 0 0 0 93.5130 58.7930 -4.4540 O 0 0 0 0 0 0 0 0 0 0 0 0 92.8030 61.8260 -6.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 91.2420 60.1120 -7.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 93.5670 61.8270 -3.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 92.8520 61.3270 -8.5170 O 0 0 0 0 0 0 0 0 0 0 0 0 90.8760 62.5830 -7.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 95.7650 58.9860 -3.8160 N 0 0 0 0 0 0 0 0 0 0 0 0 97.6660 57.9900 -3.1400 N 0 0 0 0 0 0 0 0 0 0 0 0 96.2410 59.1850 -6.1970 N 0 0 0 0 0 0 0 0 0 0 0 0 98.4100 58.2770 -6.7560 N 0 0 0 0 0 0 0 0 0 0 0 0 99.8610 57.3680 -5.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 94.4400 59.5910 -3.7270 C 0 0 1 0 0 0 0 0 0 0 0 0 93.6130 60.7820 -5.5900 C 0 0 1 0 0 0 0 0 0 0 0 0 94.3410 61.0270 -4.2760 C 0 0 1 0 0 0 0 0 0 0 0 0 92.6530 59.6870 -5.1990 C 0 0 1 0 0 0 0 0 0 0 0 0 96.5430 58.8260 -4.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 97.7080 58.2150 -4.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 91.9900 59.0810 -6.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 96.4970 58.4620 -2.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 98.6820 57.9370 -5.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 97.2360 58.8620 -7.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 2 13 1 0 0 0 0 4 19 1 0 0 0 0 8 17 1 0 0 0 0 8 20 1 0 0 0 0 9 18 1 0 0 0 0 9 20 2 0 0 0 0 10 17 2 0 0 0 0 10 22 1 0 0 0 0 11 21 1 0 0 0 0 11 22 2 0 0 0 0 12 21 1 0 0 0 0 13 8 1 6 0 0 0 13 15 1 0 0 0 0 14 3 1 1 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 5 1 1 0 0 0 16 2 1 6 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 18 21 2 0 0 0 0 M END $$$$ 836228 OpenBabel12061010053D 21 22 0 0 0 0 0 0 0 0999 V2000 98.1230 91.0540 30.7630 Br 0 0 0 0 0 0 0 0 0 0 0 0 105.1710 92.1220 24.5000 F 0 0 0 0 0 0 0 0 0 0 0 0 106.3080 90.7630 30.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 108.1410 92.1170 29.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 104.5830 89.9100 29.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 106.2030 91.4260 27.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 105.6960 90.6670 29.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 104.0070 89.2740 30.1730 C 0 0 1 0 0 0 0 0 0 0 0 0 107.3910 92.1350 27.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 102.5440 89.6960 30.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 105.4580 91.4150 26.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 105.8880 92.1240 25.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 107.8140 92.8610 26.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 107.0720 92.8440 25.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 102.0160 90.0380 31.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 101.7100 89.7590 29.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 99.8710 90.5260 30.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 104.1090 87.7370 30.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 100.6840 90.4560 31.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 100.3870 90.1900 29.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 104.1360 89.7760 28.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 12 1 0 0 0 0 3 7 2 0 0 0 0 4 9 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 6 11 1 0 0 0 0 8 5 1 6 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 9 13 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 12 14 1 0 0 0 0 13 14 2 0 0 0 0 15 19 1 0 0 0 0 16 20 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 M END $$$$ 836270 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 29.2390 53.1950 61.6550 P 0 0 0 0 0 0 0 0 0 0 0 0 29.8500 51.8330 61.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 31.7260 47.4850 58.6810 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8500 52.9170 62.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3910 54.0160 60.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1080 53.7910 62.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 31.4410 47.3680 62.2680 N 0 0 0 0 0 0 0 0 0 0 0 0 29.6250 49.6530 58.1330 N 0 0 0 0 0 0 0 0 0 0 0 0 30.5590 49.4410 61.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8290 49.1050 60.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4400 47.8590 59.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7250 46.9930 60.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9260 50.7220 62.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8600 48.5480 62.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5380 50.0400 59.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4000 45.6380 60.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 M END $$$$ 836321 OpenBabel12061010053D 11 11 0 0 0 0 0 0 0 0999 V2000 27.0590 -9.1660 31.7980 S 0 0 2 0 0 0 0 0 0 0 0 0 22.5480 -6.1050 35.7980 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9930 -8.3900 30.7910 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4200 -10.4440 31.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4750 -7.4590 34.5630 N 0 0 0 0 0 0 0 0 0 0 0 0 25.6700 -8.2180 33.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0000 -8.1000 35.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7350 -5.9320 34.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7810 -8.0950 32.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9270 -7.2420 36.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6270 -5.2010 35.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 6 0 0 0 1 4 1 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 M END $$$$ 836370 OpenBabel12061010053D 28 31 0 0 0 0 0 0 0 0999 V2000 27.2600 11.7720 28.2920 F 0 0 0 0 0 0 0 0 0 0 0 0 24.6180 12.6020 28.2730 F 0 0 0 0 0 0 0 0 0 0 0 0 29.0310 12.6850 33.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 26.8810 13.2410 34.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 24.8290 13.4300 32.9860 N 0 0 0 0 0 0 0 0 0 0 0 0 26.8090 12.7560 31.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5800 12.8760 33.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4270 13.0930 31.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2400 10.6660 34.6960 C 0 0 2 0 0 0 0 0 0 0 0 0 27.4470 12.3030 30.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8810 11.8690 33.9090 C 0 0 2 0 0 0 0 0 0 0 0 0 26.6870 12.2360 29.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6740 13.0360 30.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3090 12.6140 29.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2420 9.8240 35.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2520 9.7790 33.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5520 13.4980 34.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1840 8.9890 34.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5590 9.2720 32.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2080 9.8420 36.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9850 9.4720 34.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6380 12.8540 34.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0730 8.1870 35.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6280 8.4840 31.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0970 9.0410 37.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0540 8.6870 33.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0270 8.2130 37.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3770 8.1940 32.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 14 1 0 0 0 0 3 7 1 0 0 0 0 4 7 1 0 0 0 0 4 17 2 0 0 0 0 5 8 2 0 0 0 0 5 17 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 13 1 0 0 0 0 9 15 1 6 0 0 0 9 16 1 0 0 0 0 10 12 2 0 0 0 0 11 9 1 0 0 0 0 11 3 1 1 0 0 0 11 22 1 0 0 0 0 12 14 1 0 0 0 0 13 14 2 0 0 0 0 15 18 2 0 0 0 0 15 20 1 0 0 0 0 16 19 2 0 0 0 0 16 21 1 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 20 25 2 0 0 0 0 21 26 2 0 0 0 0 23 27 2 0 0 0 0 24 28 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 M END $$$$ 836384 OpenBabel12061010053D 11 10 0 0 0 0 0 0 0 0999 V2000 14.2200 52.6940 18.6690 F 0 0 0 0 0 0 0 0 0 0 0 0 14.2650 54.2380 17.0130 F 0 0 0 0 0 0 0 0 0 0 0 0 15.6540 52.4860 16.9860 F 0 0 0 0 0 0 0 0 0 0 0 0 11.7910 51.6620 18.2020 F 0 0 0 0 0 0 0 0 0 0 0 0 11.3140 51.5840 16.0340 F 0 0 0 0 0 0 0 0 0 0 0 0 11.5640 53.5440 16.9620 F 0 0 0 0 0 0 0 0 0 0 0 0 13.4770 52.5550 15.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7080 50.7360 16.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4110 52.1240 16.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4090 52.9090 17.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9910 52.2480 16.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 10 1 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 5 11 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 M END $$$$ 836435 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 26.8150 -9.5080 32.2720 S 0 0 0 0 0 0 0 0 0 0 0 0 27.7420 -8.7220 31.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1490 -10.7460 31.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7870 -10.1140 33.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3410 -6.4430 36.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2120 -7.8850 35.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 25.5720 -8.4280 32.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3490 -8.7170 34.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7350 -8.4400 36.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5590 -6.3750 35.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7910 -7.4400 37.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3750 -5.5570 35.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 M END $$$$ 836515 OpenBabel12061010053D 23 26 0 0 0 0 0 0 0 0999 V2000 19.0210 45.9880 48.5630 S 0 0 0 0 0 0 0 0 0 0 0 0 19.5830 46.0200 46.7510 P 0 0 0 0 0 0 0 0 0 0 0 0 18.9650 44.9100 45.6650 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8640 44.8270 43.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1100 46.1690 46.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0620 47.3030 46.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0690 41.0890 39.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7630 42.3160 44.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8010 44.1670 42.7000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7810 43.8540 40.7150 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7600 41.9110 42.9780 N 0 0 0 0 0 0 0 0 0 0 0 0 20.3010 40.4910 41.1760 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5550 39.7380 42.9330 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1360 44.2580 45.1950 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4150 44.8910 43.8380 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4370 44.8170 45.9860 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5440 44.8050 44.9510 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0410 42.8400 42.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4270 42.6740 41.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0270 44.7170 41.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5520 41.4090 40.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4240 43.5780 44.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8720 40.7330 42.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 4 15 1 0 0 0 0 4 17 1 0 0 0 0 7 21 2 0 0 0 0 8 22 1 0 0 0 0 9 18 1 0 0 0 0 9 20 1 0 0 0 0 10 19 1 0 0 0 0 10 20 2 0 0 0 0 11 18 1 0 0 0 0 11 23 2 0 0 0 0 12 21 1 0 0 0 0 12 23 1 0 0 0 0 13 23 1 0 0 0 0 14 3 1 1 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 9 1 6 0 0 0 16 5 1 6 0 0 0 16 17 1 0 0 0 0 17 22 1 6 0 0 0 18 19 2 0 0 0 0 19 21 1 0 0 0 0 M END $$$$ 836630 OpenBabel12061010053D 5 4 0 0 0 0 0 0 0 0999 V2000 27.3950 36.9740 45.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0170 38.5360 45.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9330 35.8560 47.4860 N 0 0 0 0 0 0 0 0 0 0 0 0 26.3960 37.6030 45.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5760 37.2150 47.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 M END $$$$ 836673 OpenBabel12061010053D 25 26 0 0 0 0 0 0 0 0999 V2000 33.1310 34.0620 14.4280 P 0 0 0 0 0 0 0 0 0 0 0 0 34.4440 32.0830 21.3050 P 0 0 0 0 0 0 0 0 0 0 0 0 31.8500 34.4160 18.9310 O 0 0 0 0 0 0 0 0 0 0 0 0 32.4620 34.2350 15.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 33.4090 32.4910 20.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 32.3530 38.6380 18.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 33.9390 35.2830 14.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 32.0350 33.6160 13.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 34.1590 32.8350 14.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 33.5570 39.1610 22.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 33.7160 31.2920 22.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 35.1740 33.3330 21.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 35.3790 31.2050 20.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 32.2900 36.6990 19.6630 N 0 0 0 0 0 0 0 0 0 0 0 0 32.9360 38.8350 20.4960 N 0 0 0 0 0 0 0 0 0 0 0 0 32.0130 35.7840 18.5030 C 0 0 1 0 0 0 0 0 0 0 0 0 33.2480 34.4140 17.0490 C 0 0 2 0 0 0 0 0 0 0 0 0 32.7170 33.5770 18.1590 C 0 0 1 0 0 0 0 0 0 0 0 0 33.2010 35.8330 17.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5130 38.0840 19.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4860 36.1670 20.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8750 33.0760 18.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9050 36.9250 22.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1470 38.3630 21.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0500 36.2890 23.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 11 2 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 16 1 0 0 0 0 3 18 1 0 0 0 0 5 22 1 0 0 0 0 6 20 2 0 0 0 0 10 24 2 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 15 20 1 0 0 0 0 15 24 1 0 0 0 0 16 14 1 1 0 0 0 16 19 1 0 0 0 0 17 4 1 1 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 22 1 1 0 0 0 21 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 M END $$$$ 836690 OpenBabel12061010053D 27 29 0 0 0 0 0 0 0 0999 V2000 65.9780 16.7700 81.8450 P 0 0 0 0 0 0 0 0 0 0 0 0 66.0190 18.5340 84.4590 P 0 0 0 0 0 0 0 0 0 0 0 0 68.5680 14.2840 78.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 66.6750 16.9340 80.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 66.0130 18.1110 82.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 68.2630 13.4800 75.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 68.6550 16.1070 76.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 64.5700 16.5900 81.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 66.7770 15.6730 82.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 64.7520 19.2840 84.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 67.2120 19.4160 84.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 66.0430 17.2630 85.2260 O 0 0 0 0 0 0 0 0 0 0 0 0 66.9080 12.2060 78.4430 N 0 0 0 0 0 0 0 0 0 0 0 0 65.2530 11.2630 79.6560 N 0 0 0 0 0 0 0 0 0 0 0 0 66.9610 10.3940 76.7260 N 0 0 0 0 0 0 0 0 0 0 0 0 65.3520 8.7550 77.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 63.8630 8.9180 78.8830 N 0 0 0 0 0 0 0 0 0 0 0 0 67.9320 13.2200 77.9160 C 0 0 1 0 0 0 0 0 0 0 0 0 66.5780 11.0710 77.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 67.5180 13.9510 76.6270 C 0 0 1 0 0 0 0 0 0 0 0 0 67.9820 15.6090 78.3900 C 0 0 1 0 0 0 0 0 0 0 0 0 67.6850 15.4510 76.8900 C 0 0 1 0 0 0 0 0 0 0 0 0 65.5550 10.5430 78.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 66.1250 12.2580 79.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 66.6960 16.0410 79.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 64.9170 9.3640 78.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 66.3660 9.2460 76.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 24 2 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 26 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 18 13 1 1 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 20 6 1 1 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 6 0 0 0 22 7 1 1 0 0 0 23 26 2 0 0 0 0 M END $$$$ 836692 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 42.5850 49.7340 19.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 46.2960 50.4160 17.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 44.4860 48.4110 16.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 44.9450 52.5950 18.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 42.2850 51.8230 18.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 42.8420 46.9030 19.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 44.8730 50.4980 17.5940 C 0 0 1 0 0 0 0 0 0 0 0 0 44.2940 49.0840 17.5930 C 0 0 1 0 0 0 0 0 0 0 0 0 44.5500 51.2010 18.9260 C 0 0 2 0 0 0 0 0 0 0 0 0 42.8130 49.1090 17.9060 C 0 0 1 0 0 0 0 0 0 0 0 0 43.0570 51.1130 19.1980 C 0 0 2 0 0 0 0 0 0 0 0 0 42.1910 47.7220 18.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 6 0 0 0 M END $$$$ 836693 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 39.3400 42.3080 21.4380 P 0 0 0 0 0 0 0 0 0 0 0 0 41.3350 40.0600 18.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 39.5970 42.0910 19.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 43.6800 42.7130 19.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 45.4410 40.6910 18.4650 O 0 0 0 0 0 0 0 0 0 0 0 0 44.3790 38.0470 18.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 41.5660 37.8060 18.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 37.9140 42.2500 21.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 39.7370 43.6950 21.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 40.1410 41.3670 22.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 41.8460 41.2260 19.4960 C 0 0 1 0 0 0 0 0 0 0 0 0 43.2340 41.5630 18.9230 C 0 0 2 0 0 0 0 0 0 0 0 0 44.1790 40.3940 19.0490 C 0 0 1 0 0 0 0 0 0 0 0 0 43.5300 39.1730 18.3610 C 0 0 2 0 0 0 0 0 0 0 0 0 42.1910 38.9480 19.0620 C 0 0 1 0 0 0 0 0 0 0 0 0 40.8580 42.3260 19.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 6 0 0 0 12 4 1 1 0 0 0 12 13 1 0 0 0 0 13 5 1 6 0 0 0 13 14 1 0 0 0 0 14 6 1 1 0 0 0 14 15 1 0 0 0 0 15 7 1 6 0 0 0 M END $$$$ 836700 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 22.8090 22.0070 6.4540 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7010 19.1650 9.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7390 19.0250 7.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8530 20.1250 4.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9160 22.3810 9.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1060 21.9000 10.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 21.6630 23.5520 7.7890 N 0 0 0 0 0 0 0 0 0 0 0 0 22.2110 21.3910 8.7110 C 0 0 2 0 0 0 0 0 0 0 0 0 23.2360 20.2700 8.6870 C 0 0 2 0 0 0 0 0 0 0 0 0 23.5860 19.8500 7.2470 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6520 22.5040 7.7780 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8820 21.0620 6.3620 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0380 20.7080 4.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9510 22.3490 10.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9480 22.8640 11.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 836701 OpenBabel12061010053D 31 33 0 0 0 0 0 0 0 0999 V2000 52.9330 30.7640 -14.7110 P 0 0 0 0 0 0 0 0 0 0 0 0 62.2770 33.8230 -20.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 62.0200 35.0830 -16.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 58.0800 32.3880 -16.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 58.1870 29.1280 -14.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 54.4100 31.2430 -14.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 56.5630 30.5130 -12.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 52.7130 29.5030 -14.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 52.0260 31.8720 -14.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 52.7490 30.4750 -16.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 60.3890 30.9520 -17.5450 N 0 3 0 0 0 0 0 0 0 0 0 0 60.9630 31.3570 -20.2670 N 0 0 0 0 0 0 0 0 0 0 0 0 61.2700 33.0280 -16.9520 N 0 0 0 0 0 0 0 0 0 0 0 0 62.2090 34.4170 -18.6700 N 0 0 0 0 0 0 0 0 0 0 0 0 60.9870 32.1220 -17.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 60.1780 29.8990 -18.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 61.2660 32.2730 -19.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 60.4620 30.1560 -19.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 61.9440 33.5440 -19.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 59.8260 28.5900 -18.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 59.9860 30.7420 -16.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 60.3540 29.0720 -20.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 61.8410 34.2070 -17.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 59.7230 27.5470 -18.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 59.9790 27.7950 -20.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 58.4950 31.0310 -15.9490 C 0 0 1 0 0 0 0 0 0 0 0 0 58.0980 30.5590 -14.5500 C 0 0 1 0 0 0 0 0 0 0 0 0 56.7440 31.0350 -13.9890 C 0 0 1 0 0 0 0 0 0 0 0 0 59.3470 26.1900 -18.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 59.8450 26.6740 -21.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 55.5830 30.5900 -14.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 19 2 0 0 0 0 3 23 2 0 0 0 0 6 31 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 19 1 0 0 0 0 14 23 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 17 19 1 0 0 0 0 18 22 2 0 0 0 0 20 24 1 0 0 0 0 22 25 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 26 21 1 1 0 0 0 26 4 1 0 0 0 0 26 27 1 0 0 0 0 27 5 1 6 0 0 0 27 28 1 0 0 0 0 28 7 1 6 0 0 0 28 31 1 0 0 0 0 M CHG 1 11 1 M END $$$$ 836707 OpenBabel12061010053D 31 33 0 0 0 0 0 0 0 0999 V2000 12.3870 16.2980 35.2900 P 0 0 0 0 0 0 0 0 0 0 0 0 13.4300 21.0580 45.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5890 22.0270 42.5770 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7740 19.7250 39.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8730 21.5800 36.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2300 17.5730 35.8300 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8240 20.3720 35.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6840 16.6790 34.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6450 15.6750 36.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5570 15.3290 34.8310 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2550 21.6590 41.1100 N 0 3 0 0 0 0 0 0 0 0 0 0 11.4160 21.1480 43.7660 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4700 21.9090 41.8200 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9960 21.6500 44.1500 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1770 21.6180 42.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8750 21.5070 41.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6870 21.3290 43.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5120 21.2910 42.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6890 21.3260 44.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9090 21.6530 40.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6370 21.9090 39.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1090 21.2490 43.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3900 21.8790 42.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5480 21.6580 40.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1630 21.4590 42.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7700 20.6310 38.9160 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0430 20.9890 37.4870 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5760 19.8640 36.5830 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5150 21.9150 39.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7080 21.5060 42.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5950 18.6880 36.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 19 2 0 0 0 0 3 23 2 0 0 0 0 6 31 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 19 1 0 0 0 0 14 23 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 17 19 1 0 0 0 0 18 22 2 0 0 0 0 20 24 1 0 0 0 0 22 25 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 26 21 1 6 0 0 0 26 4 1 0 0 0 0 26 27 1 0 0 0 0 27 5 1 6 0 0 0 27 28 1 0 0 0 0 28 7 1 6 0 0 0 28 31 1 0 0 0 0 M CHG 1 11 1 M END $$$$ 836729 OpenBabel12061010053D 31 33 0 0 0 0 0 0 0 0999 V2000 12.4110 16.3010 35.8000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.8260 21.1290 46.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8250 21.9310 43.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9420 19.6080 39.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9670 21.4900 37.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2770 17.5680 36.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8540 20.2940 35.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7370 16.5970 34.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7220 15.6180 36.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6180 15.4110 35.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4470 21.5720 41.7430 N 0 3 0 0 0 0 0 0 0 0 0 0 11.6560 21.1590 44.4620 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6730 21.7780 42.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2880 21.5750 44.7090 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4020 21.5370 42.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0780 21.4550 42.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9370 21.3060 44.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7060 21.3050 43.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0120 21.3220 45.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1120 21.5760 41.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8330 21.8050 40.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2950 21.3340 43.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6300 21.7810 43.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7550 21.6410 41.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3450 21.5380 42.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9390 20.5440 39.4910 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1680 20.9270 38.0370 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6730 19.7980 37.1320 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7700 21.8290 40.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8790 21.6480 43.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6960 18.6180 37.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 19 2 0 0 0 0 3 23 2 0 0 0 0 6 31 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 19 1 0 0 0 0 14 23 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 17 19 1 0 0 0 0 18 22 2 0 0 0 0 20 24 1 0 0 0 0 22 25 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 26 21 1 6 0 0 0 26 4 1 0 0 0 0 26 27 1 0 0 0 0 27 5 1 1 0 0 0 27 28 1 0 0 0 0 28 7 1 6 0 0 0 28 31 1 0 0 0 0 M CHG 1 11 1 M END $$$$ 836760 OpenBabel12061010053D 9 9 0 0 0 0 0 0 0 0999 V2000 49.7920 39.5980 6.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 50.3800 38.7770 8.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 54.2710 40.2020 8.2740 N 0 0 0 0 0 0 0 0 0 0 0 0 52.0430 39.9240 7.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 50.6740 39.4100 7.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 53.0510 39.7210 8.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 52.3550 40.5900 6.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 53.6520 41.0230 6.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 54.5880 40.8190 7.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 M END $$$$ 836785 OpenBabel12061010053D 14 14 0 0 0 0 0 0 0 0999 V2000 0.7860 2.9100 29.0250 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 3.1710 29.7590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 1.4220 29.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7280 3.6470 29.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 3.4530 27.6060 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6780 3.6080 27.7490 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8300 2.4560 26.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7500 3.0390 27.2120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 3.1350 29.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4310 3.0750 27.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 2.1760 28.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9440 4.0720 29.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 2.1510 27.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1990 4.0320 28.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 9 1 0 0 0 0 6 8 2 0 0 0 0 7 8 2 0 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 12 14 2 0 0 0 0 M END $$$$ 836813 OpenBabel12061010053D 26 28 0 0 0 0 0 0 0 0999 V2000 20.0030 21.3540 13.7560 S 0 0 0 0 0 0 0 0 0 0 0 0 21.4370 22.5100 11.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7320 21.8810 8.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2630 22.0210 8.9730 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1270 16.5840 14.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6180 17.6350 12.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4190 23.2450 10.3570 N 0 0 0 0 0 0 0 0 0 0 0 0 25.6030 23.0540 10.5810 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5410 25.3950 9.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 25.7450 26.1270 8.8240 N 0 0 0 0 0 0 0 0 0 0 0 0 27.5450 24.7920 9.5050 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2880 19.4890 11.9490 N 0 0 0 0 0 0 0 0 0 0 0 0 21.9860 22.8950 10.3730 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9540 24.2770 9.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5790 21.6970 9.5480 C 0 0 1 0 0 0 0 0 0 0 0 0 25.3040 24.1140 9.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1310 21.5280 9.9910 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0680 22.4090 11.2270 C 0 0 1 0 0 0 0 0 0 0 0 0 24.4130 22.5250 10.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2400 25.0270 9.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1240 21.9380 12.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4330 26.2870 8.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0200 19.5820 13.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7400 18.8920 13.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8820 18.3580 12.7150 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7910 17.4580 13.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 23 1 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 5 26 2 0 0 0 0 6 26 1 0 0 0 0 7 14 1 0 0 0 0 7 19 1 0 0 0 0 8 16 1 0 0 0 0 8 19 2 0 0 0 0 9 14 2 0 0 0 0 9 22 1 0 0 0 0 10 20 1 0 0 0 0 10 22 2 0 0 0 0 11 20 1 0 0 0 0 13 7 1 1 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 3 1 6 0 0 0 15 17 1 0 0 0 0 16 20 2 0 0 0 0 17 4 1 6 0 0 0 17 18 1 0 0 0 0 18 21 1 1 0 0 0 23 24 1 0 0 0 0 25 24 1 1 0 0 0 25 12 1 0 0 0 0 25 26 1 0 0 0 0 M END $$$$ 836834 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 -3.3490 -28.1110 9.7860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 -29.4880 11.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -26.7430 10.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -26.8740 7.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -28.8500 13.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 -30.5270 12.3330 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5520 -29.8340 10.9130 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1080 -29.6360 11.1870 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8520 -28.7310 11.2600 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9240 -27.7590 10.0600 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4430 -28.8920 10.9750 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3280 -27.1180 9.9320 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3750 -26.1690 8.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -30.0550 13.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -31.1310 14.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 836837 OpenBabel12061010053D 27 30 0 0 0 0 0 0 0 0999 V2000 46.3960 37.9730 -1.9620 F 0 0 0 0 0 0 0 0 0 0 0 0 47.1710 41.2310 -5.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 49.1680 40.4590 -6.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 49.9660 41.9490 -1.7260 N 0 0 0 0 0 0 0 0 0 0 0 0 48.8510 41.3720 -4.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 48.5230 40.5940 -3.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 50.2340 42.7540 -2.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 49.7120 42.4580 -4.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 49.1120 40.9180 -1.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 51.1690 43.8720 -2.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 48.2980 41.0300 -5.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 47.5980 39.5550 -3.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 48.7800 40.2090 -0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 47.2690 38.8540 -1.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 52.2830 44.0620 -3.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 50.9840 44.6400 -1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 47.8720 39.1660 -0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 50.0330 43.3050 -5.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 52.9950 45.8600 -1.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 53.1650 45.0550 -2.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 51.8860 45.6300 -1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.0710 46.8840 -1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 54.6510 46.7700 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 54.6160 47.7870 -2.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 55.6780 47.6120 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 55.6380 48.6290 -1.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 56.1860 48.5320 -0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 11 2 0 0 0 0 3 11 1 0 0 0 0 4 7 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 18 1 0 0 0 0 9 13 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 12 14 2 0 0 0 0 13 17 2 0 0 0 0 14 17 1 0 0 0 0 15 20 1 0 0 0 0 16 21 2 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 M END $$$$ 836846 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 -3.4400 -28.1180 9.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -29.3320 11.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -26.9830 9.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 -26.9620 7.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 -29.0030 13.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 -30.5860 12.2770 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6380 -29.8780 11.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 -29.6240 11.1820 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0140 -28.6250 11.3220 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0340 -27.8500 9.9840 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5420 -28.9120 11.0450 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3970 -27.1140 9.9390 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4970 -26.2050 8.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 -30.1940 13.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4570 -31.3400 14.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 836885 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 -3.6120 -28.1630 9.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -29.3710 11.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 -26.8290 9.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6450 -25.1730 8.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 -28.4400 13.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4630 -30.2900 12.4510 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8000 -29.7670 10.9210 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 -29.5450 11.2040 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1310 -28.5960 11.2130 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1610 -27.8570 9.8500 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6860 -28.8270 10.8680 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5520 -27.2310 9.5650 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5710 -26.5520 8.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 -29.6700 13.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 -30.6000 14.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 836929 OpenBabel12061010053D 22 22 0 0 0 0 0 0 0 0999 V2000 40.2860 43.3000 6.4980 P 0 0 0 0 0 0 0 0 0 0 0 0 41.4180 40.8830 7.7470 P 0 0 0 0 0 0 0 0 0 0 0 0 37.4160 49.6330 10.5970 P 0 0 0 0 0 0 0 0 0 0 0 0 40.2500 45.0090 6.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 39.0640 46.3880 8.0740 O 0 0 0 0 0 0 0 0 0 0 0 0 41.0080 42.1260 7.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 39.2410 43.0130 7.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 39.5660 43.0010 5.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 41.8720 44.3680 8.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 37.6980 48.0640 10.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 40.2560 44.6620 10.7480 O 0 0 0 0 0 0 0 0 0 0 0 0 41.1780 39.4390 7.8550 O 0 0 0 0 0 0 0 0 0 0 0 0 41.4050 41.7940 9.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 42.8750 40.8190 7.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 38.4900 50.1430 11.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 37.2700 50.5000 9.4390 O 0 0 0 0 0 0 0 0 0 0 0 0 36.1240 49.5250 11.3570 O 0 0 0 0 0 0 0 0 0 0 0 0 40.3670 46.0670 7.5940 C 0 0 1 0 0 0 0 0 0 0 0 0 41.2610 45.6930 8.7290 C 0 0 1 0 0 0 0 0 0 0 0 0 39.0990 46.2310 9.5200 C 0 0 1 0 0 0 0 0 0 0 0 0 40.4220 45.8190 9.9320 C 0 0 1 0 0 0 0 0 0 0 0 0 38.8810 47.4110 10.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 2 6 1 0 0 0 0 2 12 2 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 10 1 0 0 0 0 3 15 2 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 5 18 1 0 0 0 0 5 20 1 0 0 0 0 10 22 1 0 0 0 0 18 4 1 1 0 0 0 18 19 1 0 0 0 0 19 9 1 6 0 0 0 19 21 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 6 0 0 0 21 11 1 6 0 0 0 M END $$$$ 836953 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 55.2760 56.7500 41.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 53.3770 60.1100 42.7830 O 0 0 0 0 0 0 0 0 0 0 0 0 52.4840 58.9700 40.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 55.2840 57.5680 38.5820 O 0 0 0 0 0 0 0 0 0 0 0 0 56.5040 59.3370 45.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 54.5950 58.2260 44.6190 N 0 0 0 0 0 0 0 0 0 0 0 0 56.4020 56.3800 43.3490 N 0 0 0 0 0 0 0 0 0 0 0 0 54.8440 58.2270 43.1870 C 0 0 2 0 0 0 0 0 0 0 0 0 53.5920 58.7430 42.4690 C 0 0 2 0 0 0 0 0 0 0 0 0 53.7220 58.5830 40.9570 C 0 0 1 0 0 0 0 0 0 0 0 0 55.1760 56.7990 42.7070 C 0 0 1 0 0 0 0 0 0 0 0 0 54.0420 57.1250 40.6300 C 0 0 1 0 0 0 0 0 0 0 0 0 54.2000 56.8390 39.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 55.4550 58.7910 45.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 55.0910 58.7340 46.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 837007 OpenBabel12061010053D 9 9 0 0 0 0 0 0 0 0999 V2000 10.3290 -12.8470 24.1700 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5640 -12.1770 21.3750 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1470 -11.2930 21.1000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3920 -12.4610 23.2330 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4140 -12.6660 20.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0620 -10.6940 22.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1000 -12.8170 21.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6920 -10.9390 23.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6330 -11.3620 20.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 1 0 0 0 4 1 1 6 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 M END $$$$ 837072 OpenBabel12061010053D 11 11 0 0 0 0 0 0 0 0999 V2000 44.3930 12.3450 38.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 41.6330 12.0970 40.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 43.6600 13.8570 39.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 43.1940 9.7950 41.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 47.6860 12.2480 37.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 42.6750 11.6210 39.5770 C 0 0 1 0 0 0 0 0 0 0 0 0 43.2920 12.7930 38.8130 C 0 0 2 0 0 0 0 0 0 0 0 0 43.7520 10.9250 40.4150 C 0 0 2 0 0 0 0 0 0 0 0 0 45.4650 11.7180 38.7730 C 0 0 1 0 0 0 0 0 0 0 0 0 44.9300 10.4940 39.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 46.5690 11.3810 37.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 5 11 1 0 0 0 0 6 2 1 1 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 3 1 1 0 0 0 8 4 1 6 0 0 0 8 10 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 6 0 0 0 M END $$$$ 837074 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 27.9850 23.2530 -2.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2970 22.8610 -4.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1900 23.1080 -1.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9520 25.3360 -2.5090 O 0 0 0 0 0 0 0 0 0 0 0 0 30.3990 24.5990 -1.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 29.6940 26.5520 -2.4610 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2420 24.6670 -2.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7730 23.3300 -3.6020 C 0 0 1 0 0 0 0 0 0 0 0 0 26.6350 22.8320 -2.4300 C 0 0 1 0 0 0 0 0 0 0 0 0 25.7240 24.8770 -3.6210 C 0 0 2 0 0 0 0 0 0 0 0 0 27.0890 25.5310 -3.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5480 25.3160 -2.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 5 12 2 0 0 0 0 6 12 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 2 1 6 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 3 1 1 0 0 0 10 4 1 1 0 0 0 10 11 1 0 0 0 0 M END $$$$ 837091 OpenBabel12061010053D 23 25 0 0 0 0 0 0 0 0999 V2000 59.3690 26.4720 46.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 57.0410 29.0200 42.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 55.7430 29.8470 44.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 59.3660 32.1390 46.9720 N 0 0 0 0 0 0 0 0 0 0 0 0 58.9260 30.1450 45.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 59.4580 30.7700 47.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 58.5110 31.1240 45.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 58.7870 32.3350 45.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 58.9080 28.7250 45.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 59.9510 29.9170 48.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 59.8330 33.1740 47.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 59.3880 27.8750 46.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 57.8610 30.9550 43.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 59.9240 28.4960 48.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 61.3980 33.2550 48.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 58.4770 33.7090 45.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 56.7720 29.8850 43.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 62.3080 33.0120 47.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 61.9590 33.5630 49.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 63.6910 33.0760 47.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 63.3470 33.6310 49.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 58.9700 25.7110 45.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 64.2060 33.3860 48.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 22 1 0 0 0 0 2 17 2 0 0 0 0 3 17 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 16 1 0 0 0 0 9 12 2 0 0 0 0 10 14 2 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 13 17 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 20 23 2 0 0 0 0 21 23 1 0 0 0 0 M END $$$$ 837134 OpenBabel12061010053D 23 25 0 0 0 0 0 0 0 0999 V2000 91.5530 10.0030 30.5620 P 0 0 0 0 0 0 0 0 0 0 0 0 95.2370 8.3640 32.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 97.9240 7.5610 30.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 96.1090 9.4060 29.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 92.6840 9.5010 31.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 91.7570 11.3880 30.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 91.4280 9.1090 29.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 90.2620 9.8430 31.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 95.6370 6.0720 32.7440 N 0 0 0 0 0 0 0 0 0 0 0 0 93.9780 4.6500 33.2450 N 0 0 0 0 0 0 0 0 0 0 0 0 97.5020 4.7370 33.6510 N 0 0 0 0 0 0 0 0 0 0 0 0 96.6260 2.6770 34.5830 N 0 0 0 0 0 0 0 0 0 0 0 0 94.3900 2.0880 34.6020 N 0 0 0 0 0 0 0 0 0 0 0 0 96.1940 7.3880 32.4740 C 0 0 1 0 0 0 0 0 0 0 0 0 96.2050 4.9670 33.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 96.5350 7.4950 30.9810 C 0 0 1 0 0 0 0 0 0 0 0 0 95.6520 8.6180 30.4750 C 0 0 1 0 0 0 0 0 0 0 0 0 95.1880 9.3240 31.7090 C 0 0 1 0 0 0 0 0 0 0 0 0 95.1260 4.1490 33.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 94.3200 5.7640 32.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 95.3430 2.9570 34.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 93.9350 10.1520 31.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 97.6350 3.5720 34.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 14 1 0 0 0 0 2 18 1 0 0 0 0 5 22 1 0 0 0 0 9 15 1 0 0 0 0 9 20 1 0 0 0 0 10 19 1 0 0 0 0 10 20 2 0 0 0 0 11 15 2 0 0 0 0 11 23 1 0 0 0 0 12 21 1 0 0 0 0 12 23 2 0 0 0 0 13 21 1 0 0 0 0 14 9 1 6 0 0 0 14 16 1 0 0 0 0 15 19 1 0 0 0 0 16 3 1 1 0 0 0 16 17 1 0 0 0 0 17 4 1 1 0 0 0 17 18 1 0 0 0 0 18 22 1 6 0 0 0 19 21 2 0 0 0 0 M END $$$$ 837136 OpenBabel12061010053D 22 22 0 0 0 0 0 0 0 0999 V2000 67.1990 17.8510 62.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 69.4290 15.8620 64.6060 O 0 0 0 0 0 0 0 0 0 0 0 0 67.6220 17.0350 66.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 65.5100 17.7640 64.8990 O 0 0 0 0 0 0 0 0 0 0 0 0 65.8640 19.6490 62.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 69.2960 16.4500 60.7050 O 0 0 0 0 0 0 0 0 0 0 0 0 68.2130 16.5130 64.2600 C 0 0 1 0 0 0 0 0 0 0 0 0 67.9060 17.6110 65.2890 C 0 0 1 0 0 0 0 0 0 0 0 0 68.3720 17.1030 62.8610 C 0 0 1 0 0 0 0 0 0 0 0 0 66.7360 18.4830 64.8210 C 0 0 1 0 0 0 0 0 0 0 0 0 66.9770 18.9650 63.3880 C 0 0 1 0 0 0 0 0 0 0 0 0 68.5830 15.9770 61.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 67.3890 15.7810 64.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 68.7940 18.2530 65.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 69.2740 17.7390 62.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 66.6160 19.3710 65.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 67.8600 19.6350 63.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 67.6280 15.4560 61.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 69.2470 15.2320 62.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 70.1460 16.5000 64.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 66.8590 16.4580 66.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 65.3580 17.4960 65.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 20 1 0 0 0 0 3 8 1 0 0 0 0 3 21 1 0 0 0 0 4 10 1 0 0 0 0 4 22 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 6 0 0 0 8 10 1 0 0 0 0 8 14 1 1 0 0 0 9 12 1 0 0 0 0 9 15 1 6 0 0 0 10 11 1 0 0 0 0 10 16 1 1 0 0 0 11 17 1 6 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$ 837167 OpenBabel12061010053D 21 22 0 0 0 0 0 0 0 0999 V2000 4.7100 27.6740 15.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1040 26.2590 15.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 27.2680 14.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6790 24.0730 8.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2390 26.2750 8.9510 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5300 22.2150 9.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8020 25.9090 6.7370 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9590 26.7190 14.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4160 24.8530 12.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1730 26.0090 14.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9730 26.5030 13.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0540 24.4400 10.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3880 25.0700 13.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 25.5550 12.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7650 23.8470 11.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4360 23.5410 9.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9820 25.7920 10.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5570 25.4290 7.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2370 28.8840 15.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2670 25.4640 15.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0460 27.2610 12.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 19 1 0 0 0 0 2 10 1 0 0 0 0 2 20 1 0 0 0 0 3 11 1 0 0 0 0 3 21 1 0 0 0 0 4 16 1 0 0 0 0 4 18 2 0 0 0 0 5 17 2 0 0 0 0 5 18 1 0 0 0 0 6 16 1 0 0 0 0 7 18 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 M END $$$$ 837229 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 -4.5810 27.3990 75.7020 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 23.4200 76.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7650 25.0020 75.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 25.5070 77.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8550 27.7430 77.8520 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1180 26.0300 72.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3640 24.8090 75.7140 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4850 25.2080 74.7660 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3900 25.6600 76.9720 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4140 26.7040 74.4350 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5420 27.1290 76.6220 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4920 27.1080 73.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 837273 OpenBabel12061010053D 23 25 0 0 0 0 0 0 0 0999 V2000 31.6430 65.3500 57.0840 P 0 0 0 0 0 0 0 0 0 0 0 0 30.8080 69.3900 59.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 29.8610 70.0800 62.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5830 67.7170 61.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 31.3770 66.7320 57.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 30.5240 65.1130 56.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 32.0070 64.2110 58.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 29.5200 71.3980 58.6190 N 0 0 0 0 0 0 0 0 0 0 0 0 27.9680 72.7620 57.6750 N 0 0 0 0 0 0 0 0 0 0 0 0 31.5330 72.6700 58.0830 N 0 0 0 0 0 0 0 0 0 0 0 0 31.0250 74.7530 57.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 29.1630 75.0450 55.7650 N 0 0 0 0 0 0 0 0 0 0 0 0 30.1410 70.5400 59.6670 C 0 0 1 0 0 0 0 0 0 0 0 0 30.2070 72.4110 57.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1580 70.0230 60.7220 C 0 0 1 0 0 0 0 0 0 0 0 0 29.2770 73.1760 57.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9170 68.5550 60.3330 C 0 0 1 0 0 0 0 0 0 0 0 0 30.2500 68.1480 59.6800 C 0 0 1 0 0 0 0 0 0 0 0 0 28.1690 71.6380 58.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7870 74.3650 56.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1140 66.9810 58.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8200 73.8790 57.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1400 65.7030 56.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 1 23 1 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 5 21 1 0 0 0 0 8 14 1 0 0 0 0 8 19 1 0 0 0 0 9 16 1 0 0 0 0 9 19 2 0 0 0 0 10 14 2 0 0 0 0 10 22 1 0 0 0 0 11 20 1 0 0 0 0 11 22 2 0 0 0 0 12 20 1 0 0 0 0 13 8 1 6 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 3 1 6 0 0 0 15 17 1 0 0 0 0 16 20 2 0 0 0 0 17 4 1 1 0 0 0 17 18 1 0 0 0 0 18 21 1 6 0 0 0 M END $$$$ 837283 OpenBabel12061010053D 20 20 0 0 0 0 0 0 0 0999 V2000 106.5490 23.7800 19.1080 P 0 0 0 0 0 0 0 0 0 0 0 0 107.3340 25.0890 19.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 105.3290 23.5550 20.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 106.0490 23.8740 17.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 107.4310 22.6000 19.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 108.6010 29.8790 15.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 106.1330 29.6270 14.9180 O 0 0 0 0 0 0 0 0 0 0 0 0 107.3880 29.2840 15.4390 N 0 0 0 0 0 0 0 0 0 0 0 0 102.5080 21.2700 20.3740 N 0 3 0 0 0 0 0 0 0 0 0 0 107.3370 26.2250 18.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 107.3880 28.2420 16.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 108.5220 26.8290 17.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 106.1800 26.6650 17.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 108.5520 27.8270 17.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 106.2110 27.6670 16.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 104.4020 22.5820 19.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 103.8450 21.7850 20.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 102.6780 20.2140 19.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 101.6490 22.4260 19.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 101.8110 20.4330 21.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 2 10 1 0 0 0 0 3 16 1 0 0 0 0 6 8 2 0 0 0 0 7 8 2 0 0 0 0 8 11 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 16 17 1 0 0 0 0 M CHG 1 9 1 M END $$$$ 837314 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 13.0450 12.2270 33.6920 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4780 10.7550 29.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0970 12.5410 32.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0700 11.3240 30.3810 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 11.9630 31.4660 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5120 12.4610 32.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4540 11.9510 31.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3190 11.1750 32.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2060 13.4870 33.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3540 12.2370 33.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8100 11.1040 32.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5930 13.3970 33.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 4 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 7 1 0 0 0 0 5 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 M END $$$$ 837317 OpenBabel12061010053D 13 12 0 0 0 0 0 0 0 0999 V2000 6.3260 17.2560 34.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5710 17.6860 32.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7560 11.8640 32.1250 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7640 15.2370 35.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6110 11.6940 31.3020 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3270 10.6710 30.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1900 15.8240 34.0130 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2980 17.0070 33.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1940 14.8190 32.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2910 13.7960 33.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9030 11.4070 31.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7320 12.4340 33.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0930 11.6540 32.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 8 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 5 11 2 0 0 0 0 6 11 1 0 0 0 0 7 4 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 M END $$$$ 837330 OpenBabel12061010053D 17 18 0 0 0 0 0 0 0 0999 V2000 10.6890 14.5450 41.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8990 15.0920 46.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5880 11.6020 47.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7530 13.8310 44.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0790 11.7620 42.7580 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8780 11.8710 44.9650 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9720 13.0780 41.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2270 11.5860 40.6220 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8780 13.2770 43.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9580 12.3090 43.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9210 13.7150 41.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1040 12.9840 45.2960 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0670 12.1280 41.4530 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6250 13.7080 46.5560 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9370 12.1700 45.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8640 12.9940 47.1200 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3900 13.6890 48.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 4 9 2 0 0 0 0 5 10 2 0 0 0 0 5 13 1 0 0 0 0 6 10 1 0 0 0 0 6 15 2 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 12 4 1 1 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 8 1 6 0 0 0 14 2 1 6 0 0 0 14 16 1 0 0 0 0 16 3 1 1 0 0 0 16 17 1 0 0 0 0 M END $$$$ 837335 OpenBabel12061010053D 6 5 0 0 0 0 0 0 0 0999 V2000 6.6520 10.8610 30.0970 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8540 12.2390 31.5800 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 12.2600 32.3930 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1270 11.8970 31.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4420 10.6350 30.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2100 11.6260 29.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 4 2 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 M END $$$$ 837362 OpenBabel12061010053D 31 33 0 0 0 0 0 0 0 0999 V2000 47.4630 23.7140 8.9060 P 0 0 0 0 0 0 0 0 0 0 0 0 57.6110 21.2880 8.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 53.7360 22.8670 6.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 51.3260 18.9620 10.7670 O 0 0 0 0 0 0 0 0 0 0 0 0 49.2770 18.8330 8.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 48.4630 22.5660 8.9270 O 0 0 0 0 0 0 0 0 0 0 0 0 51.1690 21.9270 7.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 47.9980 24.8780 8.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 47.1940 23.9810 10.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 46.2520 23.2150 8.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 53.5980 18.7980 8.6370 N 0 3 0 0 0 0 0 0 0 0 0 0 56.3670 18.9750 9.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 53.6120 20.9260 7.4070 N 0 0 0 0 0 0 0 0 0 0 0 0 55.6850 22.1420 7.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 54.2430 19.9060 8.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 54.2430 17.7150 9.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 55.7280 19.9710 8.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 55.7310 17.8570 9.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 56.4220 21.1530 7.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 53.6180 16.6140 10.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 52.1160 18.7010 8.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 56.4900 16.8880 10.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 54.2690 22.0030 6.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 54.3530 15.6710 10.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 55.8350 15.8120 10.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 51.3960 19.6340 9.4960 C 0 0 1 0 0 0 0 0 0 0 0 0 49.9910 20.0450 9.0430 C 0 0 1 0 0 0 0 0 0 0 0 0 50.0820 20.9880 7.8040 C 0 0 1 0 0 0 0 0 0 0 0 0 53.5360 14.6020 11.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 56.6300 14.7930 11.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 48.8170 21.7970 7.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 19 2 0 0 0 0 3 23 2 0 0 0 0 6 31 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 19 1 0 0 0 0 14 23 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 17 19 1 0 0 0 0 18 22 2 0 0 0 0 20 24 1 0 0 0 0 22 25 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 26 21 1 6 0 0 0 26 4 1 0 0 0 0 26 27 1 0 0 0 0 27 5 1 6 0 0 0 27 28 1 0 0 0 0 28 7 1 1 0 0 0 28 31 1 0 0 0 0 M CHG 1 11 1 M END $$$$ 837427 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 24.2980 140.2680 31.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9690 137.0310 34.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4300 138.5820 34.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0480 137.8480 31.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9590 140.6250 31.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8050 141.3970 30.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0520 138.3840 33.8770 C 0 0 1 0 0 0 0 0 0 0 0 0 25.4200 138.6430 33.2190 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9310 138.6820 32.8930 C 0 0 1 0 0 0 0 0 0 0 0 0 25.4960 140.0180 32.4940 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1060 140.1300 32.4720 C 0 0 1 0 0 0 0 0 0 0 0 0 26.6590 140.0890 31.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 837436 OpenBabel12061010053D 28 30 0 0 0 0 0 0 0 0999 V2000 7.0070 16.7040 16.1520 P 0 0 0 0 0 0 0 0 0 0 0 0 5.5080 18.0520 18.4020 P 0 0 0 0 0 0 0 0 0 0 0 0 4.9550 16.0930 12.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 16.8040 15.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2820 16.8540 17.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6900 13.9160 11.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2610 12.9180 12.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4210 20.4760 8.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5640 15.3540 16.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9140 17.8540 15.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 19.2330 17.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3010 17.5230 19.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5260 18.3190 19.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7410 16.9520 11.2390 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 18.8080 11.3870 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1570 16.9930 8.8470 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1380 18.9160 7.7770 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8530 17.4270 6.5840 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0200 15.7270 11.6040 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7740 17.4950 9.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8930 14.7300 12.3360 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5480 18.6350 10.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7760 15.0740 13.4930 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8360 14.0220 13.1900 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4910 17.7950 12.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7750 19.4440 8.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8410 15.6820 14.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3760 17.7600 7.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 9 2 0 0 0 0 1 10 1 0 0 0 0 2 5 1 0 0 0 0 2 11 2 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 19 1 0 0 0 0 3 23 1 0 0 0 0 4 27 1 0 0 0 0 8 26 2 0 0 0 0 14 20 1 0 0 0 0 14 25 1 0 0 0 0 15 22 1 0 0 0 0 15 25 2 0 0 0 0 16 20 1 0 0 0 0 16 28 2 0 0 0 0 17 26 1 0 0 0 0 17 28 1 0 0 0 0 18 28 1 0 0 0 0 19 14 1 1 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 21 6 1 6 0 0 0 21 24 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 1 0 0 0 24 7 1 6 0 0 0 M END $$$$ 837449 OpenBabel12061010053D 11 10 0 0 0 0 0 0 0 0999 V2000 35.6660 4.3100 -2.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 33.9910 4.2280 1.7070 O 0 0 0 0 0 0 0 0 0 0 0 0 36.7430 6.6020 -4.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 35.7240 3.3150 0.8320 O 0 0 0 0 0 0 0 0 0 0 0 0 38.0840 7.4380 -2.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 36.0230 5.3740 -1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0060 5.4420 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9300 6.6930 -2.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9050 4.2560 0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 36.9930 6.9270 -3.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 37.4790 5.1030 -0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 9 2 0 0 0 0 3 10 2 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 M END $$$$ 837455 OpenBabel12061010053D 28 28 0 0 0 0 0 0 0 0999 V2000 -16.9480 3.0460 10.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.6140 4.7170 13.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.5410 5.3270 9.7980 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.6210 3.5980 11.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6840 4.2500 11.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5670 3.0920 11.8260 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.1720 4.9090 12.0760 C 0 0 1 0 0 0 0 0 0 0 0 0 -15.0650 4.8240 11.0220 C 0 0 1 0 0 0 0 0 0 0 0 0 -17.2830 3.8800 11.8470 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.5760 3.3910 10.8290 C 0 0 2 0 0 0 0 0 0 0 0 0 -15.7200 2.3850 10.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.6220 4.5570 11.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2740 3.1970 11.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5810 1.8400 11.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6030 5.9100 12.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2290 5.4530 11.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3810 3.2620 12.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0790 3.2890 9.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7100 1.8780 11.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.5490 5.2010 10.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.9400 5.1710 12.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8240 2.8150 12.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1000 5.2700 13.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9530 6.1590 9.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.3500 4.0590 10.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0950 1.1010 11.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5970 1.5080 10.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5450 1.9190 11.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 23 1 0 0 0 0 3 8 1 0 0 0 0 3 24 1 0 0 0 0 4 12 1 0 0 0 0 4 25 1 0 0 0 0 5 13 2 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 6 0 0 0 8 10 1 0 0 0 0 8 16 1 1 0 0 0 9 12 1 0 0 0 0 9 17 1 1 0 0 0 10 11 1 0 0 0 0 10 18 1 6 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 M RAD 1 11 2 M END $$$$ 837458 OpenBabel12061010053D 9 8 0 0 0 0 0 0 0 0999 V2000 18.2180 3.3090 50.8670 P 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 4.5640 51.3310 P 0 0 0 0 0 0 0 0 0 0 0 0 19.5820 3.9460 50.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3810 1.8250 50.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1650 5.4620 52.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1860 3.8750 49.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7520 3.7530 52.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7110 5.2850 50.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4160 3.2630 51.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 M END $$$$ 837461 OpenBabel12061010053D 17 16 0 0 0 0 0 0 0 0999 V2000 21.6650 7.6970 30.3640 P 0 0 0 0 0 0 0 0 0 0 0 0 20.5830 7.2230 31.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6130 7.5610 29.4260 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2480 7.0310 30.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3950 6.4480 29.8080 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6730 8.6160 31.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9860 8.4650 29.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7000 7.8290 32.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8000 10.6350 30.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6450 9.4650 27.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8470 8.4940 28.4570 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4020 8.2790 30.6280 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8730 8.2700 30.9790 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2880 7.6110 31.6950 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0760 9.4200 30.2810 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6740 8.2170 31.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8400 9.1000 28.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 16 1 0 0 0 0 10 17 2 0 0 0 0 11 17 1 0 0 0 0 12 3 1 1 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 4 1 6 0 0 0 13 15 1 0 0 0 0 14 8 1 1 0 0 0 14 16 1 0 0 0 0 15 9 1 6 0 0 0 15 17 1 0 0 0 0 M END $$$$ 837479 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 18.8930 43.8540 79.6650 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1450 47.9560 79.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7320 46.2820 77.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5100 43.2430 79.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9000 47.7140 81.9310 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5720 46.7400 79.9220 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7770 43.9530 80.7540 N 0 0 0 0 0 0 0 0 0 0 0 0 17.8400 46.0330 79.9750 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7770 46.6360 78.9150 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0450 45.8080 78.7240 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6280 44.5270 79.7230 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7090 44.3130 78.5600 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9500 43.4370 78.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2150 47.5480 80.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8830 48.2720 80.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 837489 OpenBabel12061010053D 14 14 0 0 0 0 0 0 0 0999 V2000 5.3150 7.1050 5.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 7.1790 5.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 8.6820 7.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 10.3030 5.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 6.8700 5.7630 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 6.0560 0.8280 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 7.9770 5.1460 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3090 6.5720 5.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 7.5070 4.2370 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5840 5.7230 6.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7330 9.0050 6.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0180 5.3420 6.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 6.2750 3.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 6.6920 1.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 3 11 2 0 0 0 0 4 11 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 14 1 0 0 0 0 7 5 1 1 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 9 2 1 1 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 M END $$$$ 837495 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 -3.4670 4.4350 3.7190 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2470 4.0250 5.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 5.5010 6.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7080 7.0200 4.7940 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7340 5.1100 4.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9370 4.9710 4.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2270 4.7940 5.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1600 5.8420 4.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4160 4.9550 4.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6950 5.7910 4.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 7 2 0 0 0 0 3 7 1 0 0 0 0 4 10 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 M END $$$$ 837524 OpenBabel12061010053D 10 9 0 0 0 0 0 0 0 0999 V2000 42.0990 43.1120 0.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 44.0760 42.3450 0.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 40.4740 42.5340 3.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 40.4350 40.5660 2.4530 O 0 0 0 0 0 0 0 0 0 0 0 0 43.1310 44.6510 2.5630 N 0 0 0 0 0 0 0 0 0 0 0 0 42.7310 43.2150 2.5530 C 0 0 1 0 0 0 0 0 0 0 0 0 42.9430 42.7620 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 43.3210 42.2690 3.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 42.2560 41.2060 3.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 41.0200 41.4920 3.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 7 1 0 0 0 0 3 10 2 0 0 0 0 4 10 1 0 0 0 0 6 5 1 6 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 M END $$$$ 837538 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 14.1470 1.7740 24.3190 P 0 0 0 0 0 0 0 0 0 0 0 0 13.3710 1.2180 23.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3760 0.1410 17.4680 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8990 0.9130 25.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6940 3.2060 24.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6210 1.7770 23.9550 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3330 -1.9370 19.7210 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5710 2.3120 19.3810 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4910 -0.4320 21.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0710 0.0680 19.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7650 -0.4120 18.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8620 -1.4600 18.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8470 0.0900 22.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6020 -1.4910 20.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0360 1.2300 20.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4860 -2.0420 17.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 M END $$$$ 837559 OpenBabel12061010053D 16 15 0 0 0 0 0 0 0 0999 V2000 57.1660 123.6630 24.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 57.2050 124.6000 25.1130 N 0 3 0 0 0 0 0 0 0 0 0 0 57.4780 124.2480 26.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 56.3900 123.3500 27.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 56.7620 121.8500 27.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 58.1440 125.5880 24.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 56.0140 125.4180 24.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 56.0280 121.1850 28.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 56.6590 119.8760 28.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 55.7380 119.4160 29.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 56.4780 118.3740 30.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 55.5480 117.9170 31.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 56.5000 117.4160 32.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 56.7350 118.4810 34.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 58.2300 118.4490 34.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 58.6660 119.7770 34.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 M CHG 1 2 1 M END $$$$ 837735 OpenBabel12061010053D 11 11 0 0 0 0 0 0 0 0999 V2000 -0.6470 29.0100 12.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 26.5350 12.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 27.7750 12.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 26.6180 11.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2690 27.6790 13.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 25.3950 12.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 26.4520 13.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 25.3250 13.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 25.7460 12.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 26.2780 10.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1530 26.4090 14.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 2 0 0 0 0 3 5 2 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 M END $$$$ 837813 OpenBabel12061010053D 21 22 0 0 0 0 0 0 0 0999 V2000 14.4600 71.2080 26.1790 P 0 0 0 0 0 0 0 0 0 0 0 0 14.8210 76.1750 24.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6400 72.7730 26.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8030 76.2360 27.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3920 79.8470 24.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2720 78.9570 20.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9910 71.0270 26.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3100 70.4880 27.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9700 70.9730 24.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3570 77.7570 24.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3400 79.3940 22.3630 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8990 77.1800 25.2290 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6820 75.1190 25.8810 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8920 75.6440 27.0650 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0200 76.7210 26.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7600 79.0580 23.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6750 76.8800 23.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2790 77.2120 21.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2460 73.7340 25.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6370 78.5670 21.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5240 76.3050 21.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 19 1 0 0 0 0 5 16 2 0 0 0 0 6 20 2 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 16 1 0 0 0 0 11 20 1 0 0 0 0 12 10 1 6 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 6 0 0 0 14 4 1 6 0 0 0 14 15 1 0 0 0 0 17 18 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 M END $$$$ 837848 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 31.0400 52.7310 -37.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 35.2350 52.4240 -37.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 33.5600 54.9600 -36.9390 O 0 0 0 0 0 0 0 0 0 0 0 0 31.3540 55.5080 -38.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 33.6870 48.7720 -35.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 32.9110 50.6500 -35.7610 N 0 0 0 0 0 0 0 0 0 0 0 0 30.7880 50.4020 -37.3810 N 0 0 0 0 0 0 0 0 0 0 0 0 33.0550 51.2350 -37.1650 C 0 0 2 0 0 0 0 0 0 0 0 0 33.8930 52.4710 -36.8600 C 0 0 2 0 0 0 0 0 0 0 0 0 33.2010 53.7150 -37.3450 C 0 0 1 0 0 0 0 0 0 0 0 0 31.6950 51.4950 -37.7470 C 0 0 2 0 0 0 0 0 0 0 0 0 31.7780 53.6500 -36.7010 C 0 0 1 0 0 0 0 0 0 0 0 0 31.1930 55.0410 -36.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8930 49.8440 -35.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1360 50.2330 -34.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 837869 OpenBabel12061010053D 28 31 0 0 0 0 0 0 0 0999 V2000 4.8430 -8.9610 86.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0600 -3.3980 84.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7740 -13.4650 82.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3460 -15.3470 83.6050 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 -9.5390 86.0410 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3580 -8.7620 84.7180 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9990 -6.5870 85.8190 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9340 -7.2900 84.9280 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5850 -5.0840 86.0690 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5650 -8.8710 86.9490 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9050 -10.9280 85.4540 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1540 -7.3820 87.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 -4.3440 84.6980 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5160 -9.6960 83.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -6.5480 83.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 -11.1160 84.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 -4.3150 86.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -5.0580 83.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9670 -12.1840 86.3930 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1750 -9.6210 86.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8190 -4.1930 83.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -5.0520 86.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8530 -3.5000 84.8780 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0010 -4.2480 86.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3490 -13.4460 85.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9770 -12.0060 87.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 -13.4130 84.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -14.0450 83.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 3 28 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 20 1 1 0 0 0 6 8 1 0 0 0 0 6 14 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 1 0 0 0 8 15 1 6 0 0 0 9 13 1 0 0 0 0 9 17 1 0 0 0 0 9 22 1 1 0 0 0 10 1 1 6 0 0 0 10 12 1 0 0 0 0 11 16 1 1 0 0 0 11 19 1 0 0 0 0 13 18 1 6 0 0 0 13 21 1 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 17 24 1 0 0 0 0 19 25 1 6 0 0 0 19 26 1 0 0 0 0 21 23 1 0 0 0 0 23 2 1 6 0 0 0 23 24 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 M END $$$$ 837937 OpenBabel12061010053D 21 24 0 0 0 0 0 0 0 0999 V2000 7.5590 70.9960 69.9580 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9600 69.5810 65.3080 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 69.4300 66.4690 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6220 69.1100 64.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9740 69.1970 64.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2270 69.5120 66.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2480 69.9120 67.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6210 68.6010 63.7080 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5680 69.9490 66.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5260 67.8790 62.2450 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5190 68.7830 62.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1710 68.5550 62.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 67.1800 64.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9130 70.3030 68.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6700 70.2770 67.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 66.0880 63.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2820 66.4040 62.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3770 70.6350 68.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9340 70.6290 69.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 64.6360 64.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3940 63.6180 64.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 5 1 0 0 0 0 2 9 2 0 0 0 0 3 6 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 4 1 6 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 1 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 13 16 2 0 0 0 0 14 19 2 0 0 0 0 15 18 2 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 M END $$$$ 837966 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 21.6140 131.9660 60.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0030 134.2350 63.2510 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0450 132.5090 61.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6670 129.9850 59.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2160 135.5970 64.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5380 133.5110 64.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 23.6140 132.3090 62.5000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.1490 133.4340 62.9830 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6940 133.0910 62.7960 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4340 132.8170 61.2980 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8410 132.3200 62.2860 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2330 131.5890 60.8100 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0350 131.2120 59.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9960 134.6580 64.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1940 134.6790 66.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 837986 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 21.5790 131.9340 60.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9930 134.2550 63.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0110 132.4850 61.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6350 129.9400 59.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2360 135.6150 64.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5200 133.5610 64.3460 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5720 132.3580 62.3720 N 0 0 0 0 0 0 0 0 0 0 0 0 21.1360 133.4100 62.9170 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6730 133.0800 62.7660 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4130 132.7830 61.2770 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7810 132.2230 62.2770 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1930 131.5540 60.7750 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9850 131.1790 59.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0060 134.7290 64.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2360 134.8190 66.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 837988 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 33.6170 121.0170 11.9930 O 0 0 0 0 0 0 0 0 0 0 0 0 37.3280 120.3560 10.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 35.5470 122.2990 9.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 35.5600 118.7850 11.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 34.4990 119.9960 13.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 32.1690 120.9970 9.4610 O 0 0 0 0 0 0 0 0 0 0 0 0 36.2400 120.9220 10.8970 C 0 0 1 0 0 0 0 0 0 0 0 0 35.0710 121.3530 10.0450 C 0 0 1 0 0 0 0 0 0 0 0 0 35.8830 120.1150 12.0480 C 0 0 1 0 0 0 0 0 0 0 0 0 33.9150 121.9740 10.9320 C 0 0 1 0 0 0 0 0 0 0 0 0 34.7900 120.7760 12.8260 C 0 0 1 0 0 0 0 0 0 0 0 0 32.5730 122.1970 10.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 837994 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 33.6520 121.0750 11.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 37.3760 120.5690 9.9870 O 0 0 0 0 0 0 0 0 0 0 0 0 35.4310 122.1830 8.9180 O 0 0 0 0 0 0 0 0 0 0 0 0 35.5500 118.7820 11.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 34.4650 120.0010 13.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 32.3190 121.0880 9.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 36.2280 120.8970 10.7810 C 0 0 1 0 0 0 0 0 0 0 0 0 35.0270 121.3210 9.9720 C 0 0 1 0 0 0 0 0 0 0 0 0 35.9120 120.1130 11.9510 C 0 0 1 0 0 0 0 0 0 0 0 0 33.9880 122.0720 10.9210 C 0 0 1 0 0 0 0 0 0 0 0 0 34.8330 120.7770 12.7530 C 0 0 1 0 0 0 0 0 0 0 0 0 32.6310 122.3410 10.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 838008 OpenBabel12061010053D 13 12 0 0 0 0 0 0 0 0999 V2000 29.3370 11.7300 36.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 29.6730 13.6630 36.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1000 12.5740 36.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6030 12.2410 36.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3190 13.0150 37.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7920 14.3030 37.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9160 14.9890 37.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2630 14.7480 37.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5600 15.7500 36.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 37.0490 16.0140 35.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 37.5560 15.6990 34.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0160 16.0960 34.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 39.5290 15.8170 32.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 M END $$$$ 838009 OpenBabel12061010053D 15 14 0 0 0 0 0 0 0 0999 V2000 29.1030 11.8500 36.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 29.9520 13.7550 35.9250 O 0 0 0 0 0 0 0 0 0 0 0 0 30.0760 12.6050 36.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4720 12.0980 36.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7090 12.2130 38.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1800 12.5480 38.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4260 14.0550 38.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3250 14.4630 37.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 34.5670 15.9680 37.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8960 16.2810 36.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7980 16.1690 35.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7430 15.1330 34.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6940 15.7820 33.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 37.4980 15.3620 31.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 36.1160 14.8210 31.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 M END $$$$ 838059 OpenBabel12061010053D 5 4 0 0 0 0 0 0 0 0999 V2000 40.0270 39.4000 84.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 39.1650 37.7680 82.9660 N 0 0 0 0 0 0 0 0 0 0 0 0 41.2010 37.6670 86.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 39.8330 38.1960 84.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 40.3820 37.1260 84.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 M END $$$$ 838083 OpenBabel12061010053D 23 24 0 0 0 0 0 0 0 0999 V2000 13.3170 70.6580 26.6180 P 0 0 0 0 0 0 0 0 0 0 0 0 14.5570 75.4470 25.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8360 72.1580 26.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2040 78.8940 24.4520 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0120 78.1100 20.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3870 69.9290 27.8930 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9770 70.7830 25.9820 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4300 70.2170 25.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1160 76.8820 24.1010 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1140 78.5420 22.4640 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3540 75.5630 28.3400 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8420 75.4440 29.4540 N 0 3 0 0 0 0 0 0 0 0 0 0 13.6070 75.5420 30.5750 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5850 76.4400 25.4080 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4420 74.4170 26.1530 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5430 74.9120 27.2460 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6300 75.9290 26.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5410 78.1660 23.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3990 75.9750 23.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9870 76.3340 22.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9840 73.0100 25.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3710 77.6840 21.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1700 75.4560 21.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 21 1 0 0 0 0 4 18 2 0 0 0 0 5 22 2 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 18 1 0 0 0 0 10 22 1 0 0 0 0 11 12 2 0 0 0 0 12 13 2 0 0 0 0 14 9 1 6 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 6 0 0 0 16 11 1 6 0 0 0 16 17 1 0 0 0 0 19 20 2 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 M CHG 1 12 1 M END $$$$ 838086 OpenBabel12061010053D 21 22 0 0 0 0 0 0 0 0999 V2000 12.4980 72.0910 26.5440 P 0 0 0 0 0 0 0 0 0 0 0 0 14.5570 76.0980 24.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2840 73.2280 25.7380 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2220 76.4860 27.9930 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3240 79.7990 24.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1400 79.0220 20.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2340 72.5700 27.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3290 71.7940 25.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6420 70.9540 26.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2430 77.7450 23.8920 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2620 79.4110 22.2910 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6440 77.1470 25.1420 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6070 75.2280 25.9960 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5690 75.6810 27.0170 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6570 76.5960 26.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6680 79.0720 23.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5060 76.9020 23.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1230 77.2250 21.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6260 73.6970 25.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5000 78.6260 21.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3190 76.4410 20.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 7 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 19 1 0 0 0 0 5 16 2 0 0 0 0 6 20 2 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 16 1 0 0 0 0 11 20 1 0 0 0 0 12 10 1 6 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 6 0 0 0 14 4 1 6 0 0 0 14 15 1 0 0 0 0 17 18 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 M END $$$$ 838157 OpenBabel12061010053D 14 14 0 0 0 0 0 0 0 0999 V2000 26.9850 32.6400 202.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8410 33.7350 201.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1030 32.7940 198.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5680 31.1450 201.6150 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0380 33.2350 201.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 25.8290 34.3900 199.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8710 33.7700 200.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9260 33.8550 198.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6490 35.4940 198.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8300 34.3930 196.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5340 36.0160 197.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6360 35.4690 196.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8610 31.5310 202.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7490 30.9480 203.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 13 1 0 0 0 0 2 7 2 0 0 0 0 3 8 1 0 0 0 0 4 13 2 0 0 0 0 5 7 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 M END $$$$ 838167 OpenBabel12061010053D 13 12 0 0 0 0 0 0 0 0999 V2000 -22.2080 -19.1970 -7.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.1770 -20.7540 -6.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 -22.2250 -19.9340 -4.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.0940 -19.6250 -4.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 -24.1200 -21.5690 -5.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 -22.8340 -22.7020 -6.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.0270 -17.2070 -3.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.5540 -17.8330 -4.9460 N 0 0 0 0 0 0 0 0 0 0 0 0 -21.2910 -20.0330 -6.5410 C 0 0 1 0 0 0 0 0 0 0 0 0 -19.8150 -19.5650 -6.5680 C 0 0 1 0 0 0 0 0 0 0 0 0 -21.8720 -20.8090 -5.3500 C 0 0 2 0 0 0 0 0 0 0 0 0 -19.1490 -19.0100 -5.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.0090 -21.7500 -5.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 4 12 2 0 0 0 0 5 13 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 8 12 1 0 0 0 0 9 1 1 1 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 2 1 1 0 0 0 10 12 1 0 0 0 0 11 3 1 6 0 0 0 11 13 1 0 0 0 0 M END $$$$ 838183 OpenBabel12061010053D 16 16 0 0 0 0 0 0 0 0999 V2000 13.5480 43.3350 16.8780 I 0 0 0 0 0 0 0 0 0 0 0 0 7.5840 45.2690 18.7380 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2740 44.9040 16.6860 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3880 47.1330 22.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9800 46.5350 22.1490 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8610 48.4160 22.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3050 46.1410 20.4340 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3050 45.6950 19.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9230 45.1170 18.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8430 44.4600 17.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4980 45.1410 17.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6470 45.7120 20.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3470 46.8620 21.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1680 44.4300 18.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5790 45.0950 19.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9330 47.2590 22.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 11 2 0 0 0 0 3 11 1 0 0 0 0 4 13 2 0 0 0 0 5 16 2 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 14 2 0 0 0 0 12 15 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 M END $$$$ 838212 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 19.9900 -24.0590 22.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2110 -26.2840 24.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1800 -23.7920 24.8080 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2630 -27.5760 23.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8990 -25.8430 21.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3510 -21.6060 21.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8570 -25.7360 23.5130 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7390 -24.2250 23.5410 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3150 -26.1830 23.5090 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6170 -23.6840 22.3880 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2110 -25.4660 22.4780 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5270 -22.1290 22.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 6 0 0 0 M END $$$$ 838236 OpenBabel12061010053D 19 20 0 0 0 0 0 0 0 0999 V2000 -19.4400 18.6730 15.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.2140 20.0540 13.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.9620 22.1900 15.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.1110 22.1180 15.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.1420 19.6060 16.7950 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.3910 16.2450 14.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 -24.1220 17.1530 10.7620 N 0 0 0 0 0 0 0 0 0 0 0 0 -20.1010 19.8860 14.9840 C 0 0 2 0 0 0 0 0 0 0 0 0 -19.3150 21.0380 15.6020 C 0 0 1 0 0 0 0 0 0 0 0 0 -17.8880 21.1030 15.1370 C 0 0 2 0 0 0 0 0 0 0 0 0 -17.2380 19.7730 15.3920 C 0 0 2 0 0 0 0 0 0 0 0 0 -18.0790 18.6550 14.7060 C 0 0 1 0 0 0 0 0 0 0 0 0 -21.1930 19.3230 12.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4680 17.2460 14.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.8260 18.2710 11.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.5420 19.6420 12.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.1490 17.8910 11.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.7940 17.5520 11.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.5210 18.9330 12.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 13 1 0 0 0 0 6 14 1 0 0 0 0 7 17 1 0 0 0 0 8 2 1 6 0 0 0 8 9 1 0 0 0 0 9 3 1 6 0 0 0 9 10 1 0 0 0 0 10 4 1 1 0 0 0 10 11 1 0 0 0 0 11 5 1 1 0 0 0 11 12 1 0 0 0 0 12 14 1 1 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 M END $$$$ 838256 OpenBabel12061010053D 20 22 0 0 0 0 0 0 0 0999 V2000 29.3090 20.2220 -2.2230 S 0 0 0 0 0 0 0 0 0 0 0 0 27.7050 23.8010 -3.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3540 23.6280 -6.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0240 21.1730 -5.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7730 25.8020 -4.5280 N 0 0 0 0 0 0 0 0 0 0 0 0 28.5760 27.9030 -4.2650 N 0 0 0 0 0 0 0 0 0 0 0 0 25.3710 26.3610 -4.6000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.8780 28.6880 -4.3750 N 0 0 0 0 0 0 0 0 0 0 0 0 26.5300 30.3080 -4.1110 N 0 0 0 0 0 0 0 0 0 0 0 0 27.6140 24.3400 -4.6780 C 0 0 1 0 0 0 0 0 0 0 0 0 26.6910 26.6740 -4.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7240 23.6100 -5.4490 C 0 0 1 0 0 0 0 0 0 0 0 0 27.1840 27.9960 -4.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6700 22.2010 -4.8430 C 0 0 1 0 0 0 0 0 0 0 0 0 28.0340 22.4260 -3.4460 C 0 0 1 0 0 0 0 0 0 0 0 0 28.8640 26.5930 -4.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2080 28.9960 -4.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8770 21.9850 -2.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4960 27.3950 -4.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7950 19.4720 -1.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 20 1 0 0 0 0 2 10 1 0 0 0 0 2 15 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 6 13 1 0 0 0 0 6 16 2 0 0 0 0 7 11 2 0 0 0 0 7 19 1 0 0 0 0 8 17 1 0 0 0 0 8 19 2 0 0 0 0 9 17 1 0 0 0 0 10 5 1 1 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 3 1 6 0 0 0 12 14 1 0 0 0 0 13 17 2 0 0 0 0 14 4 1 6 0 0 0 14 15 1 0 0 0 0 15 18 1 6 0 0 0 M END $$$$ 838270 OpenBabel12061010053D 5 4 0 0 0 0 0 0 0 0999 V2000 77.0460 2.2860 168.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 77.2850 3.6510 166.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 78.3230 2.3910 167.8990 C 0 0 2 0 0 0 0 0 0 0 0 0 78.1340 2.5810 166.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 79.1950 1.1390 168.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 6 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 M END $$$$ 838277 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 41.2050 -11.7630 40.7930 O 0 0 0 0 0 0 0 0 0 0 0 0 41.9010 -15.5450 42.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 43.2020 -14.7220 39.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 43.6540 -12.7130 38.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 39.4170 -12.9840 45.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 41.4450 -13.2370 44.1940 N 0 0 0 0 0 0 0 0 0 0 0 0 42.0130 -10.9790 42.9300 N 0 0 0 0 0 0 0 0 0 0 0 0 41.1380 -13.2860 42.7770 C 0 0 2 0 0 0 0 0 0 0 0 0 42.1820 -14.1800 42.0690 C 0 0 2 0 0 0 0 0 0 0 0 0 42.1590 -13.9750 40.5600 C 0 0 1 0 0 0 0 0 0 0 0 0 41.0750 -11.8380 42.2340 C 0 0 2 0 0 0 0 0 0 0 0 0 42.3400 -12.4930 40.2760 C 0 0 1 0 0 0 0 0 0 0 0 0 42.4380 -12.2040 38.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 40.5190 -13.5460 45.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 40.8680 -14.6490 46.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 838304 OpenBabel12061010053D 7 6 0 0 0 0 0 0 0 0999 V2000 11.7930 -0.7450 23.3600 P 0 0 0 0 0 0 0 0 0 0 0 0 11.8220 0.3840 22.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6000 -2.0460 22.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7220 -0.5000 24.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6040 0.1590 24.8840 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2180 -1.7100 23.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3590 -0.7590 24.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 5 7 2 0 0 0 0 6 7 1 0 0 0 0 M END $$$$ 838311 OpenBabel12061010053D 76 79 0 0 0 0 0 0 0 0999 V2000 -5.0960 -2.9960 -6.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2230 0.5660 -5.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -3.2690 -6.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9930 1.2200 -7.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.0080 3.3550 -10.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8470 2.7660 -10.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6750 0.1660 -9.4070 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1090 -1.1950 -4.8890 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9100 -0.2500 -5.1880 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7500 -0.3280 -4.1880 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2360 -1.7990 -4.1370 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0360 -1.9680 -3.1350 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.0450 -0.7690 -6.0700 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5600 -2.6380 -4.8940 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3940 -2.8020 -3.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -0.9980 -3.5480 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5520 1.1100 -5.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6120 0.6620 -4.5340 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8940 0.7770 -6.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 0.4630 -3.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 -3.4230 -3.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7820 -0.9020 -3.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5310 -1.2350 -6.1230 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1660 -1.4470 -4.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4630 -1.6410 -1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 -3.8380 -4.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -2.8980 -4.7870 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.3000 -0.4690 -7.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6450 -2.7430 -6.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7720 -0.8500 -7.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5480 0.2680 -8.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5740 1.0390 -10.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0240 2.4460 -10.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4930 -0.5550 -6.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1300 -0.0480 -3.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 -2.0260 -5.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5860 -1.1260 -6.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3370 -3.3550 -4.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0140 -3.8230 -4.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7750 -2.7160 -2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -1.0140 -2.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7040 1.6430 -4.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9510 1.7560 -6.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9660 1.6890 -4.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9120 1.1560 -7.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6980 1.2640 -5.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 1.0770 -4.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 0.8500 -2.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 -4.1440 -2.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 -3.5120 -2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6100 -1.5900 -3.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0970 -0.9900 -2.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2020 0.1040 -3.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0130 -1.0010 -5.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -0.7950 -5.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 -1.3300 -5.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2590 -2.3030 -1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6210 -1.7540 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8280 -0.6190 -1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 -4.8610 -4.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 -3.8680 -5.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 -3.0060 -4.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6980 -3.8800 -6.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2530 0.6020 -7.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8000 -0.6150 -8.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9430 0.9440 -6.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6900 -3.0690 -6.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1920 -3.0260 -7.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1610 -3.3190 -5.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 -2.7930 -6.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8730 -1.7710 -7.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2320 -1.0240 -6.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3570 -0.6770 -9.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5150 1.1060 -9.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7580 0.5860 -11.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5810 4.2470 -10.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 63 1 0 0 0 0 2 18 1 0 0 0 0 2 66 1 0 0 0 0 3 27 1 0 0 0 0 3 70 1 0 0 0 0 4 31 2 0 0 0 0 5 33 1 0 0 0 0 5 76 1 0 0 0 0 6 33 2 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 7 73 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 22 1 1 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 34 1 6 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 35 1 1 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 36 1 6 0 0 0 12 16 1 0 0 0 0 12 21 1 0 0 0 0 12 25 1 1 0 0 0 13 19 1 0 0 0 0 13 23 1 0 0 0 0 13 37 1 6 0 0 0 14 15 1 0 0 0 0 14 38 1 1 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 20 1 0 0 0 0 16 24 1 0 0 0 0 16 41 1 1 0 0 0 17 19 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 20 1 0 0 0 0 18 44 1 1 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 26 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 28 1 0 0 0 0 23 29 1 0 0 0 0 23 54 1 1 0 0 0 24 27 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 62 1 1 0 0 0 28 30 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 30 31 1 0 0 0 0 30 71 1 0 0 0 0 30 72 1 0 0 0 0 32 33 1 0 0 0 0 32 74 1 0 0 0 0 32 75 1 0 0 0 0 M END $$$$ 838319 OpenBabel12061010053D 29 31 0 0 0 0 0 0 0 0999 V2000 4.4390 -7.5840 21.8950 P 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 -7.6450 22.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.3480 -10.6730 23.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 -8.3380 23.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4220 -11.4940 26.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9920 -6.8950 21.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6640 -9.3920 26.6690 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1920 -7.3670 23.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7420 -8.5480 20.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4810 -6.5260 21.8810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -6.7960 21.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 -8.9580 21.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 -7.8360 23.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2840 -9.6000 24.0620 N 0 3 0 0 0 0 0 0 0 0 0 0 9.1210 -8.0050 22.8430 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2480 -10.3900 25.3410 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1890 -9.1250 24.7630 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2890 -10.8220 26.3220 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4590 -10.6160 24.7600 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6090 -9.5600 24.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3020 -8.5220 23.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8350 -10.2790 26.1040 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1090 -10.3780 24.4890 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6060 -9.4870 25.5900 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0200 -8.6520 23.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5670 -8.2720 23.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5710 -10.1230 25.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -9.7410 23.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2290 -6.9120 21.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 9 2 0 0 0 0 1 10 1 0 0 0 0 2 6 1 0 0 0 0 2 11 2 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 19 1 0 0 0 0 3 23 1 0 0 0 0 4 28 1 0 0 0 0 8 26 2 0 0 0 0 14 20 1 0 0 0 0 14 25 2 0 0 0 0 15 21 1 0 0 0 0 15 25 1 0 0 0 0 15 29 1 0 0 0 0 16 20 1 0 0 0 0 16 27 2 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 18 27 1 0 0 0 0 19 14 1 6 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 21 26 1 0 0 0 0 22 5 1 6 0 0 0 22 24 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 6 0 0 0 24 7 1 1 0 0 0 M CHG 1 14 1 M END $$$$ 838322 OpenBabel12061010053D 31 33 0 0 0 0 0 0 0 0999 V2000 26.7810 33.4510 40.9230 P 0 0 0 0 0 0 0 0 0 0 0 0 32.4230 31.3740 31.7050 O 0 0 0 0 0 0 0 0 0 0 0 0 30.6250 29.1380 35.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 31.7800 34.5290 37.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 31.7560 31.5760 40.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2630 33.9510 40.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 30.6900 33.5140 41.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1650 33.1870 39.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8260 32.2370 41.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1220 34.6570 41.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 33.3900 32.7190 36.2630 N 0 3 0 0 0 0 0 0 0 0 0 0 33.7630 33.1190 33.4690 N 0 0 0 0 0 0 0 0 0 0 0 0 31.9660 30.8750 35.7870 N 0 0 0 0 0 0 0 0 0 0 0 0 31.5400 30.2750 33.4720 N 0 0 0 0 0 0 0 0 0 0 0 0 32.7500 31.8680 35.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2410 33.7870 35.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9860 32.1360 33.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3820 33.9330 34.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3120 31.2540 32.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9310 34.6880 36.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2100 32.5280 37.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2430 35.0180 33.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3400 30.0480 34.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7510 35.7210 36.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8980 35.8750 34.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9060 33.1510 38.2480 C 0 0 1 0 0 0 0 0 0 0 0 0 31.8190 32.9970 39.7910 C 0 0 1 0 0 0 0 0 0 0 0 0 30.6310 33.7010 40.4380 C 0 0 1 0 0 0 0 0 0 0 0 0 36.4590 36.6460 37.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7920 37.0000 34.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2700 33.1830 40.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 19 2 0 0 0 0 3 23 2 0 0 0 0 6 31 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 19 1 0 0 0 0 14 23 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 17 19 1 0 0 0 0 18 22 2 0 0 0 0 20 24 1 0 0 0 0 22 25 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 26 21 1 1 0 0 0 26 4 1 0 0 0 0 26 27 1 0 0 0 0 27 5 1 6 0 0 0 27 28 1 0 0 0 0 28 7 1 1 0 0 0 28 31 1 0 0 0 0 M CHG 1 11 1 M END $$$$ 838324 OpenBabel12061010053D 20 20 0 0 0 0 0 0 0 0999 V2000 104.5970 79.8660 85.1550 P 0 0 0 0 0 0 0 0 0 0 0 0 105.4620 80.1170 86.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 106.9980 81.5810 91.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 103.8850 80.7680 84.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 105.4710 79.1940 84.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 103.6480 78.9460 85.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 104.8990 78.6640 93.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 103.0140 77.8630 92.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 108.6700 83.2750 88.6020 N 0 0 0 0 0 0 0 0 0 0 0 0 105.1380 80.0850 90.4180 N 0 0 0 0 0 0 0 0 0 0 0 0 106.7370 81.1990 89.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 107.1470 81.5890 87.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 107.3790 81.9450 90.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 108.3730 83.0050 89.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 108.1330 82.6480 87.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 106.6260 80.9720 86.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 105.8310 80.2170 89.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 109.0450 83.7760 91.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 104.1840 79.0910 90.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 104.0260 78.5050 92.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 16 1 0 0 0 0 3 13 1 0 0 0 0 7 20 2 0 0 0 0 8 20 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 17 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 17 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 18 1 0 0 0 0 19 20 1 0 0 0 0 M END $$$$ 838335 OpenBabel12061010053D 14 13 0 0 0 0 0 0 0 0999 V2000 38.6730 69.3900 63.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 37.1750 70.3890 64.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 38.4040 70.0350 64.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 39.5810 70.4120 65.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 40.3800 69.1960 65.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 39.5700 68.3370 66.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 40.1740 66.9440 67.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 39.3760 66.1370 68.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 39.8460 66.3980 69.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 41.1440 65.6630 69.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 41.6330 65.9110 71.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 42.5940 64.8170 71.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 43.9620 64.9240 70.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 44.8260 66.0610 71.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 M END $$$$ 838389 OpenBabel12061010053D 21 21 0 0 0 0 0 0 0 0999 V2000 -55.7470 -7.5700 -23.2800 P 0 0 0 0 0 0 0 0 0 0 0 0 -57.0340 -8.4890 -23.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 -60.9090 -12.5500 -24.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 -55.1800 -7.2270 -24.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 -56.1190 -6.3280 -22.5090 O 0 0 0 0 0 0 0 0 0 0 0 0 -54.8300 -8.4510 -22.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 -63.4030 -11.6050 -21.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 -63.5430 -10.6000 -19.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 -58.5760 -11.3640 -26.7940 N 0 0 0 0 0 0 0 0 0 0 0 0 -61.1310 -10.4510 -22.5250 N 0 0 0 0 0 0 0 0 0 0 0 0 -59.4530 -10.5220 -24.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -58.4770 -9.7340 -24.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -59.9990 -11.7930 -24.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -59.5300 -12.1940 -26.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -58.0540 -10.1870 -26.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -57.8860 -8.3780 -24.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -59.8790 -10.1140 -22.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -61.7980 -10.0260 -21.4240 C 0 0 2 0 0 0 0 0 0 0 0 0 -59.9940 -13.4020 -26.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -62.9300 -10.7700 -21.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -61.4420 -8.9020 -20.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 16 1 0 0 0 0 3 13 1 0 0 0 0 7 20 2 0 0 0 0 8 20 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 17 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 19 1 0 0 0 0 18 10 1 6 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 M END $$$$ 838393 OpenBabel12061010053D 14 13 0 0 0 0 0 0 0 0999 V2000 6.1560 14.9250 15.9180 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7900 14.6350 14.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1040 15.5810 16.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7740 13.7950 16.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4300 16.3340 12.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5280 17.4270 12.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7030 16.7430 9.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8210 16.1390 13.4560 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9990 16.8780 12.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4800 16.1270 15.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2760 16.9080 14.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4680 17.3680 12.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8790 17.9860 12.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7390 16.0300 10.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 10 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 M END $$$$ 838437 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 42.6660 83.2020 45.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 40.0000 86.0350 43.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 40.1920 85.6100 46.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 42.2750 85.0630 42.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 43.2980 82.7350 43.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 41.1800 82.2300 47.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 41.1870 85.4720 44.3470 C 0 0 1 0 0 0 0 0 0 0 0 0 40.8310 84.6680 45.5750 C 0 0 1 0 0 0 0 0 0 0 0 0 41.8120 84.5130 43.3820 C 0 0 2 0 0 0 0 0 0 0 0 0 42.1220 84.1210 46.1640 C 0 0 1 0 0 0 0 0 0 0 0 0 42.9810 83.7650 43.9410 C 0 0 1 0 0 0 0 0 0 0 0 0 41.9630 83.4150 47.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 838443 OpenBabel12061010053D 11 11 0 0 0 0 0 0 0 0999 V2000 8.2720 -14.3830 40.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8990 -12.2270 41.7550 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7040 -16.5400 39.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1730 -15.3430 40.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9680 -15.5550 39.8370 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9140 -14.6940 40.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6050 -14.1380 40.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9130 -13.0460 41.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5970 -14.9680 40.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2340 -13.6020 41.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2290 -12.7810 41.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 3 5 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 11 1 0 0 0 0 10 11 2 0 0 0 0 M END $$$$ 838452 OpenBabel12061010053D 22 24 0 0 0 0 0 0 0 0999 V2000 -2.3680 6.8260 14.6350 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.7490 1.3350 16.8390 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.6180 2.8570 12.9280 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 2.8020 12.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2940 5.0590 13.6640 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4510 5.2600 14.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 7.0200 13.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2560 1.9910 15.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 7.2750 14.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1780 7.4270 15.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1390 1.4650 16.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0080 1.7710 17.9370 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3260 -0.1620 16.6210 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9520 3.6840 13.8500 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4460 3.3810 13.5500 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6050 4.6650 13.4420 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2590 5.8020 12.5600 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6770 2.0780 12.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5000 3.4010 15.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7560 5.6560 12.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5600 0.6380 12.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0850 2.1350 10.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 9 2 0 0 0 0 1 10 2 0 0 0 0 2 8 1 0 0 0 0 2 11 2 0 0 0 0 2 12 2 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 3 18 1 0 0 0 0 4 18 1 0 0 0 0 5 14 1 0 0 0 0 5 20 1 0 0 0 0 8 19 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 1 0 0 0 15 4 1 6 0 0 0 15 16 1 0 0 0 0 16 6 1 1 0 0 0 16 17 1 0 0 0 0 17 7 1 1 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 M END $$$$ 838477 OpenBabel12061010053D 22 23 0 0 0 0 0 0 0 0999 V2000 19.9160 14.4320 66.4750 P 0 0 0 0 0 0 0 0 0 0 0 0 20.9360 13.3260 67.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0030 13.4210 69.8080 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5760 18.8270 67.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4740 16.9020 67.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5340 15.1050 64.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6910 15.7200 67.6740 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3430 13.6510 66.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9890 15.5970 68.7450 N 0 0 0 0 0 0 0 0 0 0 0 0 23.7020 10.7880 68.9690 N 0 0 0 0 0 0 0 0 0 0 0 0 25.9340 18.6250 67.1640 N 0 0 0 0 0 0 0 0 0 0 0 0 23.7290 13.5760 69.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5270 12.8690 68.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8610 12.8220 69.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8270 11.4090 69.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6460 15.0550 69.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0550 16.8670 68.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5720 11.4600 68.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2350 13.5500 68.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2460 17.4820 67.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0450 17.7670 67.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0690 10.6090 69.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 19 1 0 0 0 0 3 14 1 0 0 0 0 4 11 1 0 0 0 0 4 21 1 0 0 0 0 5 20 2 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 15 2 0 0 0 0 10 18 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 12 16 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 15 22 1 0 0 0 0 17 20 1 0 0 0 0 17 21 2 0 0 0 0 M END $$$$ 838532 OpenBabel12061010053D 44 47 0 0 0 0 0 0 0 0999 V2000 -46.3730 -21.2000 0.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 -46.0980 -22.7830 3.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 -43.9490 -23.7090 3.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 -48.3030 -20.8410 -0.7110 O 0 0 0 0 0 0 0 0 0 0 0 0 -41.2700 -21.8150 5.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 -45.9580 -24.0420 -0.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 -44.9930 -25.7500 1.8200 O 0 0 0 0 0 0 0 0 0 0 0 0 -44.8790 -21.0650 -2.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 -45.5150 -18.3500 -2.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 -44.2720 -24.5410 6.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 -42.0410 -24.2120 7.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 -40.1640 -23.7740 5.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 -47.3800 -16.2260 -3.7100 O 0 0 0 0 0 0 0 0 0 0 0 0 -46.1450 -19.8340 4.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 -46.4100 -13.5530 -3.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 -46.5040 -12.6940 -0.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 -41.1410 -20.5580 2.8420 O 0 0 0 0 0 0 0 0 0 0 0 0 -50.0270 -12.0570 0.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 -47.5920 -17.1200 -1.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 -46.4790 -22.2800 1.3630 C 0 0 1 0 0 0 0 0 0 0 0 0 -45.3450 -23.9830 3.4760 C 0 0 2 0 0 0 0 0 0 0 0 0 -45.5760 -23.4970 1.0010 C 0 0 1 0 0 0 0 0 0 0 0 0 -45.7440 -24.5790 2.0980 C 0 0 1 0 0 0 0 0 0 0 0 0 -45.9670 -21.7460 2.6740 C 0 0 1 0 0 0 0 0 0 0 0 0 -46.9600 -21.3610 -0.8740 C 0 0 1 0 0 0 0 0 0 0 0 0 -43.3050 -23.0450 4.6120 C 0 0 1 0 0 0 0 0 0 0 0 0 -47.6300 -18.5540 -1.4250 C 0 0 1 0 0 0 0 0 0 0 0 0 -46.2020 -20.5650 -1.9450 C 0 0 1 0 0 0 0 0 0 0 0 0 -46.1910 -19.0620 -1.5850 C 0 0 1 0 0 0 0 0 0 0 0 0 -48.3260 -19.4130 -0.3000 C 0 0 1 0 0 0 0 0 0 0 0 0 -43.0400 -24.0340 5.7480 C 0 0 1 0 0 0 0 0 0 0 0 0 -41.9810 -22.4680 4.1190 C 0 0 1 0 0 0 0 0 0 0 0 0 -48.6100 -16.1870 -1.6080 C 0 0 2 0 0 0 0 0 0 0 0 0 -42.3100 -23.3160 6.8940 C 0 0 2 0 0 0 0 0 0 0 0 0 -40.9900 -22.7290 6.3550 C 0 0 2 0 0 0 0 0 0 0 0 0 -47.9850 -15.3470 -2.7800 C 0 0 1 0 0 0 0 0 0 0 0 0 -46.8300 -20.5560 3.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -46.9720 -14.3090 -2.2370 C 0 0 2 0 0 0 0 0 0 0 0 0 -48.6320 -13.9820 -0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -47.6020 -13.3100 -1.1990 C 0 0 1 0 0 0 0 0 0 0 0 0 -49.0740 -15.2860 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -42.2420 -21.4400 3.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -49.7790 -19.0300 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -49.2690 -13.1370 0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 2 21 1 0 0 0 0 2 24 1 0 0 0 0 4 25 1 0 0 0 0 4 30 1 0 0 0 0 5 32 1 0 0 0 0 5 35 1 0 0 0 0 14 37 1 0 0 0 0 17 42 1 0 0 0 0 18 44 1 0 0 0 0 20 1 1 6 0 0 0 20 22 1 0 0 0 0 20 24 1 0 0 0 0 21 3 1 6 0 0 0 21 23 1 0 0 0 0 22 6 1 1 0 0 0 22 23 1 0 0 0 0 23 7 1 6 0 0 0 24 37 1 1 0 0 0 25 1 1 1 0 0 0 25 28 1 0 0 0 0 26 3 1 6 0 0 0 26 31 1 0 0 0 0 26 32 1 0 0 0 0 27 19 1 1 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 28 8 1 1 0 0 0 28 29 1 0 0 0 0 29 9 1 6 0 0 0 30 43 1 6 0 0 0 31 10 1 1 0 0 0 31 34 1 0 0 0 0 32 42 1 1 0 0 0 33 19 1 1 0 0 0 33 36 1 0 0 0 0 33 41 1 0 0 0 0 34 11 1 6 0 0 0 34 35 1 0 0 0 0 35 12 1 6 0 0 0 36 13 1 1 0 0 0 36 38 1 0 0 0 0 38 15 1 6 0 0 0 38 40 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 39 44 1 0 0 0 0 40 16 1 1 0 0 0 M END $$$$ 838551 OpenBabel12061010053D 7 6 0 0 0 0 0 0 0 0999 V2000 17.8490 -1.5980 52.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1540 -2.6710 54.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9880 -3.7600 54.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8050 -2.9440 51.5300 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8540 -2.5980 52.5150 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3080 -3.0330 53.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4750 -3.7330 51.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 2 0 0 0 0 3 6 1 0 0 0 0 5 4 1 6 0 0 0 5 1 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 M END $$$$ 838619 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 12.3710 -22.0450 57.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6230 -23.5860 59.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8680 -25.3810 58.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1210 -23.3300 56.8740 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5620 -20.2900 60.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7370 -20.8740 58.4250 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2060 -19.6650 57.2100 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5270 -21.6770 58.4660 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8570 -23.1860 58.3890 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5550 -24.0180 58.3260 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6020 -21.2990 57.2990 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5570 -23.4820 57.2620 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1730 -24.1420 57.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1520 -20.2250 59.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4260 -19.3850 59.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 838666 OpenBabel12061010053D 16 15 0 0 0 0 0 0 0 0999 V2000 10.8830 42.0690 8.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4890 41.8600 7.3930 N 0 3 0 0 0 0 0 0 0 0 0 0 12.7550 41.2220 7.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8800 39.8330 8.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9980 39.7930 9.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7110 40.9700 6.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7580 43.1110 6.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5430 40.4330 10.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0270 39.6240 11.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4720 40.1810 13.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9160 39.3280 14.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4630 39.9020 15.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9940 39.0600 16.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5380 39.6310 18.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4390 38.7920 18.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9630 37.7580 19.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 M CHG 1 2 1 M END $$$$ 838682 OpenBabel12061010053D 11 10 0 0 0 0 0 0 0 0999 V2000 48.6010 -8.2040 29.4810 P 0 0 0 0 0 0 0 0 0 0 0 0 49.6920 -9.2930 29.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 47.2620 -9.0080 29.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 48.6200 -7.1140 28.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 49.6610 -10.5620 29.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 46.0080 -8.3280 29.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 48.7440 -7.6000 30.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 49.0260 -11.7080 29.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 51.0510 -10.9790 30.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 45.1270 -9.1960 28.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 45.2990 -8.0620 30.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 M END $$$$ 838684 OpenBabel12061010053D 12 11 0 0 0 0 0 0 0 0999 V2000 -7.9140 -1.4420 4.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5410 -2.5680 3.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6850 0.0930 4.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6500 -4.1500 4.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5270 0.6930 7.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9470 -5.6130 6.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7500 -1.5720 5.6730 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9180 -2.7660 5.1960 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9360 -0.2770 5.6260 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6950 -4.0770 5.3040 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6130 0.8650 6.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3740 -4.3140 6.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 7 1 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 2 1 6 0 0 0 8 10 1 0 0 0 0 9 3 1 6 0 0 0 9 11 1 0 0 0 0 10 4 1 1 0 0 0 10 12 1 0 0 0 0 M END $$$$ 838685 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 -4.4120 -4.5580 3.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8580 -2.0820 -0.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5930 -4.3960 -0.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8920 -0.9820 2.5090 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5410 -2.5680 3.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1250 -6.9220 2.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5520 -2.6650 0.9010 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6890 -4.1730 0.6570 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7920 -2.3680 2.2060 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2390 -4.8620 1.9020 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3670 -3.1760 3.3680 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2940 -6.3680 1.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 838832 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 9.7060 107.1890 181.9530 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9160 109.5410 183.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6870 109.0800 184.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6930 108.8670 182.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8030 108.2310 179.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3100 107.4710 181.2010 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0010 106.0880 180.2980 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9960 107.8770 181.6540 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0620 108.4040 183.0870 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6520 108.7830 183.5610 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0080 106.7120 181.6060 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6520 107.6440 183.3200 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2200 108.0400 183.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9750 108.2550 180.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9700 109.2330 180.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 838838 OpenBabel12061010053D 25 26 0 0 0 0 0 0 0 0999 V2000 49.0200 59.8160 -11.1940 P 0 0 0 0 0 0 0 0 0 0 0 0 50.4070 60.5130 -8.6770 P 0 0 0 0 0 0 0 0 0 0 0 0 49.1850 55.8400 -12.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 49.1620 58.2270 -11.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 49.1860 60.2360 -9.6630 O 0 0 0 0 0 0 0 0 0 0 0 0 52.1290 54.7630 -14.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 51.5470 54.1250 -11.9680 O 0 0 0 0 0 0 0 0 0 0 0 0 47.6310 60.1500 -11.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 50.1830 60.3760 -11.9440 O 0 0 0 0 0 0 0 0 0 0 0 0 48.7010 54.7500 -16.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 51.3050 59.3760 -9.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 50.8380 61.8680 -9.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 49.7170 60.4410 -7.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 48.5360 58.8580 -18.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 49.5350 56.5130 -15.1540 N 0 0 0 0 0 0 0 0 0 0 0 0 48.6390 56.8370 -17.2840 N 0 0 0 0 0 0 0 0 0 0 0 0 49.8910 55.6120 -14.0430 C 0 0 1 0 0 0 0 0 0 0 0 0 50.1850 56.1120 -11.7370 C 0 0 1 0 0 0 0 0 0 0 0 0 51.3860 55.7620 -13.7560 C 0 0 1 0 0 0 0 0 0 0 0 0 51.4900 55.5280 -12.2560 C 0 0 2 0 0 0 0 0 0 0 0 0 50.3720 57.6090 -11.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 48.9440 55.9490 -16.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 49.7840 57.8720 -15.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 48.8620 58.1980 -17.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 49.4720 58.7080 -16.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 11 2 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 21 1 0 0 0 0 10 22 2 0 0 0 0 14 24 2 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 22 1 0 0 0 0 16 24 1 0 0 0 0 17 15 1 1 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 6 0 0 0 19 6 1 1 0 0 0 19 20 1 0 0 0 0 20 7 1 6 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 M END $$$$ 838861 OpenBabel12061010053D 20 21 0 0 0 0 0 0 0 0999 V2000 14.0880 2.5170 28.5000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.7220 6.6240 28.9370 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5760 3.9540 29.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7290 6.3740 32.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0790 9.6380 27.9590 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8540 2.1120 27.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5430 2.7500 28.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2430 1.6490 29.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 6.6770 26.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6020 7.4950 28.4620 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7530 8.1820 27.1210 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6890 7.6330 29.2090 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1070 6.0130 30.1700 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1330 6.3940 31.2910 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5690 7.7020 30.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8430 8.5270 27.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2180 4.6040 30.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1280 6.2230 28.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2690 6.9000 26.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0340 5.8530 27.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 17 1 0 0 0 0 5 16 2 0 0 0 0 9 19 2 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 11 16 1 0 0 0 0 11 19 1 0 0 0 0 12 10 1 1 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 6 0 0 0 14 4 1 1 0 0 0 14 15 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 M END $$$$ 838895 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 24.3300 37.7430 118.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6770 38.2400 120.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8680 39.9700 120.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1350 38.0180 120.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5280 34.7500 118.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7160 36.8340 117.8170 N 0 0 0 0 0 0 0 0 0 0 0 0 22.6930 37.9930 116.4060 N 0 0 0 0 0 0 0 0 0 0 0 0 21.9400 37.1100 118.5540 C 0 0 2 0 0 0 0 0 0 0 0 0 21.7530 38.3980 119.3380 C 0 0 2 0 0 0 0 0 0 0 0 0 23.0420 38.7440 120.0830 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1140 37.2430 117.5740 C 0 0 2 0 0 0 0 0 0 0 0 0 24.1740 38.9290 119.0570 C 0 0 1 0 0 0 0 0 0 0 0 0 25.5380 39.2200 119.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1040 35.6590 117.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8250 35.4640 117.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 3 1 6 0 0 0 10 12 1 0 0 0 0 11 7 1 1 0 0 0 12 13 1 1 0 0 0 14 15 1 0 0 0 0 M END $$$$ 838910 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 1.3220 12.2930 -5.4840 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6840 15.5550 -4.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 12.8140 -7.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2410 13.7790 -6.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5710 15.0050 -5.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2910 14.1090 -7.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4070 14.0600 -4.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0280 13.1730 -6.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4440 14.7110 -6.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5270 14.6780 -4.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8880 12.9270 -5.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 12.6540 -6.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 5 1 0 0 0 0 3 12 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 8 11 2 0 0 0 0 11 12 1 0 0 0 0 M END $$$$ 838924 OpenBabel12061010053D 14 15 0 0 0 0 0 0 0 0999 V2000 -5.3740 5.7420 10.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4860 4.6770 6.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6970 6.1310 7.7670 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 8.7690 8.8190 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9600 7.4090 10.6700 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1970 8.2080 6.7360 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4240 9.1870 10.8900 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8530 6.8940 8.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0910 7.9480 8.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7670 6.6050 10.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2230 8.4040 10.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7560 6.4150 6.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9970 7.4880 5.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6460 5.5700 5.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 14 1 0 0 0 0 3 8 2 0 0 0 0 3 12 1 0 0 0 0 4 9 1 0 0 0 0 4 11 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 9 2 0 0 0 0 6 13 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 M END $$$$ 838974 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 76.0210 93.0090 45.8960 O 0 0 0 0 0 0 0 0 0 0 0 0 78.3000 91.6060 49.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 76.9500 89.7710 47.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 78.9260 94.1430 47.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 76.7540 95.1420 46.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 73.9850 91.0150 46.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 77.9580 91.9310 47.7470 C 0 0 1 0 0 0 0 0 0 0 0 0 76.7000 91.1660 47.3310 C 0 0 1 0 0 0 0 0 0 0 0 0 77.7100 93.4440 47.6230 C 0 0 2 0 0 0 0 0 0 0 0 0 76.3050 91.5950 45.9160 C 0 0 1 0 0 0 0 0 0 0 0 0 77.1640 93.8170 46.2300 C 0 0 1 0 0 0 0 0 0 0 0 0 75.0680 90.8780 45.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 11 5 1 1 0 0 0 M END $$$$ 838979 OpenBabel12061010053D 12 12 0 0 0 0 0 0 0 0999 V2000 57.8120 71.3040 65.5010 O 0 0 0 0 0 0 0 0 0 0 0 0 55.8890 72.3770 69.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 57.3080 69.9250 68.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 56.6740 74.3850 67.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 57.4790 73.4020 64.6170 O 0 0 0 0 0 0 0 0 0 0 0 0 56.9640 68.6250 65.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 56.9330 72.1720 68.1090 C 0 0 1 0 0 0 0 0 0 0 0 0 57.0060 70.6970 67.7340 C 0 0 1 0 0 0 0 0 0 0 0 0 56.6780 73.0010 66.8410 C 0 0 2 0 0 0 0 0 0 0 0 0 58.0830 70.4910 66.6760 C 0 0 1 0 0 0 0 0 0 0 0 0 57.7700 72.7090 65.7970 C 0 0 1 0 0 0 0 0 0 0 0 0 58.1690 69.0410 66.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 6 12 1 0 0 0 0 7 2 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 1 0 0 0 8 10 1 0 0 0 0 9 4 1 1 0 0 0 9 11 1 0 0 0 0 10 12 1 6 0 0 0 11 5 1 6 0 0 0 M END $$$$ 839030 OpenBabel12061010053D 30 33 0 0 0 0 0 0 0 0999 V2000 38.8160 12.0050 85.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 33.9450 17.8990 89.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 34.3440 19.3010 87.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 39.9290 12.5740 84.4760 N 0 0 0 0 0 0 0 0 0 0 0 0 42.8330 14.1020 82.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 43.6020 15.1700 82.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 43.2370 13.3710 80.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 44.8750 15.6970 81.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 41.3030 14.3970 83.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 41.6940 13.7340 82.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 40.0970 13.8970 84.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 43.1920 15.8030 83.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 44.6670 13.7440 80.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 44.9860 15.1890 80.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0970 14.7960 85.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 42.0870 15.4270 84.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 37.3450 15.4230 86.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 37.2440 16.7260 86.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 38.2610 14.4840 86.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 42.2520 13.6990 79.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 43.2170 11.8570 81.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 44.7610 17.2220 81.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 46.0910 15.3970 82.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 38.9390 16.1130 84.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 38.0800 17.0560 85.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3260 17.6390 86.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5050 17.2840 87.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5130 15.0790 87.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5970 15.9680 88.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 34.5280 18.2070 88.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 2 30 2 0 0 0 0 3 30 1 0 0 0 0 4 11 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 14 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 11 15 1 0 0 0 0 12 16 2 0 0 0 0 13 14 1 0 0 0 0 15 19 2 0 0 0 0 15 24 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 28 2 0 0 0 0 18 25 1 0 0 0 0 18 26 2 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 M END $$$$ 839076 OpenBabel12061010053D 15 15 0 0 0 0 0 0 0 0999 V2000 224.3840 125.9140 -38.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 222.9790 129.3690 -40.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 221.7680 126.8220 -40.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 223.4230 124.3530 -40.9870 O 0 0 0 0 0 0 0 0 0 0 0 0 226.6210 129.9620 -39.4570 O 0 0 0 0 0 0 0 0 0 0 0 0 224.7830 129.6040 -38.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 225.9770 127.1960 -37.2190 N 0 0 0 0 0 0 0 0 0 0 0 0 224.4980 128.3190 -38.7780 C 0 0 2 0 0 0 0 0 0 0 0 0 223.1020 128.2960 -39.3820 C 0 0 2 0 0 0 0 0 0 0 0 0 222.9790 126.9580 -40.1040 C 0 0 1 0 0 0 0 0 0 0 0 0 224.6360 127.1800 -37.7700 C 0 0 1 0 0 0 0 0 0 0 0 0 223.0910 125.8430 -39.0640 C 0 0 1 0 0 0 0 0 0 0 0 0 222.9550 124.4330 -39.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 225.8970 130.2700 -38.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 226.2680 131.4600 -37.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 8 6 1 1 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 3 1 1 0 0 0 10 12 1 0 0 0 0 11 7 1 6 0 0 0 12 13 1 6 0 0 0 14 15 1 0 0 0 0 M END $$$$ 839078 OpenBabel12061010053D 20 20 0 0 0 0 0 0 0 0999 V2000 251.9300 122.5580 -50.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 252.9270 124.4760 -49.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 255.3540 123.8470 -50.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 255.5350 121.0710 -51.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 253.1040 119.8960 -52.5410 O 0 0 0 0 0 0 0 0 0 0 0 0 251.0760 119.3550 -50.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 254.3220 121.7940 -51.6780 C 0 0 2 0 0 0 0 0 0 0 0 0 254.3520 122.8750 -50.5800 C 0 0 2 0 0 0 0 0 0 0 0 0 253.1670 120.8180 -51.4560 C 0 0 1 0 0 0 0 0 0 0 0 0 252.9600 123.5470 -50.4860 C 0 0 1 0 0 0 0 0 0 0 0 0 251.8480 121.5970 -51.3450 C 0 0 1 0 0 0 0 0 0 0 0 0 250.6600 120.7000 -51.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 252.2120 125.7020 -49.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 252.5550 126.7800 -48.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 252.1790 126.3470 -47.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 251.3910 127.4310 -46.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 252.0670 128.8070 -46.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 253.3990 128.8220 -45.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 253.2440 128.4880 -44.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 254.6000 128.5070 -43.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 13 1 0 0 0 0 6 12 1 0 0 0 0 7 4 1 1 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 3 1 6 0 0 0 8 10 1 0 0 0 0 9 5 1 6 0 0 0 9 11 1 0 0 0 0 10 2 1 1 0 0 0 11 12 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 M END $$$$ 839117 OpenBabel12061010053D 15 16 0 0 0 0 0 0 0 0999 V2000 25.6040 29.1770 17.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6730 28.7390 13.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8460 28.7240 12.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2070 26.1240 14.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7560 29.4930 16.7240 N 0 0 0 0 0 0 0 0 0 0 0 0 26.5230 30.9290 18.2040 N 0 0 0 0 0 0 0 0 0 0 0 0 25.9780 28.1180 16.0760 C 0 0 2 0 0 0 0 0 0 0 0 0 27.4370 28.5100 15.7600 C 0 0 1 0 0 0 0 0 0 0 0 0 25.2210 28.3560 14.7480 C 0 0 1 0 0 0 0 0 0 0 0 0 27.4270 29.0130 14.3100 C 0 0 2 0 0 0 0 0 0 0 0 0 26.3040 28.1250 13.6730 C 0 0 2 0 0 0 0 0 0 0 0 0 26.6870 29.7970 17.4740 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9440 27.5480 14.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5730 31.8150 18.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3340 31.0450 18.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 4 13 1 0 0 0 0 5 12 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 1 1 6 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 5 1 6 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 1 0 0 0 10 2 1 1 0 0 0 10 11 1 0 0 0 0 11 3 1 1 0 0 0 12 6 1 6 0 0 0 M END $$$$ 839129 OpenBabel12061010053D 28 30 0 0 0 0 0 0 0 0999 V2000 17.4860 115.8420 -0.1600 P 0 0 0 0 0 0 0 0 0 0 0 0 16.8400 115.0950 -2.8280 P 0 0 0 0 0 0 0 0 0 0 0 0 17.4650 117.9580 2.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0100 116.0970 0.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8330 115.4990 -1.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3400 116.3710 5.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6800 116.2550 4.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2530 119.8960 3.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8540 114.7350 0.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8390 117.1840 -0.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6450 114.8380 -4.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1030 113.8270 -2.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8450 116.2200 -3.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4230 117.9440 3.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2300 117.4910 2.9080 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3970 120.3560 3.4740 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1630 121.1820 3.3820 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9980 122.5610 3.7230 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8570 117.7570 3.2990 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7930 119.1360 3.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2740 116.3990 3.7240 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4160 118.8470 3.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8090 117.5050 2.2860 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6660 116.2480 3.1250 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4470 116.9950 2.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5010 119.9330 3.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4850 117.3000 0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5480 121.3560 3.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 9 2 0 0 0 0 1 10 1 0 0 0 0 2 5 1 0 0 0 0 2 11 2 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 19 1 0 0 0 0 3 23 1 0 0 0 0 4 27 1 0 0 0 0 8 26 2 0 0 0 0 14 20 1 0 0 0 0 14 25 1 0 0 0 0 15 22 1 0 0 0 0 15 25 2 0 0 0 0 16 20 1 0 0 0 0 16 28 2 0 0 0 0 17 26 1 0 0 0 0 17 28 1 0 0 0 0 18 28 1 0 0 0 0 19 14 1 6 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 21 6 1 1 0 0 0 21 24 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 6 0 0 0 24 7 1 1 0 0 0 M END $$$$