3D Schrodinger Suite 2019-4. 88 91 0 0 1 0 999 V2000 -21.8617 -7.7004 -27.1028 C 0 0 0 0 0 0 -23.1881 -7.0256 -26.7039 C 0 0 0 0 0 0 -24.3043 -8.0631 -26.5412 C 0 0 0 0 0 0 -23.6302 -5.9434 -27.7117 C 0 0 0 0 0 0 -22.5906 -4.8486 -28.0507 C 0 0 1 0 0 0 -23.0069 -4.0350 -29.1935 N 0 0 0 0 0 0 -24.1780 -3.3970 -29.3643 C 0 0 0 0 0 0 -25.0221 -3.3147 -28.4761 O 0 0 0 0 0 0 -24.4127 -2.7364 -30.7326 C 0 0 2 0 0 0 -23.1583 -2.2042 -31.2668 N 0 0 0 0 0 0 -22.6297 -0.9845 -31.0890 C 0 0 0 0 0 0 -23.1544 -0.0511 -30.4899 O 0 0 0 0 0 0 -21.2195 -0.8425 -31.5899 C 0 0 0 0 0 0 -20.4306 -1.1942 -30.4775 O 0 0 0 0 0 0 -20.2443 -2.5198 -30.1634 C 0 0 0 0 0 0 -19.9786 -2.7794 -28.8141 C 0 0 0 0 0 0 -19.3490 -3.9684 -28.4258 C 0 0 0 0 0 0 -19.1127 -4.9898 -29.3612 C 0 0 0 0 0 0 -19.5293 -4.7968 -30.6974 C 0 0 0 0 0 0 -20.0819 -3.5635 -31.1041 C 0 0 0 0 0 0 -18.4340 -6.2193 -28.9286 N 0 3 0 0 0 0 -17.8747 -6.2049 -27.8402 O 0 5 0 0 0 0 -18.4544 -7.1929 -29.6704 O 0 0 0 0 0 0 -25.6104 -1.7537 -30.8505 C 0 0 0 0 0 0 -26.9898 -2.3451 -30.5664 C 0 0 0 0 0 0 -25.6923 -1.1107 -32.2166 C 0 0 0 0 0 0 -22.0852 -4.0179 -26.8574 C 0 0 0 0 0 0 -22.3413 -2.8177 -26.7744 O 0 0 0 0 0 0 -21.3423 -4.6896 -25.9589 N 0 0 0 0 0 0 -20.8153 -4.2778 -24.6567 C 0 0 2 0 0 0 -21.7495 -3.3437 -23.8895 C 0 0 0 0 0 0 -23.2032 -3.8313 -23.7493 C 0 0 1 0 0 0 -23.4287 -4.9575 -22.7381 C 0 0 0 0 0 0 -24.5472 -4.4677 -21.8074 C 0 0 0 0 0 0 -24.7979 -3.0973 -22.2022 N 0 0 0 0 0 0 -24.1022 -2.7153 -23.2644 C 0 0 0 0 0 0 -24.1621 -1.6182 -23.8092 O 0 0 0 0 0 0 -19.3492 -3.7931 -24.7426 C 0 0 0 0 0 0 -19.0411 -2.6028 -24.7167 O 0 0 0 0 0 0 -18.2708 -4.8149 -24.8675 C 0 0 0 0 0 0 -16.9616 -4.5608 -25.0088 N 0 0 0 0 0 0 -16.2528 -5.7592 -25.0007 C 0 0 0 0 0 0 -14.8584 -5.9249 -25.0871 C 0 0 0 0 0 0 -14.2643 -7.1949 -24.9714 C 0 0 0 0 0 0 -15.0585 -8.3455 -24.8418 C 0 0 0 0 0 0 -16.4553 -8.2201 -24.8102 C 0 0 0 0 0 0 -17.0346 -6.9421 -24.8716 C 0 0 0 0 0 0 -18.7267 -6.5249 -24.8140 S 0 0 0 0 0 0 -21.0051 -7.0325 -27.0417 H 0 0 0 0 0 0 -21.6358 -8.5450 -26.4520 H 0 0 0 0 0 0 -21.9060 -8.0587 -28.1307 H 0 0 0 0 0 0 -23.0605 -6.5749 -25.7206 H 0 0 0 0 0 0 -25.2290 -7.5938 -26.2039 H 0 0 0 0 0 0 -24.5166 -8.5710 -27.4829 H 0 0 0 0 0 0 -24.0344 -8.8196 -25.8037 H 0 0 0 0 0 0 -24.5441 -5.4893 -27.3317 H 0 0 0 0 0 0 -23.9163 -6.4387 -28.6416 H 0 0 0 0 0 0 -21.7181 -5.3705 -28.4388 H 0 0 0 0 0 0 -22.3559 -3.9967 -29.9630 H 0 0 0 0 0 0 -24.6395 -3.5725 -31.3964 H 0 0 0 0 0 0 -22.5959 -2.8650 -31.7813 H 0 0 0 0 0 0 -21.0327 0.1993 -31.8516 H 0 0 0 0 0 0 -21.0384 -1.4309 -32.4887 H 0 0 0 0 0 0 -20.1697 -2.0122 -28.0816 H 0 0 0 0 0 0 -19.0477 -4.0836 -27.4002 H 0 0 0 0 0 0 -19.3636 -5.5698 -31.4314 H 0 0 0 0 0 0 -20.2993 -3.4150 -32.1455 H 0 0 0 0 0 0 -25.4334 -0.9622 -30.1364 H 0 0 0 0 0 0 -27.7901 -1.6668 -30.8610 H 0 0 0 0 0 0 -27.1384 -3.2685 -31.1193 H 0 0 0 0 0 0 -27.1306 -2.5231 -29.5068 H 0 0 0 0 0 0 -25.6876 -0.0326 -32.1121 H 0 0 0 0 0 0 -24.8468 -1.4070 -32.8165 H 0 0 0 0 0 0 -26.5816 -1.3967 -32.7797 H 0 0 0 0 0 0 -21.2054 -5.6671 -26.1707 H 0 0 0 0 0 0 -20.8400 -5.1815 -24.0510 H 0 0 0 0 0 0 -21.7642 -2.4166 -24.4361 H 0 0 0 0 0 0 -21.3330 -3.1199 -22.9058 H 0 0 0 0 0 0 -23.6224 -4.1418 -24.7025 H 0 0 0 0 0 0 -22.5227 -5.1847 -22.1858 H 0 0 0 0 0 0 -23.7222 -5.8793 -23.2432 H 0 0 0 0 0 0 -24.2589 -4.5245 -20.7579 H 0 0 0 0 0 0 -25.4581 -5.0512 -21.9442 H 0 0 0 0 0 0 -25.4420 -2.5007 -21.7036 H 0 0 0 0 0 0 -14.2441 -5.0597 -25.2290 H 0 0 0 0 0 0 -13.1888 -7.2880 -24.9814 H 0 0 0 0 0 0 -14.5932 -9.3179 -24.7776 H 0 0 0 0 0 0 -17.0804 -9.0947 -24.7175 H 0 0 0 0 0 0 1 2 1 0 0 0 1 49 1 0 0 0 1 50 1 0 0 0 1 51 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 2 52 1 0 0 0 3 53 1 0 0 0 3 54 1 0 0 0 3 55 1 0 0 0 4 5 1 0 0 0 4 56 1 0 0 0 4 57 1 0 0 0 5 6 1 0 0 0 5 27 1 0 0 0 5 58 1 0 0 0 6 7 1 0 0 0 6 59 1 0 0 0 7 8 2 0 0 0 7 9 1 0 0 0 9 10 1 0 0 0 9 24 1 0 0 0 9 60 1 0 0 0 10 11 1 0 0 0 10 61 1 0 0 0 11 12 2 0 0 0 11 13 1 0 0 0 13 14 1 0 0 0 13 62 1 0 0 0 13 63 1 0 0 0 14 15 1 0 0 0 15 20 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 16 64 1 0 0 0 17 18 2 0 0 0 17 65 1 0 0 0 18 19 1 0 0 0 18 21 1 0 0 0 19 20 2 0 0 0 19 66 1 0 0 0 20 67 1 0 0 0 21 22 1 0 0 0 21 23 2 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 24 68 1 0 0 0 25 69 1 0 0 0 25 70 1 0 0 0 25 71 1 0 0 0 26 72 1 0 0 0 26 73 1 0 0 0 26 74 1 0 0 0 27 28 2 0 0 0 27 29 1 0 0 0 29 30 1 0 0 0 29 75 1 0 0 0 30 31 1 0 0 0 30 38 1 0 0 0 30 76 1 0 0 0 31 32 1 0 0 0 31 77 1 0 0 0 31 78 1 0 0 0 32 36 1 0 0 0 32 33 1 0 0 0 32 79 1 0 0 0 33 34 1 0 0 0 33 80 1 0 0 0 33 81 1 0 0 0 34 35 1 0 0 0 34 82 1 0 0 0 34 83 1 0 0 0 35 36 1 0 0 0 35 84 1 0 0 0 36 37 2 0 0 0 38 39 2 0 0 0 38 40 1 0 0 0 40 48 1 0 0 0 40 41 2 0 0 0 41 42 1 0 0 0 42 47 1 0 0 0 42 43 2 0 0 0 43 44 1 0 0 0 43 85 1 0 0 0 44 45 2 0 0 0 44 86 1 0 0 0 45 46 1 0 0 0 45 87 1 0 0 0 46 47 2 0 0 0 46 88 1 0 0 0 47 48 1 0 0 0 M CHG 2 21 1 22 -1 M END $$$$