3D Schrodinger Suite 2019-4. 59 62 0 0 1 0 999 V2000 -22.8592 -3.7987 -29.8450 C 0 0 1 0 0 0 -22.8112 -3.5837 -31.3592 C 0 0 0 0 0 0 -23.6205 -2.3419 -31.7330 C 0 0 0 0 0 0 -25.0678 -2.4354 -31.2360 C 0 0 0 0 0 0 -25.1017 -2.7002 -29.7235 C 0 0 0 0 0 0 -24.3176 -3.9683 -29.3607 C 0 0 2 0 0 0 -24.3879 -4.2799 -27.8495 C 0 0 0 0 0 0 -23.5133 -5.4249 -27.5333 N 0 0 0 0 0 0 -22.1060 -5.0885 -27.8725 C 0 0 1 0 0 0 -20.9775 -5.9525 -27.2598 C 0 0 0 0 0 0 -20.2151 -5.0660 -25.0684 C 0 0 0 0 0 0 -18.9022 -4.8320 -25.8049 C 0 0 0 0 0 0 -17.8890 -5.9082 -25.5841 C 0 0 0 0 0 0 -16.8909 -5.9651 -24.6479 C 0 0 0 0 0 0 -16.2204 -7.1827 -24.7226 N 0 0 0 0 0 0 -16.8191 -7.8146 -25.7204 C 0 0 0 0 0 0 -17.7899 -7.0964 -26.2910 N 0 0 0 0 0 0 -20.6770 -4.4408 -23.9233 C 0 0 0 0 0 0 -20.2777 -3.5478 -23.1481 O 0 5 0 0 0 0 -21.9816 -4.9689 -29.3932 C 0 0 0 0 0 0 -23.9589 -6.6523 -27.1410 C 0 0 0 0 0 0 -23.2327 -7.6276 -26.9697 O 0 0 0 0 0 0 -25.4133 -6.8459 -26.8627 C 0 0 0 0 0 0 -26.1930 -7.6469 -27.7228 C 0 0 0 0 0 0 -27.5576 -7.8538 -27.4440 C 0 0 0 0 0 0 -28.1412 -7.2633 -26.3057 C 0 0 0 0 0 0 -29.9860 -7.5045 -25.9214 Br 0 0 0 0 0 0 -27.3569 -6.4894 -25.4329 C 0 0 0 0 0 0 -25.9910 -6.2944 -25.7022 C 0 0 0 0 0 0 -21.0727 -6.0446 -25.7845 N 0 3 0 0 0 0 -22.4522 -2.8973 -29.3809 H 0 0 0 0 0 0 -23.2070 -4.4585 -31.8792 H 0 0 0 0 0 0 -21.7792 -3.4601 -31.6899 H 0 0 0 0 0 0 -23.5961 -2.2548 -32.8097 H 0 0 0 0 0 0 -23.1437 -1.4478 -31.3275 H 0 0 0 0 0 0 -25.5659 -3.2403 -31.7726 H 0 0 0 0 0 0 -25.6066 -1.5168 -31.4716 H 0 0 0 0 0 0 -26.1221 -2.7523 -29.3543 H 0 0 0 0 0 0 -24.6388 -1.8549 -29.2213 H 0 0 0 0 0 0 -24.7542 -4.8150 -29.8919 H 0 0 0 0 0 0 -25.4286 -4.4270 -27.5669 H 0 0 0 0 0 0 -24.0581 -3.4151 -27.2714 H 0 0 0 0 0 0 -21.9207 -4.0802 -27.4979 H 0 0 0 0 0 0 -20.0205 -5.5007 -27.5177 H 0 0 0 0 0 0 -20.9471 -6.9499 -27.6974 H 0 0 0 0 0 0 -18.4842 -3.8890 -25.4561 H 0 0 0 0 0 0 -19.1040 -4.7083 -26.8694 H 0 0 0 0 0 0 -16.6369 -5.2156 -23.9252 H 0 0 0 0 0 0 -16.5435 -8.8069 -26.0452 H 0 0 0 0 0 0 -18.3631 -7.3891 -27.0683 H 0 0 0 0 0 0 -21.6549 -4.9260 -23.7299 H 0 0 0 0 0 0 -20.9459 -4.7797 -29.6771 H 0 0 0 0 0 0 -22.2813 -5.8974 -29.8821 H 0 0 0 0 0 0 -25.7542 -8.0996 -28.6005 H 0 0 0 0 0 0 -28.1552 -8.4603 -28.1057 H 0 0 0 0 0 0 -27.8025 -6.0439 -24.5557 H 0 0 0 0 0 0 -25.3868 -5.7191 -25.0179 H 0 0 0 0 0 0 -20.8179 -6.9812 -25.5017 H 0 0 0 0 0 0 -22.0389 -5.8914 -25.5263 H 0 0 0 0 0 0 1 6 1 0 0 0 1 20 1 0 0 0 1 2 1 0 0 0 1 31 1 0 0 0 2 3 1 0 0 0 2 32 1 0 0 0 2 33 1 0 0 0 3 4 1 0 0 0 3 34 1 0 0 0 3 35 1 0 0 0 4 5 1 0 0 0 4 36 1 0 0 0 4 37 1 0 0 0 5 6 1 0 0 0 5 38 1 0 0 0 5 39 1 0 0 0 6 7 1 0 0 0 6 40 1 0 0 0 7 8 1 0 0 0 7 41 1 0 0 0 7 42 1 0 0 0 8 9 1 0 0 0 8 21 1 0 0 0 9 10 1 0 0 0 9 20 1 0 0 0 9 43 1 0 0 0 10 30 1 0 0 0 10 44 1 0 0 0 10 45 1 0 0 0 11 12 1 0 0 0 11 18 2 0 0 0 11 30 1 0 0 0 12 13 1 0 0 0 12 46 1 0 0 0 12 47 1 0 0 0 13 17 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 14 48 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 16 49 1 0 0 0 17 50 1 0 0 0 18 19 1 0 0 0 18 51 1 0 0 0 20 52 1 0 0 0 20 53 1 0 0 0 21 22 2 0 0 0 21 23 1 0 0 0 23 29 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 24 54 1 0 0 0 25 26 2 0 0 0 25 55 1 0 0 0 26 27 1 0 0 0 26 28 1 0 0 0 28 29 2 0 0 0 28 56 1 0 0 0 29 57 1 0 0 0 30 58 1 0 0 0 30 59 1 0 0 0 M CHG 2 19 -1 30 1 M END $$$$