B91SJZ -OEChem-04022114053D 32 33 0 1 0 0 0 0 0999 V2000 1.4119 3.2834 0.3736 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5942 -0.3585 -0.1208 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5399 -1.4638 0.6159 N 0 0 2 0 0 0 0 0 0 0 0 0 -0.1822 2.7719 0.2610 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2114 1.8191 0.1941 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5867 -2.5097 -0.3296 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3914 -1.2720 -0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2196 -0.8393 0.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6565 0.2209 -0.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2977 0.6002 -0.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4341 1.0745 -0.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3929 -2.8847 0.9278 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 1.4520 0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2317 0.9247 0.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9971 -0.6596 -0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1745 -2.1590 -0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3567 -1.7751 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9239 -1.7070 -1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6537 -1.4214 -0.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6793 -0.8763 1.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4216 0.5715 -0.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0559 0.3648 -1.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 2.1047 -0.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3691 -3.3333 1.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7805 -3.0198 1.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9300 -3.4443 0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4855 -0.1302 -0.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4460 -0.3478 0.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6688 -2.6940 0.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6942 -2.4826 -1.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6830 -3.5220 -0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0256 -2.2399 0.5498 H 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 14 1 0 0 0 0 2 15 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 12 1 0 0 0 0 4 13 2 0 0 0 0 5 14 2 0 0 0 0 6 16 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 M END $$$$