B1SXO5 -OEChem-04022118183D 36 37 0 0 0 0 0 0 0999 V2000 3.2771 -2.0062 -0.9889 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -2.0577 1.3873 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3076 -0.0348 -1.4175 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2435 0.7003 0.5539 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6642 0.5948 -0.8142 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7021 -0.1134 0.2596 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4804 -1.1231 0.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9888 0.0930 0.4991 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8131 -0.3049 1.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4021 -1.3333 -0.6343 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8267 -1.7579 0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0671 0.3032 1.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6562 -0.7253 -0.5805 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4661 -2.0509 -1.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5810 -0.3244 -0.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9245 1.8510 -0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2910 0.6072 -0.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0369 2.1983 0.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9337 2.9015 -0.7712 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8998 1.1646 0.6443 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4888 1.4182 0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1063 -0.1248 2.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1764 -1.9782 -1.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3124 0.9393 2.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3174 -0.9377 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1193 -1.3353 -1.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1538 -3.0539 -1.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4092 1.2816 1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2297 3.2120 0.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5138 3.3664 0.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1064 2.4735 -1.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4096 3.6727 -1.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8013 1.3406 1.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2038 2.4674 0.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8751 1.0347 1.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2736 1.3479 -0.7035 H 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 11 2 0 0 0 0 3 17 2 0 0 0 0 4 8 1 0 0 0 0 4 17 1 0 0 0 0 4 28 1 0 0 0 0 5 15 1 0 0 0 0 5 16 2 0 0 0 0 6 15 2 0 0 0 0 6 20 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 7 11 1 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 9 22 1 0 0 0 0 10 13 2 0 0 0 0 10 23 1 0 0 0 0 11 14 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 21 1 0 0 0 0 18 20 2 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 M END $$$$