BS31HJ -OEChem-04012113013D 33 34 0 1 0 0 0 0 0999 V2000 -3.9601 0.1673 -1.3643 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.6798 -0.6240 -0.2544 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6726 3.5924 -0.7438 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5108 3.2690 0.5318 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4057 0.6296 1.4921 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7615 1.1593 -0.4452 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4838 0.6498 -0.5721 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0585 0.0632 1.0756 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3835 -0.2561 1.1103 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0448 1.3785 0.1738 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1075 0.4375 -0.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7517 -1.0214 -0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4895 2.8253 0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1557 -1.7008 0.8862 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0274 -1.6545 -1.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3778 0.7977 0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8268 -3.0485 1.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6985 -3.0023 -1.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0982 -3.6993 0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7261 0.3018 -0.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0696 -0.2643 -0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9451 1.2051 1.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2633 0.6585 -1.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0804 0.6269 0.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6729 1.3224 -1.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7211 -1.2016 1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7130 -1.1228 -2.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1373 -3.5912 1.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1313 -3.5091 -1.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8419 -4.7487 0.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3487 0.8106 -1.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0002 4.5139 -0.8194 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7911 -0.4705 2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 21 2 0 0 0 0 3 13 1 0 0 0 0 3 32 1 0 0 0 0 4 13 2 0 0 0 0 5 16 2 0 0 0 0 6 10 1 0 0 0 0 6 16 1 0 0 0 0 6 25 1 0 0 0 0 7 16 1 0 0 0 0 7 20 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 20 2 0 0 0 0 9 21 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 14 17 1 0 0 0 0 14 26 1 0 0 0 0 15 18 2 0 0 0 0 15 27 1 0 0 0 0 17 19 2 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 M END $$$$