BPN3O1 -OEChem-04012113033D 26 27 0 1 0 0 0 0 0999 V2000 2.9370 -1.3113 -0.3848 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2503 -2.4264 -0.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0756 -1.8279 0.3095 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6318 1.2027 -1.9483 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1217 2.8663 -0.6021 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1077 -2.8039 -0.4733 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2652 2.7958 0.7558 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7557 0.6886 0.7497 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4249 0.5183 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9584 -0.7388 0.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8283 1.5714 0.0871 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2391 -1.1792 0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8709 -1.8280 0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5357 -0.5061 0.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6807 1.9695 -0.8263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9013 0.0234 0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1028 0.9855 0.6767 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2721 0.3033 1.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6374 0.9172 1.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6587 1.2080 -0.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3878 -3.6959 -0.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0418 2.5855 1.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6282 3.4531 0.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9695 0.0408 -0.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4558 1.9302 1.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1137 1.4581 -2.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 3 13 2 0 0 0 0 4 15 1 0 0 0 0 4 26 1 0 0 0 0 5 15 2 0 0 0 0 6 13 1 0 0 0 0 6 21 1 0 0 0 0 7 11 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 14 2 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 15 1 0 0 0 0 11 20 1 0 0 0 0 12 14 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 M END $$$$