BS91AU -OEChem-04022102342D 42 46 0 1 0 0 0 0 0999 V2000 5.6464 -0.7576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6452 2.1936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0480 -0.1983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 -1.9550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7443 2.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4818 0.7027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4257 1.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4001 1.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2711 4.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8893 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1721 3.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0480 -0.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6715 -0.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4245 -0.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4489 -1.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5480 -2.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4541 -3.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3185 -2.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4757 -3.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3102 -4.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2487 -3.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3643 2.6288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8950 0.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6795 0.4673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9678 1.3340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 2.5253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8536 1.6804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5238 4.5859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6978 4.2559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3532 0.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2088 0.5696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7453 3.3497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4248 4.1520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1859 0.4062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4894 0.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0379 -0.4954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8659 -1.2491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 -2.2530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1995 -4.1252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2615 -4.6378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7623 -3.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 7 3 1 1 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 4 17 1 0 0 0 0 5 20 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 19 2 0 0 0 0 17 18 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 M END $$$$