BX8MB3 -OEChem-04022109122D 48 50 0 0 0 0 0 0 0999 V2000 4.5961 0.8362 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8757 -2.1704 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 -1.1637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 1.8604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8660 1.8604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9282 0.3604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0622 1.8604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7320 0.3604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.6396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4641 0.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3301 0.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5981 0.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1961 0.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2679 0.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2679 -0.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 0.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 0.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8660 0.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3740 -1.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3740 0.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 -0.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 -1.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 0.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0622 0.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 -0.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -1.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 -0.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0656 -0.1145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8626 -0.1145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7286 1.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9316 1.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9966 1.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1995 1.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7976 -0.1145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5947 -0.1145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7320 -0.2596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3812 -1.7942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3812 1.5150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 -1.7596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9322 0.6933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5970 2.1704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4651 0.6704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8617 1.4496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 -0.9858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 0.6342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 27 1 0 0 0 0 3 21 1 0 0 0 0 3 25 1 0 0 0 0 4 17 1 0 0 0 0 4 44 1 0 0 0 0 5 18 2 0 0 0 0 6 24 1 0 0 0 0 6 45 1 0 0 0 0 7 24 2 0 0 0 0 8 12 1 0 0 0 0 8 18 1 0 0 0 0 8 39 1 0 0 0 0 9 16 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 24 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 17 2 0 0 0 0 14 20 1 0 0 0 0 15 19 1 0 0 0 0 15 22 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 19 21 2 0 0 0 0 19 40 1 0 0 0 0 20 23 2 0 0 0 0 20 41 1 0 0 0 0 21 23 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 2 0 0 0 0 28 30 2 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 M END $$$$