BVXM96 -OEChem-04022106412D 40 41 0 0 0 0 0 0 0999 V2000 4.5032 -4.0352 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 1.5036 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0064 0.9127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4712 -0.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 -0.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1897 3.3307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5910 2.3126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 -0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3122 0.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 0.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0032 1.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 0.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3692 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 0.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3692 -2.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 -2.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 -3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1843 3.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9575 0.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7720 4.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7006 1.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9062 -1.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1003 -1.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2076 2.2478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9062 -2.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1003 -2.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4149 1.3734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5392 1.3276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 0.4519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6664 0.0562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4461 0.2220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2736 3.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1365 4.5368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2705 4.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1155 0.8121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1614 1.6877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2858 1.7336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 3 13 1 0 0 0 0 3 22 1 0 0 0 0 4 13 2 0 0 0 0 5 16 2 0 0 0 0 6 21 2 0 0 0 0 7 12 1 0 0 0 0 7 21 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 16 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 14 17 1 0 0 0 0 14 25 1 0 0 0 0 15 18 2 0 0 0 0 15 26 1 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 17 28 1 0 0 0 0 18 20 1 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 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$