thiothixene CDK 0222172005 30 33 0 0 0 0 0 0 0 0999 V2000 5.7826 1.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0681 1.4172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0681 2.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3536 1.0047 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9411 1.7192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7661 0.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6392 0.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9247 1.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2102 0.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2102 -0.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4958 -0.6453 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7813 -0.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0668 -0.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6476 -0.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6476 0.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0668 1.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7813 0.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4958 1.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4958 1.8297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2102 2.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2102 3.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9247 3.4797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9247 4.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6392 4.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3536 4.3047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0681 4.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3536 3.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6392 3.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9247 -0.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6392 -0.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 12 17 1 0 0 0 0 17 18 1 0 0 0 0 9 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 22 28 1 0 0 0 0 10 29 1 0 0 0 0 29 30 2 0 0 0 0 7 30 1 0 0 0 0 M END