B1KVN9 -OEChem-04042104313D 20 20 0 0 0 0 0 0 0999 V2000 -0.8137 -2.6550 -0.4005 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1069 2.1702 -0.6572 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9319 -0.2232 0.1330 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2751 -0.0613 0.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 -1.3717 0.4993 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4475 0.0022 0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3499 -1.0353 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9158 1.2986 0.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7204 -0.7761 -0.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2863 1.5576 0.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1886 0.5203 0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0545 0.5736 -0.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2753 2.1276 0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1691 -1.2102 0.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4369 -1.5733 -0.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6530 2.5631 0.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2559 0.7214 0.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1466 0.4322 -0.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9175 -1.3654 1.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8975 -1.8819 -0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 12 2 0 0 0 0 3 6 1 0 0 0 0 3 12 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 4 18 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 M END $$$$