C3H7NO4S APtclcactv04252416503D 0 0.00000 0.00000 16 15 0 0 0 0 0 0 0 0999 V2000 0.1786 0.6090 -0.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2735 -2.1949 0.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 -1.8700 -0.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8071 -0.5612 -0.8139 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 -1.1378 -0.1031 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8468 1.2775 0.4113 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7469 1.0531 -0.5156 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2461 0.1577 -0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7278 1.4667 0.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6873 0.9455 -0.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 -0.2027 0.4818 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6326 -1.6362 0.2677 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8326 0.1751 0.3269 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8043 0.0219 1.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1109 0.3843 -1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 1.6726 -0.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 1 13 1 0 0 0 0 6 8 1 0 0 0 0 4 8 2 0 0 0 0 7 13 1 0 0 0 0 5 13 2 0 0 0 0 11 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 12 1 0 0 0 0 3 12 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 M END $$$$ C3H7NO4S APtclcactv04252416503D 0 0.00000 0.00000 16 15 0 0 0 0 0 0 0 0999 V2000 -0.1948 -0.6360 -0.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7774 0.5835 -0.7987 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 1.1345 -0.1472 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8363 -1.2783 0.3901 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2227 -0.1582 -0.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2682 2.1427 0.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 1.8309 0.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6485 1.8366 -0.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7211 -1.4490 0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8419 0.1742 0.4811 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7915 -1.0488 -0.4873 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8569 -0.2358 0.3070 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5845 1.6084 0.2943 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7727 -0.0723 1.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1256 -0.3895 -1.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0038 -1.7001 -0.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 11 12 1 0 0 0 0 3 12 2 0 0 0 0 1 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 2 5 2 0 0 0 0 10 13 1 0 0 0 0 6 13 1 0 0 0 0 7 13 1 0 0 0 0 8 13 1 0 0 0 0 1 10 1 0 0 0 0 5 10 1 0 0 0 0 10 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 M CHG 2 11 -1 13 1 M END $$$$