@MOLECULE isothiazolidinone 11 11 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.4810 0.5057 0.0027 S.3 1 UNL1111111111 0.2736 2 O -2.3252 0.3017 -0.0048 O.2 1 UNL1111111111 -0.5038 3 N -0.1928 1.0617 -0.0001 N.am 1 UNL1111111111 -0.6992 4 C -0.5315 -1.3323 0.0122 C.3 1 UNL1111111111 -0.3570 5 C 0.9918 -1.2737 -0.0127 C.3 1 UNL1111111111 -0.3413 6 C -1.1409 0.0590 0.0005 C.2 1 UNL1111111111 0.5898 7 H -0.9053 -1.8722 0.9089 H 1 UNL1111111111 0.1839 8 H -0.9326 -1.9011 -0.8542 H 1 UNL1111111111 0.1841 9 H 1.4388 -1.7843 0.8582 H 1 UNL1111111111 0.1658 10 H 1.4069 -1.7596 -0.9131 H 1 UNL1111111111 0.1656 11 H -0.4188 2.0394 -0.0082 H 1 UNL1111111111 0.3384 @BOND 1 1 3 1 2 1 5 1 3 2 6 2 4 3 6 am 5 3 11 1 6 4 5 1 7 4 6 1 8 4 7 1 9 4 8 1 10 5 9 1 11 5 10 1