@MOLECULE (2z)-2-(carbamothioylhydrazono)propanoic acid 17 16 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.1200 -0.8917 0.0434 S.2 1 UNL1111111111 -0.4680 2 O 1.4500 -1.6758 -0.2707 O.3 1 UNL1111111111 -0.5957 3 O 3.4415 -0.8488 0.2864 O.2 1 UNL1111111111 -0.4493 4 N 0.3147 0.9236 -0.0369 N.2 1 UNL1111111111 -0.1437 5 N -0.6259 -0.0416 0.0048 N.am 1 UNL1111111111 -0.3754 6 N -2.2866 1.6552 0.0196 N.am 1 UNL1111111111 -0.5692 7 C 1.5851 0.6649 -0.0362 C.2 1 UNL1111111111 0.0014 8 C 2.5202 1.8303 -0.0832 C.3 1 UNL1111111111 -0.4174 9 C 2.2895 -0.6445 0.0230 C.2 1 UNL1111111111 0.6128 10 C -1.9742 0.3348 0.0175 C.2 1 UNL1111111111 0.4923 11 H 3.2433 1.7942 0.7500 H 1 UNL1111111111 0.1801 12 H 1.9964 2.7968 -0.0220 H 1 UNL1111111111 0.1720 13 H 3.1047 1.8338 -1.0179 H 1 UNL1111111111 0.1734 14 H -0.3706 -1.0429 -0.0342 H 1 UNL1111111111 0.3580 15 H -1.5827 2.3723 0.0009 H 1 UNL1111111111 0.3204 16 H -3.2477 1.9514 0.0381 H 1 UNL1111111111 0.3319 17 H 1.8725 -2.5712 -0.2306 H 1 UNL1111111111 0.3763 @BOND 1 1 10 2 2 2 9 1 3 2 17 1 4 3 9 2 5 4 5 1 6 4 7 2 7 5 10 1 8 5 14 1 9 6 10 1 10 6 15 1 11 6 16 1 12 7 8 1 13 7 9 1 14 8 11 1 15 8 12 1 16 8 13 1