@MOLECULE 1-cinnamylidenethiosemicarbazide 25 25 0 0 0 SMALL GASTEIGER @ATOM 1 S 4.0014 1.7971 0.0504 S.2 1 UNL111111 -0.5127 2 N 2.0131 -1.5603 -0.1009 N.2 1 UNL111111 -0.1934 3 N 2.3288 -0.2327 -0.1139 N.am 1 UNL111111 -0.3965 4 N 4.6109 -0.8169 0.1331 N.am 1 UNL111111 -0.5708 5 C -2.6630 -0.3560 0.2004 C.ar 1 UNL111111 -0.0314 6 C -2.5307 1.0292 0.0678 C.ar 1 UNL111111 -0.1441 7 C -3.9324 -0.9412 0.1724 C.ar 1 UNL111111 -0.1473 8 C -1.4813 -1.2010 0.3766 C.2 1 UNL111111 -0.0930 9 C -3.6632 1.8230 -0.0976 C.ar 1 UNL111111 -0.1381 10 C -5.0605 -0.1437 -0.0014 C.ar 1 UNL111111 -0.1438 11 C -4.9274 1.2379 -0.1359 C.ar 1 UNL111111 -0.1441 12 C -0.4038 -1.1034 -0.4120 C.2 1 UNL111111 -0.2366 13 C 0.7815 -1.9403 -0.2241 C.2 1 UNL111111 -0.0302 14 C 3.6590 0.1441 0.0290 C.2 1 UNL111111 0.5005 15 H -1.5444 1.4891 0.1028 H 1 UNL111111 0.1564 16 H -4.0381 -2.0192 0.2780 H 1 UNL111111 0.1532 17 H -1.5352 -1.9176 1.2011 H 1 UNL111111 0.1610 18 H -3.5596 2.9024 -0.1977 H 1 UNL111111 0.1548 19 H -6.0486 -0.6000 -0.0310 H 1 UNL111111 0.1519 20 H -5.8115 1.8588 -0.2691 H 1 UNL111111 0.1522 21 H -0.3630 -0.4046 -1.2518 H 1 UNL111111 0.1739 22 H 0.6215 -3.0313 -0.1913 H 1 UNL111111 0.1903 23 H 1.6005 0.4865 -0.1652 H 1 UNL111111 0.3347 24 H 5.5799 -0.5664 0.2281 H 1 UNL111111 0.3316 25 H 4.3823 -1.7959 0.1223 H 1 UNL111111 0.3214 @BOND 1 1 14 2 2 2 3 1 3 2 13 2 4 3 14 1 5 3 23 1 6 4 14 1 7 4 24 1 8 4 25 1 9 5 6 ar 10 5 7 ar 11 5 8 1 12 6 9 ar 13 6 15 1 14 7 10 ar 15 7 16 1 16 8 12 2 17 8 17 1 18 9 11 ar 19 9 18 1 20 10 11 ar 21 10 19 1 22 11 20 1 23 12 13 1 24 12 21 1 25 13 22 1