@MOLECULE 5-amino-3-(4-chlorophenyl)-n-methyl-1h-1,2,4-triazole-1-carbothioamide 27 28 0 0 0 SMALL GASTEIGER @ATOM 1 CL -5.8755 -0.4901 -0.0025 Cl 1 UNL1111111111 -0.0881 2 S 4.8124 0.2401 -0.0145 S.2 1 UNL1111111111 -0.5055 3 N 2.1342 0.1807 0.0086 N.ar 1 UNL1111111111 -0.3120 4 N 0.9099 -0.4849 0.0083 N.ar 1 UNL1111111111 -0.3611 5 N 0.5194 1.7607 -0.0018 N.ar 1 UNL1111111111 -0.5375 6 N 3.1851 -1.9011 0.0058 N.am 1 UNL1111111111 -0.4200 7 N 2.7746 2.5858 0.0082 N.pl3 1 UNL1111111111 -0.5681 8 C -1.4717 0.2346 0.0005 C.ar 1 UNL1111111111 -0.0492 9 C -0.0364 0.4748 0.0023 C.ar 1 UNL1111111111 0.3031 10 C 1.8658 1.5892 0.0025 C.ar 1 UNL1111111111 0.5183 11 C -1.9604 -1.0778 -0.0043 C.ar 1 UNL1111111111 -0.0808 12 C -2.3549 1.3215 0.0038 C.ar 1 UNL1111111111 -0.0659 13 C 3.3281 -0.5608 0.0009 C.2 1 UNL1111111111 0.4812 14 C -3.3335 -1.3078 -0.0052 C.ar 1 UNL1111111111 -0.1935 15 C -3.7302 1.1008 0.0028 C.ar 1 UNL1111111111 -0.1935 16 C -4.1863 -0.2112 -0.0016 C.ar 1 UNL1111111111 0.0586 17 C 4.3426 -2.7960 0.0076 C.3 1 UNL1111111111 -0.2283 18 H -1.2637 -1.9193 -0.0071 H 1 UNL1111111111 0.1726 19 H -1.9576 2.3422 0.0072 H 1 UNL1111111111 0.1872 20 H -3.7204 -2.3262 -0.0088 H 1 UNL1111111111 0.1752 21 H -4.4226 1.9424 0.0054 H 1 UNL1111111111 0.1769 22 H 2.2595 -2.3312 0.0123 H 1 UNL1111111111 0.3416 23 H 2.4471 3.5373 0.0009 H 1 UNL1111111111 0.3348 24 H 3.7701 2.4098 0.0007 H 1 UNL1111111111 0.3543 25 H 4.9908 -2.6208 0.8907 H 1 UNL1111111111 0.1735 26 H 4.9668 -2.6538 -0.8981 H 1 UNL1111111111 0.1728 27 H 4.0002 -3.8446 0.0322 H 1 UNL1111111111 0.1530 @BOND 1 1 16 1 2 2 13 2 3 3 4 ar 4 3 10 ar 5 3 13 1 6 4 9 ar 7 5 9 ar 8 5 10 ar 9 6 13 1 10 6 17 1 11 6 22 1 12 7 10 1 13 7 23 1 14 7 24 1 15 8 9 1 16 8 11 ar 17 8 12 ar 18 11 14 ar 19 11 18 1 20 12 15 ar 21 12 19 1 22 14 16 ar 23 14 20 1 24 15 16 ar 25 15 21 1 26 17 25 1 27 17 26 1 28 17 27 1