@MOLECULE 4-(4-bromophenyl)thiosemicarbazide 20 20 0 0 0 SMALL GASTEIGER @ATOM 1 BR -3.6437 -0.0772 -0.0166 Br 1 UNL111111111111111 -0.0524 2 S 2.9882 -1.7708 -0.5275 S.2 1 UNL111111111111111 -0.4907 3 N 2.3687 0.7662 0.2126 N.am 1 UNL111111111111111 -0.4766 4 N 4.6429 0.1352 0.2044 N.am 1 UNL111111111111111 -0.4106 5 N 4.9397 1.5264 0.2800 N.3 1 UNL111111111111111 -0.4781 6 C 0.9654 0.5230 0.1535 C.ar 1 UNL111111111111111 0.1823 7 C 0.1874 1.3744 -0.6439 C.ar 1 UNL111111111111111 -0.1912 8 C 0.3761 -0.4974 0.9087 C.ar 1 UNL111111111111111 -0.1450 9 C -1.1919 1.1944 -0.6904 C.ar 1 UNL111111111111111 -0.1288 10 C -1.0037 -0.6781 0.8523 C.ar 1 UNL111111111111111 -0.1270 11 C -1.7640 0.1702 0.0557 C.ar 1 UNL111111111111111 -0.0348 12 C 3.3017 -0.1939 -0.0404 C.2 1 UNL111111111111111 0.4722 13 H 0.6564 2.1599 -1.2339 H 1 UNL111111111111111 0.1680 14 H 0.9865 -1.1511 1.5360 H 1 UNL111111111111111 0.1880 15 H 2.6673 1.7348 0.3518 H 1 UNL111111111111111 0.3387 16 H -1.8008 1.8509 -1.3136 H 1 UNL111111111111111 0.1704 17 H -1.4646 -1.4814 1.4301 H 1 UNL111111111111111 0.1748 18 H 5.3500 -0.4475 -0.2607 H 1 UNL111111111111111 0.3205 19 H 5.6440 1.7856 -0.4079 H 1 UNL111111111111111 0.2523 20 H 5.3142 1.7042 1.2153 H 1 UNL111111111111111 0.2680 @BOND 1 1 11 1 2 2 12 2 3 3 6 1 4 3 12 1 5 3 15 1 6 4 5 1 7 4 12 1 8 4 18 1 9 5 19 1 10 5 20 1 11 6 7 ar 12 6 8 ar 13 7 9 ar 14 7 13 1 15 8 10 ar 16 8 14 1 17 9 11 ar 18 9 16 1 19 10 11 ar 20 10 17 1