@MOLECULE 1-isothiocyanato-2-methylcyclopropane 14 14 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.1791 0.3125 -0.2256 C.3 1 UNL11111111 -0.1370 2 H 3.1171 0.3101 -0.7986 H 1 UNL11111111 0.1636 3 C 1.6026 1.6897 -0.0806 C.3 1 UNL11111111 -0.4381 4 C 2.0309 -0.6928 0.8935 C.3 1 UNL11111111 -0.3572 5 C 1.2757 -0.9199 -0.4097 C.3 1 UNL11111111 0.0685 6 H 1.6138 -1.7233 -1.0928 H 1 UNL11111111 0.1849 7 N -0.1165 -0.8084 -0.4445 N.2 1 UNL11111111 -0.3850 8 C -1.1428 -0.2826 -0.1241 C.1 1 UNL11111111 0.3172 9 S -2.5988 0.2182 0.1450 S.2 1 UNL11111111 -0.2412 10 H 2.3170 2.3648 0.4131 H 1 UNL11111111 0.1603 11 H 1.3605 2.1295 -1.0593 H 1 UNL11111111 0.1608 12 H 0.6826 1.7127 0.5181 H 1 UNL11111111 0.1569 13 H 2.8537 -1.3538 1.1523 H 1 UNL11111111 0.1704 14 H 1.4878 -0.4185 1.7952 H 1 UNL11111111 0.1760 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 5 1 7 5 7 1 8 7 8 2 9 8 9 2 10 3 10 1 11 3 11 1 12 3 12 1 13 4 13 1 14 4 14 1