@MOLECULE 2-isothiocyanato-1,1-dimethylcyclopropane 17 17 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.7942 -0.2347 -0.0581 C.3 1 UNL11111111 0.0480 2 C -3.1121 -0.2992 0.6667 C.3 1 UNL11111111 -0.4478 3 C -1.1831 -1.5855 -0.3054 C.3 1 UNL11111111 -0.4502 4 C -1.5779 0.8639 -1.0788 C.3 1 UNL11111111 -0.3705 5 C -0.8881 0.9753 0.2740 C.3 1 UNL11111111 0.0476 6 H -1.2547 1.7265 0.9996 H 1 UNL11111111 0.1856 7 N 0.4985 0.8427 0.3685 N.2 1 UNL11111111 -0.3810 8 C 1.5274 0.2744 0.1490 C.1 1 UNL11111111 0.3166 9 S 2.9845 -0.2747 -0.0028 S.2 1 UNL11111111 -0.2498 10 H -3.0005 -0.7700 1.6538 H 1 UNL11111111 0.1602 11 H -3.5619 0.6886 0.8264 H 1 UNL11111111 0.1516 12 H -3.8432 -0.8953 0.1019 H 1 UNL11111111 0.1605 13 H -1.8842 -2.2451 -0.8370 H 1 UNL11111111 0.1619 14 H -0.2723 -1.5412 -0.9170 H 1 UNL11111111 0.1578 15 H -0.9175 -2.0849 0.6376 H 1 UNL11111111 0.1625 16 H -0.9931 0.6602 -1.9725 H 1 UNL11111111 0.1754 17 H -2.3807 1.5547 -1.3215 H 1 UNL11111111 0.1717 @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 2 10 1 11 2 11 1 12 2 12 1 13 3 13 1 14 3 14 1 15 3 15 1 16 4 16 1 17 4 17 1