@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 0.0481 2 C -1.1826 1.5850 -0.3063 C.3 1 UNL11111111 -0.4502 3 C -3.1121 0.3005 0.6666 C.3 1 UNL11111111 -0.4479 4 C -1.5787 -0.8650 -1.0778 C.3 1 UNL11111111 -0.3704 5 C -0.8883 -0.9751 0.2748 C.3 1 UNL11111111 0.0477 6 H -1.2548 -1.7252 1.0015 H 1 UNL11111111 0.1856 7 N 0.4986 -0.8431 0.3677 N.2 1 UNL11111111 -0.3810 8 C 1.5275 -0.2745 0.1488 C.1 1 UNL11111111 0.3166 9 S 2.9846 0.2748 -0.0027 S.2 1 UNL11111111 -0.2500 10 H -0.9168 2.0851 0.6362 H 1 UNL11111111 0.1625 11 H -0.2715 1.5401 -0.9172 H 1 UNL11111111 0.1578 12 H -1.8834 2.2442 -0.8386 H 1 UNL11111111 0.1620 13 H -3.8428 0.8973 0.1020 H 1 UNL11111111 0.1605 14 H -3.5633 -0.6866 0.8258 H 1 UNL11111111 0.1516 15 H -3.0004 0.7714 1.6536 H 1 UNL11111111 0.1602 16 H -2.3819 -1.5557 -1.3194 H 1 UNL11111111 0.1717 17 H -0.9944 -0.6628 -1.9721 H 1 UNL11111111 0.1754 @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