@MOLECULE 1-isothiocyanato-3-methylcyclobutane 17 17 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.5573 -0.4429 1.1156 C.3 1 UNL11111111 -0.3329 2 C -2.4036 0.2601 0.0139 C.3 1 UNL11111111 -0.0729 3 H -3.4671 -0.0371 0.0425 H 1 UNL11111111 0.1390 4 C -2.2693 1.7676 -0.0243 C.3 1 UNL11111111 -0.4542 5 C -1.6019 -0.4916 -1.0890 C.3 1 UNL11111111 -0.3308 6 C -0.7783 -1.2342 0.0138 C.3 1 UNL11111111 0.1465 7 H -0.9446 -2.3357 0.0405 H 1 UNL11111111 0.1621 8 N 0.6160 -0.9928 -0.0210 N.2 1 UNL11111111 -0.4208 9 C 1.5557 -0.2536 -0.0051 C.1 1 UNL11111111 0.3265 10 S 2.9210 0.5092 -0.0010 S.2 1 UNL11111111 -0.2523 11 H -0.9435 0.2319 1.7182 H 1 UNL11111111 0.1627 12 H -2.1258 -1.0749 1.8007 H 1 UNL11111111 0.1531 13 H -1.2207 2.0910 -0.0488 H 1 UNL11111111 0.1546 14 H -2.7587 2.1889 -0.9118 H 1 UNL11111111 0.1518 15 H -2.7314 2.2329 0.8555 H 1 UNL11111111 0.1518 16 H -2.1971 -1.1521 -1.7226 H 1 UNL11111111 0.1529 17 H -1.0131 0.1550 -1.7450 H 1 UNL11111111 0.1630 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 1 6 1 8 6 8 1 9 8 9 2 10 9 10 2 11 1 11 1 12 1 12 1 13 4 13 1 14 4 14 1 15 4 15 1 16 5 16 1 17 5 17 1