@MOLECULE S-pentyl cyclopropanecarbothioate 27 27 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.2481 0.2534 -0.9658 C.3 1 UNL111 -0.2735 2 C -4.5574 -0.5047 0.2927 C.3 1 UNL111 -0.2740 3 C -3.3313 0.3923 0.2393 C.3 1 UNL111 -0.2790 4 C -2.0045 -0.2585 0.1580 C.2 1 UNL111 0.4382 5 O -1.8217 -1.4409 0.0719 O.2 1 UNL111 -0.4330 6 S -0.6167 0.9041 0.1748 S.3 1 UNL111 -0.1153 7 C 0.8165 -0.2458 0.0805 C.3 1 UNL111 -0.2924 8 C 2.1103 0.5585 0.0441 C.3 1 UNL111 -0.2703 9 C 3.3103 -0.3980 -0.0436 C.3 1 UNL111 -0.2701 10 C 4.6265 0.3895 -0.0787 C.3 1 UNL111 -0.2503 11 C 5.8230 -0.5587 -0.1556 C.3 1 UNL111 -0.4378 12 H -3.8980 -0.2827 -1.8470 H 1 UNL111 0.1668 13 H -4.8608 1.1014 -1.2626 H 1 UNL111 0.1611 14 H -5.3990 -0.2171 0.9170 H 1 UNL111 0.1589 15 H -4.4182 -1.5870 0.3193 H 1 UNL111 0.1761 16 H -3.3556 1.3325 0.8063 H 1 UNL111 0.1862 17 H 0.7930 -0.9298 0.9505 H 1 UNL111 0.1668 18 H 0.7138 -0.8852 -0.8172 H 1 UNL111 0.1671 19 H 2.1277 1.2524 -0.8205 H 1 UNL111 0.1484 20 H 2.2119 1.1949 0.9463 H 1 UNL111 0.1483 21 H 3.3087 -1.0925 0.8175 H 1 UNL111 0.1406 22 H 3.2269 -1.0325 -0.9458 H 1 UNL111 0.1406 23 H 4.6341 1.0784 -0.9446 H 1 UNL111 0.1347 24 H 4.7102 1.0314 0.8186 H 1 UNL111 0.1347 25 H 5.8590 -1.2303 0.7096 H 1 UNL111 0.1434 26 H 5.7831 -1.1831 -1.0552 H 1 UNL111 0.1433 27 H 6.7676 -0.0045 -0.1813 H 1 UNL111 0.1404 @BOND 1 1 2 1 2 2 3 1 3 1 3 1 4 3 4 1 5 4 5 2 6 4 6 1 7 6 7 1 8 7 8 1 9 8 9 1 10 9 10 1 11 10 11 1 12 1 12 1 13 1 13 1 14 2 14 1 15 2 15 1 16 3 16 1 17 7 17 1 18 7 18 1 19 8 19 1 20 8 20 1 21 9 21 1 22 9 22 1 23 10 23 1 24 10 24 1 25 11 25 1 26 11 26 1 27 11 27 1