@MOLECULE S-[(1S,2S)-2-methylcyclopropyl] cyclopentanecarbothioate 28 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.3165 -1.1651 0.2536 C.3 1 UNL111 -0.2535 2 C -3.8531 -1.0792 0.2830 C.3 1 UNL111 -0.2611 3 C -4.2273 0.3971 0.0421 C.3 1 UNL111 -0.2648 4 C -2.9128 1.1655 -0.1764 C.3 1 UNL111 -0.2573 5 C -1.8527 0.0946 -0.5056 C.3 1 UNL111 -0.1939 6 C -0.4834 0.5251 -0.0656 C.2 1 UNL111 0.4213 7 O -0.2389 1.5068 0.5739 O.2 1 UNL111 -0.4236 8 S 0.8559 -0.5906 -0.6020 S.3 1 UNL111 -0.1036 9 C 2.2958 0.1464 0.1820 C.3 1 UNL111 -0.2273 10 H 2.1716 1.2276 0.3407 H 1 UNL111 0.1931 11 C 3.0877 -0.6418 1.1980 C.3 1 UNL111 -0.3278 12 C 3.6694 -0.3897 -0.1761 C.3 1 UNL111 -0.1109 13 H 3.7466 -1.2406 -0.8663 H 1 UNL111 0.1600 14 C 4.8010 0.5871 -0.3471 C.3 1 UNL111 -0.4375 15 H -1.9118 -1.1795 1.2818 H 1 UNL111 0.1466 16 H -1.9698 -2.0916 -0.2311 H 1 UNL111 0.1444 17 H -4.2957 -1.7234 -0.4948 H 1 UNL111 0.1335 18 H -4.2505 -1.4415 1.2443 H 1 UNL111 0.1350 19 H -4.8897 0.4937 -0.8338 H 1 UNL111 0.1329 20 H -4.7880 0.8104 0.8959 H 1 UNL111 0.1360 21 H -2.9984 1.9130 -0.9791 H 1 UNL111 0.1385 22 H -2.6322 1.7272 0.7357 H 1 UNL111 0.1600 23 H -1.8636 -0.1032 -1.6060 H 1 UNL111 0.1695 24 H 3.4929 -0.1260 2.0659 H 1 UNL111 0.1642 25 H 2.7863 -1.6468 1.4830 H 1 UNL111 0.1658 26 H 5.7707 0.1035 -0.1662 H 1 UNL111 0.1536 27 H 4.8195 0.9945 -1.3678 H 1 UNL111 0.1544 28 H 4.7308 1.4400 0.3401 H 1 UNL111 0.1526 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 1 5 1 6 5 6 1 7 6 7 2 8 6 8 1 9 8 9 1 10 9 10 1 11 9 11 1 12 11 12 1 13 12 13 1 14 9 12 1 15 12 14 1 16 1 15 1 17 1 16 1 18 2 17 1 19 2 18 1 20 3 19 1 21 3 20 1 22 4 21 1 23 4 22 1 24 5 23 1 25 11 24 1 26 11 25 1 27 14 26 1 28 14 27 1 29 14 28 1