@MOLECULE S-[(1R,2R)-2-methylcyclopropyl] cyclopentanecarbothioate 28 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.3126 -1.2028 0.3226 C.3 1 UNL111 -0.2524 2 C -3.8504 -1.1407 0.3201 C.3 1 UNL111 -0.2620 3 C -4.2389 0.3364 0.1068 C.3 1 UNL111 -0.2648 4 C -2.9311 1.1207 -0.0988 C.3 1 UNL111 -0.2573 5 C -1.8604 0.0626 -0.4343 C.3 1 UNL111 -0.1946 6 C -0.4930 0.5023 0.0014 C.2 1 UNL111 0.4223 7 O -0.2548 1.4549 0.6855 O.2 1 UNL111 -0.4234 8 S 0.8500 -0.5683 -0.6105 S.3 1 UNL111 -0.1041 9 C 2.3212 0.2503 0.0196 C.3 1 UNL111 -0.2270 10 H 2.0979 0.9135 0.8682 H 1 UNL111 0.1938 11 C 3.4177 0.6486 -0.9389 C.3 1 UNL111 -0.3285 12 C 3.6342 -0.5109 0.0092 C.3 1 UNL111 -0.1116 13 H 3.6595 -1.5245 -0.4126 H 1 UNL111 0.1600 14 C 4.5670 -0.3564 1.1798 C.3 1 UNL111 -0.4375 15 H -1.9282 -1.2033 1.3586 H 1 UNL111 0.1469 16 H -1.9401 -2.1252 -0.1501 H 1 UNL111 0.1444 17 H -4.2651 -1.7705 -0.4848 H 1 UNL111 0.1338 18 H -4.2651 -1.5336 1.2615 H 1 UNL111 0.1349 19 H -4.9031 0.4428 -0.7664 H 1 UNL111 0.1330 20 H -4.8023 0.7289 0.9685 H 1 UNL111 0.1360 21 H -3.0207 1.8755 -0.8943 H 1 UNL111 0.1385 22 H -2.6598 1.6754 0.8200 H 1 UNL111 0.1598 23 H -1.8756 -0.1333 -1.5349 H 1 UNL111 0.1695 24 H 3.3197 0.4665 -2.0064 H 1 UNL111 0.1660 25 H 3.9415 1.5888 -0.7801 H 1 UNL111 0.1641 26 H 4.5596 0.6596 1.5945 H 1 UNL111 0.1525 27 H 4.2953 -1.0416 1.9948 H 1 UNL111 0.1542 28 H 5.6029 -0.5805 0.8906 H 1 UNL111 0.1535 @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