@MOLECULE S-[(1S,2S)-2-methylcyclobutyl] cyclopentanecarbothioate 31 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.5418 1.1864 0.1452 C.3 1 UNL111 -0.2532 2 C -4.0781 1.1359 0.1131 C.3 1 UNL111 -0.2620 3 C -4.4637 -0.3148 -0.2348 C.3 1 UNL111 -0.2637 4 C -3.1788 -1.1591 -0.1566 C.3 1 UNL111 -0.2602 5 C -2.1032 -0.2540 0.4792 C.3 1 UNL111 -0.1931 6 C -0.7379 -0.5483 -0.0717 C.2 1 UNL111 0.4256 7 O -0.5020 -1.3002 -0.9730 O.2 1 UNL111 -0.4296 8 S 0.6099 0.3522 0.7595 S.3 1 UNL111 -0.1523 9 C 2.0609 -0.0934 -0.2474 C.3 1 UNL111 -0.1595 10 H 1.8901 -1.0701 -0.7377 H 1 UNL111 0.1770 11 C 3.4091 -0.0120 0.5322 C.3 1 UNL111 -0.0830 12 H 3.3213 0.4021 1.5526 H 1 UNL111 0.1456 13 C 4.1862 -1.3124 0.5560 C.3 1 UNL111 -0.4543 14 C 3.9200 1.0445 -0.4946 C.3 1 UNL111 -0.2947 15 C 2.5527 1.0039 -1.2238 C.3 1 UNL111 -0.2782 16 H -2.1462 1.5055 -0.8360 H 1 UNL111 0.1465 17 H -2.1720 1.9149 0.8841 H 1 UNL111 0.1451 18 H -4.4974 1.4248 1.0916 H 1 UNL111 0.1342 19 H -4.4871 1.8496 -0.6189 H 1 UNL111 0.1348 20 H -5.2312 -0.6931 0.4591 H 1 UNL111 0.1327 21 H -4.9075 -0.3742 -1.2423 H 1 UNL111 0.1362 22 H -3.3263 -2.0791 0.4291 H 1 UNL111 0.1380 23 H -2.8696 -1.4896 -1.1668 H 1 UNL111 0.1601 24 H -2.1128 -0.4003 1.5877 H 1 UNL111 0.1691 25 H 4.3108 -1.7374 -0.4475 H 1 UNL111 0.1513 26 H 5.1894 -1.1672 0.9754 H 1 UNL111 0.1497 27 H 3.6782 -2.0674 1.1696 H 1 UNL111 0.1525 28 H 4.1739 2.0117 -0.0565 H 1 UNL111 0.1411 29 H 4.7665 0.7143 -1.1004 H 1 UNL111 0.1449 30 H 2.6010 0.6785 -2.2678 H 1 UNL111 0.1469 31 H 2.0023 1.9492 -1.2010 H 1 UNL111 0.1525 @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 11 13 1 14 11 14 1 15 14 15 1 16 9 15 1 17 1 16 1 18 1 17 1 19 2 18 1 20 2 19 1 21 3 20 1 22 3 21 1 23 4 22 1 24 4 23 1 25 5 24 1 26 13 25 1 27 13 26 1 28 13 27 1 29 14 28 1 30 14 29 1 31 15 30 1 32 15 31 1