@MOLECULE S-[(1R)-1-methylbutyl] cyclohexanecarbothioate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.1151 -1.3499 0.1220 C.3 1 UNL11111111 -0.2597 2 C -3.5220 -1.6708 -0.3958 C.3 1 UNL11111111 -0.2613 3 C -4.5386 -0.6569 0.1453 C.3 1 UNL11111111 -0.2650 4 C -4.1422 0.7698 -0.2567 C.3 1 UNL11111111 -0.2608 5 C -2.7359 1.1027 0.2549 C.3 1 UNL11111111 -0.2618 6 C -1.7183 0.0814 -0.2853 C.3 1 UNL11111111 -0.1894 7 C -0.3753 0.3808 0.3311 C.2 1 UNL11111111 0.4259 8 O -0.1692 0.4256 1.5108 O.2 1 UNL11111111 -0.4398 9 S 0.9560 0.6680 -0.8663 S.3 1 UNL11111111 -0.1747 10 C 2.4454 0.9423 0.2139 C.3 1 UNL11111111 -0.0921 11 H 2.1343 0.7519 1.2730 H 1 UNL11111111 0.1741 12 C 2.8983 2.3880 0.0676 C.3 1 UNL11111111 -0.4556 13 C 3.5572 -0.0295 -0.1819 C.3 1 UNL11111111 -0.2876 14 C 3.2563 -1.4717 0.2494 C.3 1 UNL11111111 -0.2493 15 C 4.4706 -2.3689 0.0081 C.3 1 UNL11111111 -0.4406 16 H -2.0849 -1.4508 1.2254 H 1 UNL11111111 0.1548 17 H -1.3853 -2.0793 -0.2754 H 1 UNL11111111 0.1395 18 H -3.5314 -1.6635 -1.5018 H 1 UNL11111111 0.1371 19 H -3.8102 -2.6953 -0.0960 H 1 UNL11111111 0.1329 20 H -5.5495 -0.8917 -0.2333 H 1 UNL11111111 0.1295 21 H -4.5994 -0.7352 1.2473 H 1 UNL11111111 0.1399 22 H -4.1832 0.8787 -1.3566 H 1 UNL11111111 0.1368 23 H -4.8721 1.4950 0.1484 H 1 UNL11111111 0.1332 24 H -2.4508 2.1261 -0.0511 H 1 UNL11111111 0.1385 25 H -2.7242 1.0974 1.3635 H 1 UNL11111111 0.1561 26 H -1.7004 0.1477 -1.4009 H 1 UNL11111111 0.1672 27 H 3.7492 2.5995 0.7301 H 1 UNL11111111 0.1516 28 H 3.2204 2.6292 -0.9533 H 1 UNL11111111 0.1545 29 H 2.1076 3.1014 0.3383 H 1 UNL11111111 0.1594 30 H 3.7593 0.0063 -1.2700 H 1 UNL11111111 0.1490 31 H 4.5057 0.3000 0.2933 H 1 UNL11111111 0.1471 32 H 2.9716 -1.5003 1.3187 H 1 UNL11111111 0.1391 33 H 2.3865 -1.8711 -0.3067 H 1 UNL11111111 0.1451 34 H 4.2577 -3.4056 0.2923 H 1 UNL11111111 0.1423 35 H 4.7619 -2.3709 -1.0483 H 1 UNL11111111 0.1423 36 H 5.3383 -2.0407 0.5907 H 1 UNL11111111 0.1418 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 1 6 1 7 6 7 1 8 7 8 2 9 7 9 1 10 9 10 1 11 10 11 1 12 10 12 1 13 10 13 1 14 13 14 1 15 14 15 1 16 1 16 1 17 1 17 1 18 2 18 1 19 2 19 1 20 3 20 1 21 3 21 1 22 4 22 1 23 4 23 1 24 5 24 1 25 5 25 1 26 6 26 1 27 12 27 1 28 12 28 1 29 12 29 1 30 13 30 1 31 13 31 1 32 14 32 1 33 14 33 1 34 15 34 1 35 15 35 1 36 15 36 1