@MOLECULE S-cyclohexyl (2S)-2-methylpentanethioate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.3377 0.6272 -0.2128 C.3 1 UNL11111111 -0.1737 2 H 2.3755 0.6627 -1.3303 H 1 UNL11111111 0.1668 3 C 2.7080 2.0030 0.3476 C.3 1 UNL11111111 -0.4389 4 C 3.2951 -0.4721 0.2821 C.3 1 UNL11111111 -0.2708 5 C 4.6444 -0.4102 -0.4434 C.3 1 UNL11111111 -0.2476 6 C 5.5884 -1.4886 0.0877 C.3 1 UNL11111111 -0.4404 7 C 0.9518 0.2968 0.2903 C.2 1 UNL11111111 0.4358 8 O 0.7027 -0.0710 1.4020 O.2 1 UNL11111111 -0.4357 9 S -0.3614 0.5105 -0.9461 S.3 1 UNL11111111 -0.1907 10 C -1.8960 0.0337 -0.0187 C.3 1 UNL11111111 -0.1051 11 C -2.9313 1.1509 -0.1580 C.3 1 UNL11111111 -0.2785 12 C -4.2024 0.7637 0.6160 C.3 1 UNL11111111 -0.2623 13 C -4.7627 -0.5680 0.1009 C.3 1 UNL11111111 -0.2661 14 C -3.7070 -1.6752 0.2084 C.3 1 UNL11111111 -0.2633 15 C -2.4361 -1.2886 -0.5654 C.3 1 UNL11111111 -0.2773 16 H 2.6562 2.0191 1.4448 H 1 UNL11111111 0.1594 17 H 3.7309 2.2803 0.0669 H 1 UNL11111111 0.1528 18 H 2.0430 2.7898 -0.0293 H 1 UNL11111111 0.1539 19 H 3.4415 -0.3808 1.3765 H 1 UNL11111111 0.1560 20 H 2.8368 -1.4698 0.1315 H 1 UNL11111111 0.1467 21 H 4.4983 -0.5390 -1.5330 H 1 UNL11111111 0.1349 22 H 5.1042 0.5879 -0.3142 H 1 UNL11111111 0.1347 23 H 6.5559 -1.4579 -0.4254 H 1 UNL11111111 0.1404 24 H 5.7806 -1.3614 1.1595 H 1 UNL11111111 0.1449 25 H 5.1727 -2.4927 -0.0554 H 1 UNL11111111 0.1449 26 H -1.6198 -0.0916 1.0592 H 1 UNL11111111 0.1744 27 H -2.5396 2.1109 0.2295 H 1 UNL11111111 0.1450 28 H -3.1874 1.3303 -1.2204 H 1 UNL11111111 0.1473 29 H -3.9789 0.6887 1.6970 H 1 UNL11111111 0.1403 30 H -4.9617 1.5609 0.5160 H 1 UNL11111111 0.1339 31 H -5.6659 -0.8474 0.6731 H 1 UNL11111111 0.1332 32 H -5.0894 -0.4586 -0.9501 H 1 UNL11111111 0.1370 33 H -3.4602 -1.8621 1.2708 H 1 UNL11111111 0.1409 34 H -4.1110 -2.6262 -0.1837 H 1 UNL11111111 0.1341 35 H -2.6695 -1.2109 -1.6451 H 1 UNL11111111 0.1473 36 H -1.6858 -2.0975 -0.4721 H 1 UNL11111111 0.1455 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 12 13 1 13 13 14 1 14 14 15 1 15 10 15 1 16 3 16 1 17 3 17 1 18 3 18 1 19 4 19 1 20 4 20 1 21 5 21 1 22 5 22 1 23 6 23 1 24 6 24 1 25 6 25 1 26 10 26 1 27 11 27 1 28 11 28 1 29 12 29 1 30 12 30 1 31 13 31 1 32 13 32 1 33 14 33 1 34 14 34 1 35 15 35 1 36 15 36 1