@MOLECULE S-cyclohexyl 3-methylbutanethioate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.6952 -0.3300 0.2663 C.3 1 UNL11111111 -0.0367 2 C 3.4264 -1.6017 -0.5442 C.3 1 UNL11111111 -0.4583 3 C 5.1050 0.1952 -0.0225 C.3 1 UNL11111111 -0.4596 4 C 2.6590 0.7595 -0.0825 C.3 1 UNL11111111 -0.3853 5 C 1.2964 0.3575 0.3848 C.2 1 UNL11111111 0.4549 6 O 1.0653 -0.3756 1.3029 O.2 1 UNL11111111 -0.4364 7 S -0.0593 1.1094 -0.5687 S.3 1 UNL11111111 -0.1982 8 C -1.5654 0.2913 0.1478 C.3 1 UNL11111111 -0.0963 9 C -2.7446 1.2507 -0.0194 C.3 1 UNL11111111 -0.2809 10 C -4.0228 0.5972 0.5315 C.3 1 UNL11111111 -0.2608 11 C -4.2946 -0.7392 -0.1704 C.3 1 UNL11111111 -0.2664 12 C -3.0993 -1.6843 0.0007 C.3 1 UNL11111111 -0.2617 13 C -1.8209 -1.0406 -0.5589 C.3 1 UNL11111111 -0.2797 14 H 3.6089 -0.5708 1.3561 H 1 UNL11111111 0.1494 15 H 3.4538 -1.4123 -1.6219 H 1 UNL11111111 0.1450 16 H 4.1716 -2.3749 -0.3262 H 1 UNL11111111 0.1461 17 H 2.4436 -2.0264 -0.3033 H 1 UNL11111111 0.1541 18 H 5.2331 0.4527 -1.0796 H 1 UNL11111111 0.1460 19 H 5.3340 1.0879 0.5689 H 1 UNL11111111 0.1431 20 H 5.8619 -0.5595 0.2217 H 1 UNL11111111 0.1478 21 H 2.9421 1.7202 0.4030 H 1 UNL11111111 0.1785 22 H 2.6905 0.9637 -1.1734 H 1 UNL11111111 0.1788 23 H -1.3706 0.1082 1.2330 H 1 UNL11111111 0.1689 24 H -2.5608 2.2055 0.5111 H 1 UNL11111111 0.1454 25 H -2.8992 1.5153 -1.0840 H 1 UNL11111111 0.1483 26 H -3.9267 0.4391 1.6221 H 1 UNL11111111 0.1397 27 H -4.8817 1.2799 0.3962 H 1 UNL11111111 0.1339 28 H -5.2102 -1.2043 0.2381 H 1 UNL11111111 0.1332 29 H -4.4912 -0.5692 -1.2456 H 1 UNL11111111 0.1374 30 H -2.9615 -1.9334 1.0698 H 1 UNL11111111 0.1410 31 H -3.2932 -2.6438 -0.5126 H 1 UNL11111111 0.1343 32 H -1.9264 -0.9006 -1.6523 H 1 UNL11111111 0.1484 33 H -0.9673 -1.7324 -0.4173 H 1 UNL11111111 0.1459 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 12 13 1 13 8 13 1 14 1 14 1 15 2 15 1 16 2 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 8 23 1 24 9 24 1 25 9 25 1 26 10 26 1 27 10 27 1 28 11 28 1 29 11 29 1 30 12 30 1 31 12 31 1 32 13 32 1 33 13 33 1