@MOLECULE S-(2,2-dimethylpropyl) cyclohexanecarbothioate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.2165 -1.3141 -0.0808 C.3 1 UNL11111111 -0.2602 2 C -3.6182 -1.4135 -0.6928 C.3 1 UNL11111111 -0.2615 3 C -4.5726 -0.4201 -0.0164 C.3 1 UNL11111111 -0.2655 4 C -4.0364 1.0127 -0.1349 C.3 1 UNL11111111 -0.2596 5 C -2.6328 1.1188 0.4744 C.3 1 UNL11111111 -0.2605 6 C -1.6852 0.1240 -0.2196 C.3 1 UNL11111111 -0.1923 7 C -0.3382 0.2017 0.4520 C.2 1 UNL11111111 0.4199 8 O -0.0740 -0.3096 1.5028 O.2 1 UNL11111111 -0.4356 9 S 0.9008 1.1623 -0.4644 S.3 1 UNL11111111 -0.1311 10 C 2.4400 0.8478 0.4752 C.3 1 UNL11111111 -0.3281 11 C 3.3130 -0.2908 -0.0862 C.3 1 UNL11111111 0.1378 12 C 3.8163 0.0442 -1.4970 C.3 1 UNL11111111 -0.4689 13 C 4.5276 -0.4297 0.8559 C.3 1 UNL11111111 -0.4713 14 C 2.5527 -1.6237 -0.1069 C.3 1 UNL11111111 -0.4698 15 H -2.2437 -1.6060 0.9885 H 1 UNL11111111 0.1576 16 H -1.5300 -2.0268 -0.5732 H 1 UNL11111111 0.1378 17 H -3.5742 -1.2148 -1.7801 H 1 UNL11111111 0.1362 18 H -4.0043 -2.4439 -0.5860 H 1 UNL11111111 0.1331 19 H -5.5775 -0.4890 -0.4706 H 1 UNL11111111 0.1294 20 H -4.7006 -0.6866 1.0496 H 1 UNL11111111 0.1396 21 H -4.0135 1.3219 -1.1967 H 1 UNL11111111 0.1371 22 H -4.7212 1.7172 0.3727 H 1 UNL11111111 0.1329 23 H -2.2523 2.1522 0.3719 H 1 UNL11111111 0.1414 24 H -2.6737 0.9093 1.5614 H 1 UNL11111111 0.1516 25 H -1.6260 0.3783 -1.3068 H 1 UNL11111111 0.1674 26 H 3.0080 1.7973 0.4797 H 1 UNL11111111 0.1628 27 H 2.1772 0.6327 1.5322 H 1 UNL11111111 0.1790 28 H 4.3448 1.0021 -1.5221 H 1 UNL11111111 0.1433 29 H 4.5100 -0.7233 -1.8578 H 1 UNL11111111 0.1459 30 H 2.9982 0.0993 -2.2238 H 1 UNL11111111 0.1553 31 H 4.2163 -0.6968 1.8714 H 1 UNL11111111 0.1494 32 H 5.2075 -1.2144 0.5077 H 1 UNL11111111 0.1495 33 H 5.1034 0.4987 0.9130 H 1 UNL11111111 0.1440 34 H 1.8059 -1.6611 -0.9065 H 1 UNL11111111 0.1497 35 H 3.2351 -2.4647 -0.2724 H 1 UNL11111111 0.1455 36 H 2.0327 -1.8048 0.8422 H 1 UNL11111111 0.1581 @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 11 12 1 13 11 13 1 14 11 14 1 15 1 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 5 23 1 24 5 24 1 25 6 25 1 26 10 26 1 27 10 27 1 28 12 28 1 29 12 29 1 30 12 30 1 31 13 31 1 32 13 32 1 33 13 33 1 34 14 34 1 35 14 35 1 36 14 36 1