@MOLECULE S-(1,1-dimethylbutyl) cyclohexanecarbothioate 39 39 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.5595 0.4136 -1.1826 C.3 1 UNL11111111 -0.2601 2 C -3.8832 1.1824 -1.0809 C.3 1 UNL11111111 -0.2590 3 C -4.8527 0.4674 -0.1307 C.3 1 UNL11111111 -0.2652 4 C -4.2244 0.3087 1.2603 C.3 1 UNL11111111 -0.2620 5 C -2.8995 -0.4567 1.1670 C.3 1 UNL11111111 -0.2606 6 C -1.9329 0.2728 0.2168 C.3 1 UNL11111111 -0.1931 7 C -0.6657 -0.5374 0.0934 C.2 1 UNL11111111 0.4389 8 O -0.6259 -1.7339 0.1270 O.2 1 UNL11111111 -0.4431 9 S 0.8190 0.4814 -0.1269 S.3 1 UNL11111111 -0.2179 10 C 2.2650 -0.7128 -0.2649 C.3 1 UNL11111111 0.1265 11 C 2.3669 -1.5463 1.0044 C.3 1 UNL11111111 -0.4749 12 C 2.0459 -1.6162 -1.4762 C.3 1 UNL11111111 -0.4799 13 C 3.5108 0.1570 -0.4976 C.3 1 UNL11111111 -0.3041 14 C 3.9448 1.0012 0.7083 C.3 1 UNL11111111 -0.2484 15 C 5.1326 1.8908 0.3368 C.3 1 UNL11111111 -0.4418 16 H -2.7343 -0.5867 -1.6243 H 1 UNL11111111 0.1489 17 H -1.8692 0.9398 -1.8686 H 1 UNL11111111 0.1437 18 H -3.6964 2.2129 -0.7242 H 1 UNL11111111 0.1375 19 H -4.3384 1.2850 -2.0829 H 1 UNL11111111 0.1322 20 H -5.8001 1.0310 -0.0585 H 1 UNL11111111 0.1290 21 H -5.1189 -0.5256 -0.5389 H 1 UNL11111111 0.1390 22 H -4.0592 1.3023 1.7169 H 1 UNL11111111 0.1359 23 H -4.9217 -0.2230 1.9336 H 1 UNL11111111 0.1329 24 H -2.4440 -0.5624 2.1687 H 1 UNL11111111 0.1386 25 H -3.0783 -1.4892 0.8049 H 1 UNL11111111 0.1571 26 H -1.7313 1.2932 0.6284 H 1 UNL11111111 0.1694 27 H 1.5200 -2.2425 1.1092 H 1 UNL11111111 0.1734 28 H 3.2784 -2.1589 0.9968 H 1 UNL11111111 0.1531 29 H 2.3992 -0.9377 1.9165 H 1 UNL11111111 0.1571 30 H 1.9405 -1.0537 -2.4115 H 1 UNL11111111 0.1554 31 H 2.8901 -2.3056 -1.6084 H 1 UNL11111111 0.1525 32 H 1.1494 -2.2461 -1.3680 H 1 UNL11111111 0.1750 33 H 4.3514 -0.5121 -0.7819 H 1 UNL11111111 0.1488 34 H 3.3662 0.8144 -1.3795 H 1 UNL11111111 0.1528 35 H 3.1131 1.6320 1.0756 H 1 UNL11111111 0.1481 36 H 4.2196 0.3431 1.5544 H 1 UNL11111111 0.1364 37 H 4.8662 2.6065 -0.4492 H 1 UNL11111111 0.1438 38 H 5.4781 2.4691 1.2011 H 1 UNL11111111 0.1423 39 H 5.9815 1.3007 -0.0250 H 1 UNL11111111 0.1419 @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 11 27 1 28 11 28 1 29 11 29 1 30 12 30 1 31 12 31 1 32 12 32 1 33 13 33 1 34 13 34 1 35 14 35 1 36 14 36 1 37 15 37 1 38 15 38 1 39 15 39 1