@MOLECULE 1,1-dimethylbutylsulfanylcyclohexane 37 37 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.3892 -0.8155 -0.9501 C.3 1 UNL111 -0.2717 2 C 3.7370 -0.4619 -0.3015 C.3 1 UNL111 -0.2624 3 C 3.7869 1.0286 0.0566 C.3 1 UNL111 -0.2645 4 C 2.6282 1.3941 0.9927 C.3 1 UNL111 -0.2612 5 C 1.2788 1.0307 0.3523 C.3 1 UNL111 -0.2825 6 C 1.2509 -0.4596 0.0123 C.3 1 UNL111 -0.1091 7 S -0.3231 -0.9536 -0.8333 S.3 1 UNL111 -0.1812 8 C -1.6899 -0.8622 0.4443 C.3 1 UNL111 0.0991 9 C -2.7679 -1.8136 -0.0741 C.3 1 UNL111 -0.4586 10 C -1.1898 -1.3456 1.8062 C.3 1 UNL111 -0.4771 11 C -2.2227 0.5717 0.5866 C.3 1 UNL111 -0.2993 12 C -2.8282 1.1642 -0.6928 C.3 1 UNL111 -0.2454 13 C -3.2726 2.6085 -0.4530 C.3 1 UNL111 -0.4405 14 H 2.2859 -0.2675 -1.9078 H 1 UNL111 0.1508 15 H 2.3732 -1.8919 -1.2093 H 1 UNL111 0.1450 16 H 3.8944 -1.0760 0.6043 H 1 UNL111 0.1355 17 H 4.5632 -0.7163 -0.9901 H 1 UNL111 0.1324 18 H 4.7532 1.2742 0.5326 H 1 UNL111 0.1298 19 H 3.7348 1.6395 -0.8642 H 1 UNL111 0.1384 20 H 2.7424 0.8685 1.9586 H 1 UNL111 0.1343 21 H 2.6541 2.4740 1.2264 H 1 UNL111 0.1326 22 H 0.4595 1.2983 1.0466 H 1 UNL111 0.1343 23 H 1.1205 1.6447 -0.5561 H 1 UNL111 0.1530 24 H 1.3494 -1.0620 0.9435 H 1 UNL111 0.1461 25 H -2.4295 -2.8584 -0.0835 H 1 UNL111 0.1578 26 H -3.6614 -1.7702 0.5620 H 1 UNL111 0.1493 27 H -3.0949 -1.5718 -1.0943 H 1 UNL111 0.1582 28 H -0.4563 -0.6645 2.2533 H 1 UNL111 0.1489 29 H -2.0218 -1.4236 2.5197 H 1 UNL111 0.1545 30 H -0.7323 -2.3420 1.7520 H 1 UNL111 0.1593 31 H -2.9941 0.5831 1.3850 H 1 UNL111 0.1427 32 H -1.4204 1.2427 0.9543 H 1 UNL111 0.1426 33 H -2.0977 1.1356 -1.5248 H 1 UNL111 0.1534 34 H -3.6893 0.5564 -1.0269 H 1 UNL111 0.1338 35 H -4.0230 2.6730 0.3414 H 1 UNL111 0.1388 36 H -2.4280 3.2442 -0.1655 H 1 UNL111 0.1424 37 H -3.7134 3.0398 -1.3588 H 1 UNL111 0.1407 @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 1 9 8 9 1 10 8 10 1 11 8 11 1 12 11 12 1 13 12 13 1 14 1 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 5 23 1 24 6 24 1 25 9 25 1 26 9 26 1 27 9 27 1 28 10 28 1 29 10 29 1 30 10 30 1 31 11 31 1 32 11 32 1 33 12 33 1 34 12 34 1 35 13 35 1 36 13 36 1 37 13 37 1