@MOLECULE 2,2-dimethyl-1-[(1S)-1-methylpropyl]sulfanyl-propane 30 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.3726 1.5646 -0.3795 C.3 1 UNL111111 -0.4391 2 C -3.1866 0.1641 0.2040 C.3 1 UNL111111 -0.2579 3 C -1.9360 -0.5332 -0.3421 C.3 1 UNL111111 -0.1056 4 H -1.8345 -0.3268 -1.4317 H 1 UNL111111 0.1441 5 C -2.0065 -2.0367 -0.1064 C.3 1 UNL111111 -0.4590 6 S -0.4578 0.1980 0.5147 S.3 1 UNL111111 -0.1011 7 C 0.9220 -0.4762 -0.4991 C.3 1 UNL111111 -0.3394 8 C 2.2912 0.0919 -0.0803 C.3 1 UNL111111 0.1427 9 C 2.6030 -0.2161 1.3908 C.3 1 UNL111111 -0.4651 10 C 3.3531 -0.5994 -0.9639 C.3 1 UNL111111 -0.4702 11 C 2.3606 1.6057 -0.3246 C.3 1 UNL111111 -0.4652 12 H -2.5616 2.2425 -0.0856 H 1 UNL111111 0.1576 13 H -3.4018 1.5460 -1.4742 H 1 UNL111111 0.1410 14 H -4.3095 2.0144 -0.0321 H 1 UNL111111 0.1405 15 H -3.1697 0.2110 1.3116 H 1 UNL111111 0.1496 16 H -4.0784 -0.4513 -0.0384 H 1 UNL111111 0.1401 17 H -2.8704 -2.4752 -0.6235 H 1 UNL111111 0.1485 18 H -1.1190 -2.5635 -0.4770 H 1 UNL111111 0.1469 19 H -2.1099 -2.2850 0.9584 H 1 UNL111111 0.1591 20 H 0.9277 -1.5762 -0.4005 H 1 UNL111111 0.1519 21 H 0.7306 -0.2465 -1.5619 H 1 UNL111111 0.1506 22 H 2.4669 -1.2783 1.6187 H 1 UNL111111 0.1460 23 H 3.6376 0.0463 1.6369 H 1 UNL111111 0.1442 24 H 1.9616 0.3496 2.0765 H 1 UNL111111 0.1572 25 H 3.1727 -0.4151 -2.0272 H 1 UNL111111 0.1438 26 H 4.3569 -0.2271 -0.7338 H 1 UNL111111 0.1483 27 H 3.3627 -1.6821 -0.8063 H 1 UNL111111 0.1440 28 H 1.6824 2.1607 0.3339 H 1 UNL111111 0.1576 29 H 3.3698 1.9885 -0.1385 H 1 UNL111111 0.1442 30 H 2.0937 1.8598 -1.3553 H 1 UNL111111 0.1446 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 8 10 1 10 8 11 1 11 1 12 1 12 1 13 1 13 1 14 1 14 2 15 1 15 2 16 1 16 5 17 1 17 5 18 1 18 5 19 1 19 7 20 1 20 7 21 1 21 9 22 1 22 9 23 1 23 9 24 1 24 10 25 1 25 10 26 1 26 10 27 1 27 11 28 1 28 11 29 1 29 11 30 1