@MOLECULE S-[(1R)-1-methylbutyl] 3,3-dimethylpentanethioate 38 37 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.4482 -0.6196 0.2446 C.3 1 UNL11111111 -0.4332 2 C 4.0196 -0.9167 0.6980 C.3 1 UNL11111111 -0.2816 3 C 2.9341 -0.1376 -0.0920 C.3 1 UNL11111111 0.1416 4 C 3.1111 1.3713 0.1069 C.3 1 UNL11111111 -0.4721 5 C 3.0028 -0.4908 -1.5808 C.3 1 UNL11111111 -0.4718 6 C 1.5647 -0.5868 0.4951 C.3 1 UNL11111111 -0.4073 7 C 0.3829 0.1158 -0.0873 C.2 1 UNL11111111 0.4685 8 O 0.3623 0.8401 -1.0395 O.2 1 UNL11111111 -0.4401 9 S -1.1675 -0.2470 0.8105 S.3 1 UNL11111111 -0.2005 10 C -2.4045 0.7887 -0.1158 C.3 1 UNL11111111 -0.0828 11 H -2.1898 0.6640 -1.2058 H 1 UNL11111111 0.1647 12 C -2.2419 2.2521 0.2694 C.3 1 UNL11111111 -0.4585 13 C -3.8099 0.2820 0.2089 C.3 1 UNL11111111 -0.2894 14 C -4.1244 -1.0597 -0.4670 C.3 1 UNL11111111 -0.2509 15 C -5.5995 -1.4208 -0.2882 C.3 1 UNL11111111 -0.4400 16 H 5.6948 0.4429 0.3488 H 1 UNL11111111 0.1445 17 H 6.1735 -1.1825 0.8433 H 1 UNL11111111 0.1380 18 H 5.6068 -0.8950 -0.8039 H 1 UNL11111111 0.1447 19 H 3.8291 -2.0031 0.6050 H 1 UNL11111111 0.1343 20 H 3.9259 -0.6811 1.7756 H 1 UNL11111111 0.1348 21 H 4.0862 1.7103 -0.2596 H 1 UNL11111111 0.1488 22 H 2.3537 1.9407 -0.4480 H 1 UNL11111111 0.1645 23 H 3.0367 1.6535 1.1611 H 1 UNL11111111 0.1427 24 H 2.9188 -1.5682 -1.7492 H 1 UNL11111111 0.1415 25 H 2.1987 -0.0006 -2.1466 H 1 UNL11111111 0.1681 26 H 3.9465 -0.1578 -2.0262 H 1 UNL11111111 0.1481 27 H 1.4520 -1.6838 0.3393 H 1 UNL11111111 0.1814 28 H 1.5907 -0.4471 1.5989 H 1 UNL11111111 0.1797 29 H -2.4044 2.4300 1.3396 H 1 UNL11111111 0.1549 30 H -1.2417 2.6349 0.0168 H 1 UNL11111111 0.1643 31 H -2.9591 2.8826 -0.2741 H 1 UNL11111111 0.1517 32 H -3.9733 0.2057 1.3016 H 1 UNL11111111 0.1503 33 H -4.5474 1.0401 -0.1323 H 1 UNL11111111 0.1499 34 H -3.8766 -1.0115 -1.5445 H 1 UNL11111111 0.1371 35 H -3.4912 -1.8658 -0.0490 H 1 UNL11111111 0.1461 36 H -5.8671 -1.5000 0.7713 H 1 UNL11111111 0.1430 37 H -6.2568 -0.6702 -0.7407 H 1 UNL11111111 0.1424 38 H -5.8299 -2.3843 -0.7571 H 1 UNL11111111 0.1425 @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 2 8 7 9 1 9 9 10 1 10 10 11 1 11 10 12 1 12 10 13 1 13 13 14 1 14 14 15 1 15 1 16 1 16 1 17 1 17 1 18 1 18 2 19 1 19 2 20 1 20 4 21 1 21 4 22 1 22 4 23 1 23 5 24 1 24 5 25 1 25 5 26 1 26 6 27 1 27 6 28 1 28 12 29 1 29 12 30 1 30 12 31 1 31 13 32 1 32 13 33 1 33 14 34 1 34 14 35 1 35 15 36 1 36 15 37 1 37 15 38 1