@MOLECULE 4-methyl-1-[(R)-[(1R)-1-methylbutyl]sulfinyl]pentane 37 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.3913 -0.2737 0.1827 C.3 1 UNL11111111 -0.0614 2 C 4.5789 -1.7249 -0.2759 C.3 1 UNL11111111 -0.4568 3 C 5.6226 0.5567 -0.2022 C.3 1 UNL11111111 -0.4581 4 C 3.1271 0.3467 -0.4432 C.3 1 UNL11111111 -0.2891 5 C 1.8478 -0.2087 0.2030 C.3 1 UNL11111111 -0.2504 6 C 0.6158 0.4514 -0.4102 C.3 1 UNL11111111 -0.4906 7 S -0.9049 -0.1685 0.4285 S.O 1 UNL11111111 1.0249 8 O -0.9292 0.4670 1.7710 O.2 1 UNL11111111 -0.7900 9 C -2.1797 0.7298 -0.5911 C.3 1 UNL11111111 -0.2958 10 H -2.0303 0.4219 -1.6485 H 1 UNL11111111 0.1443 11 C -2.0332 2.2401 -0.4675 C.3 1 UNL11111111 -0.4509 12 C -3.5727 0.2982 -0.1208 C.3 1 UNL11111111 -0.2731 13 C -3.9645 -1.0966 -0.6287 C.3 1 UNL11111111 -0.2509 14 C -5.3561 -1.4778 -0.1208 C.3 1 UNL11111111 -0.4406 15 H 4.2862 -0.2591 1.2951 H 1 UNL11111111 0.1343 16 H 3.7144 -2.3426 -0.0118 H 1 UNL11111111 0.1418 17 H 4.7121 -1.7887 -1.3607 H 1 UNL11111111 0.1415 18 H 5.4608 -2.1769 0.1909 H 1 UNL11111111 0.1427 19 H 5.7490 0.6086 -1.2883 H 1 UNL11111111 0.1429 20 H 5.5449 1.5831 0.1725 H 1 UNL11111111 0.1445 21 H 6.5382 0.1236 0.2150 H 1 UNL11111111 0.1450 22 H 3.1559 1.4462 -0.3200 H 1 UNL11111111 0.1396 23 H 3.1175 0.1650 -1.5322 H 1 UNL11111111 0.1348 24 H 1.8153 -1.3084 0.0783 H 1 UNL11111111 0.1387 25 H 1.8829 -0.0261 1.2988 H 1 UNL11111111 0.1566 26 H 0.6899 1.5484 -0.3077 H 1 UNL11111111 0.1644 27 H 0.5492 0.2351 -1.4872 H 1 UNL11111111 0.1524 28 H -2.8607 2.7636 -0.9645 H 1 UNL11111111 0.1481 29 H -2.0414 2.5660 0.5861 H 1 UNL11111111 0.1733 30 H -1.1096 2.6178 -0.9197 H 1 UNL11111111 0.1409 31 H -3.6482 0.3394 0.9861 H 1 UNL11111111 0.1605 32 H -4.3241 1.0337 -0.4758 H 1 UNL11111111 0.1422 33 H -3.9479 -1.1166 -1.7343 H 1 UNL11111111 0.1287 34 H -3.2324 -1.8571 -0.2983 H 1 UNL11111111 0.1399 35 H -6.1134 -0.7505 -0.4324 H 1 UNL11111111 0.1407 36 H -5.6645 -2.4565 -0.5026 H 1 UNL11111111 0.1370 37 H -5.3801 -1.5297 0.9743 H 1 UNL11111111 0.1482 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 9 11 1 11 9 12 1 12 12 13 1 13 13 14 1 14 1 15 1 15 2 16 1 16 2 17 1 17 2 18 1 18 3 19 1 19 3 20 1 20 3 21 1 21 4 22 1 22 4 23 1 23 5 24 1 24 5 25 1 25 6 26 1 26 6 27 1 27 11 28 1 28 11 29 1 29 11 30 1 30 12 31 1 31 12 32 1 32 13 33 1 33 13 34 1 34 14 35 1 35 14 36 1 36 14 37 1