@MOLECULE (2R)-2-[(1R)-1-methylbutyl]sulfinylpentane 34 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.3438 -0.1421 0.8944 C.3 1 UNL111 -0.2889 2 H -1.4478 0.8697 1.3423 H 1 UNL111 0.1434 3 C -0.9190 -1.1389 1.9639 C.3 1 UNL111 -0.4486 4 C -2.6790 -0.5655 0.2759 C.3 1 UNL111 -0.2722 5 C -3.3462 0.5594 -0.5294 C.3 1 UNL111 -0.2503 6 C -4.7218 0.1133 -1.0290 C.3 1 UNL111 -0.4403 7 S -0.0609 -0.0373 -0.4570 S.O 1 UNL111 0.9979 8 O 0.4333 -1.4297 -0.6325 O.2 1 UNL111 -0.7937 9 C 1.2588 0.8943 0.4737 C.3 1 UNL111 -0.2963 10 H 1.3644 0.4620 1.4935 H 1 UNL111 0.1522 11 C 0.8348 2.3555 0.5736 C.3 1 UNL111 -0.4456 12 C 2.6016 0.7783 -0.2542 C.3 1 UNL111 -0.2642 13 C 3.2920 -0.5702 -0.0017 C.3 1 UNL111 -0.2655 14 C 4.6695 -0.6022 -0.6642 C.3 1 UNL111 -0.4386 15 H -0.6855 -2.1272 1.5304 H 1 UNL111 0.1769 16 H -0.0299 -0.8165 2.5186 H 1 UNL111 0.1418 17 H -1.7134 -1.2957 2.7045 H 1 UNL111 0.1459 18 H -2.5548 -1.4677 -0.3578 H 1 UNL111 0.1569 19 H -3.3686 -0.8852 1.0851 H 1 UNL111 0.1423 20 H -3.4496 1.4664 0.0947 H 1 UNL111 0.1284 21 H -2.7182 0.8516 -1.3923 H 1 UNL111 0.1406 22 H -4.6470 -0.7769 -1.6648 H 1 UNL111 0.1469 23 H -5.3919 -0.1316 -0.1980 H 1 UNL111 0.1399 24 H -5.2043 0.8991 -1.6197 H 1 UNL111 0.1368 25 H 1.5980 2.9417 1.1069 H 1 UNL111 0.1520 26 H 0.7151 2.8263 -0.4111 H 1 UNL111 0.1517 27 H -0.0993 2.4969 1.1297 H 1 UNL111 0.1411 28 H 2.4880 0.9427 -1.3433 H 1 UNL111 0.1427 29 H 3.2731 1.5926 0.0895 H 1 UNL111 0.1361 30 H 3.3866 -0.7569 1.0831 H 1 UNL111 0.1300 31 H 2.6688 -1.4048 -0.3941 H 1 UNL111 0.1795 32 H 4.5903 -0.4837 -1.7510 H 1 UNL111 0.1416 33 H 5.3190 0.1940 -0.2870 H 1 UNL111 0.1356 34 H 5.1730 -1.5580 -0.4767 H 1 UNL111 0.1440 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 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 3 15 1 15 3 16 1 16 3 17 1 17 4 18 1 18 4 19 1 19 5 20 1 20 5 21 1 21 6 22 1 22 6 23 1 23 6 24 1 24 11 25 1 25 11 26 1 26 11 27 1 27 12 28 1 28 12 29 1 29 13 30 1 30 13 31 1 31 14 32 1 32 14 33 1 33 14 34 1