@MOLECULE S-[(1R)-1-methylbutyl] pentanethioate 32 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.8341 0.1983 0.3548 C.3 1 UNL1111111 -0.4394 2 C 4.5593 0.7754 -0.2606 C.3 1 UNL1111111 -0.2513 3 C 3.3253 0.0063 0.2250 C.3 1 UNL1111111 -0.2513 4 C 2.0477 0.5716 -0.4099 C.3 1 UNL1111111 -0.3719 5 C 0.8466 -0.1596 0.1033 C.2 1 UNL1111111 0.4485 6 O 0.8586 -0.9728 0.9824 O.2 1 UNL1111111 -0.4365 7 S -0.7059 0.2986 -0.7261 S.3 1 UNL1111111 -0.1838 8 C -1.9454 -0.8065 0.1138 C.3 1 UNL1111111 -0.0836 9 H -1.7451 -0.7541 1.2119 H 1 UNL1111111 0.1642 10 C -1.7711 -2.2397 -0.3672 C.3 1 UNL1111111 -0.4598 11 C -3.3488 -0.2857 -0.1970 C.3 1 UNL1111111 -0.2896 12 C -3.6969 0.9873 0.5867 C.3 1 UNL1111111 -0.2509 13 C -5.1651 1.3603 0.3764 C.3 1 UNL1111111 -0.4401 14 H 6.7208 0.7480 0.0205 H 1 UNL1111111 0.1405 15 H 5.8100 0.2483 1.4495 H 1 UNL1111111 0.1454 16 H 5.9753 -0.8524 0.0770 H 1 UNL1111111 0.1448 17 H 4.4678 1.8467 0.0006 H 1 UNL1111111 0.1339 18 H 4.6240 0.7361 -1.3645 H 1 UNL1111111 0.1340 19 H 3.4239 -1.0708 -0.0131 H 1 UNL1111111 0.1495 20 H 3.2531 0.0534 1.3301 H 1 UNL1111111 0.1536 21 H 1.9603 1.6574 -0.1831 H 1 UNL1111111 0.1793 22 H 2.1151 0.5078 -1.5175 H 1 UNL1111111 0.1779 23 H -1.9276 -2.3468 -1.4476 H 1 UNL1111111 0.1552 24 H -0.7699 -2.6339 -0.1357 H 1 UNL1111111 0.1659 25 H -2.4861 -2.9095 0.1303 H 1 UNL1111111 0.1526 26 H -3.4891 -0.1144 -1.2824 H 1 UNL1111111 0.1509 27 H -4.0853 -1.0781 0.0583 H 1 UNL1111111 0.1506 28 H -3.4971 0.8388 1.6650 H 1 UNL1111111 0.1372 29 H -3.0494 1.8290 0.2744 H 1 UNL1111111 0.1459 30 H -5.4311 2.2576 0.9462 H 1 UNL1111111 0.1428 31 H -5.3793 1.5659 -0.6783 H 1 UNL1111111 0.1431 32 H -5.8360 0.5565 0.6994 H 1 UNL1111111 0.1426 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 8 9 1 9 8 10 1 10 8 11 1 11 11 12 1 12 12 13 1 13 1 14 1 14 1 15 1 15 1 16 1 16 2 17 1 17 2 18 1 18 3 19 1 19 3 20 1 20 4 21 1 21 4 22 1 22 10 23 1 23 10 24 1 24 10 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 13 32 1