@MOLECULE (4R)-3,4-dimethylhexane-3-thione 26 25 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.3749 0.2561 0.5377 C.3 1 UNL111 -0.4364 2 C 2.0405 -0.4508 0.2884 C.3 1 UNL111 -0.2685 3 C 0.9471 0.5590 -0.1235 C.3 1 UNL111 -0.1016 4 H 1.1272 1.5087 0.4441 H 1 UNL111 0.1408 5 C 1.0948 0.8744 -1.6174 C.3 1 UNL111 -0.4544 6 C -0.4853 0.0923 0.2666 C.2 1 UNL111 0.0165 7 S -0.8751 -1.5163 -0.5167 S.2 1 UNL111 -0.0889 8 C -0.5876 -0.0448 1.7873 C.3 1 UNL111 -0.4611 9 C -1.5171 1.1278 -0.2368 C.3 1 UNL111 -0.2699 10 C -2.9585 0.8753 0.2038 C.3 1 UNL111 -0.4374 11 H 3.2990 0.9818 1.3553 H 1 UNL111 0.1415 12 H 4.1569 -0.4624 0.8076 H 1 UNL111 0.1424 13 H 3.7191 0.7956 -0.3526 H 1 UNL111 0.1436 14 H 2.1679 -1.2236 -0.4952 H 1 UNL111 0.1458 15 H 1.7507 -1.0020 1.2025 H 1 UNL111 0.1392 16 H 2.1208 1.1884 -1.8459 H 1 UNL111 0.1473 17 H 0.8807 0.0060 -2.2515 H 1 UNL111 0.1594 18 H 0.4348 1.6866 -1.9361 H 1 UNL111 0.1410 19 H 0.1511 -0.7421 2.2022 H 1 UNL111 0.1535 20 H -0.4260 0.9221 2.2819 H 1 UNL111 0.1498 21 H -1.5730 -0.4082 2.1104 H 1 UNL111 0.1602 22 H -1.2028 2.1286 0.1258 H 1 UNL111 0.1446 23 H -1.4871 1.2004 -1.3434 H 1 UNL111 0.1510 24 H -3.6260 1.6475 -0.1987 H 1 UNL111 0.1439 25 H -3.3396 -0.0898 -0.1468 H 1 UNL111 0.1513 26 H -3.0647 0.8949 1.2945 H 1 UNL111 0.1468 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 6 8 1 8 6 9 1 9 9 10 1 10 1 11 1 11 1 12 1 12 1 13 1 13 2 14 1 14 2 15 1 15 5 16 1 16 5 17 1 17 5 18 1 18 8 19 1 19 8 20 1 20 8 21 1 21 9 22 1 22 9 23 1 23 10 24 1 24 10 25 1 25 10 26 1