@MOLECULE (4S)-3,4-dimethylhexane-3-thione 26 25 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.0990 0.3218 0.8127 C.3 1 UNL111 -0.4365 2 C 1.9461 0.5076 -0.1756 C.3 1 UNL111 -0.2649 3 C 0.7787 -0.4536 0.1383 C.3 1 UNL111 -0.1008 4 H 0.6775 -0.5250 1.2541 H 1 UNL111 0.1501 5 C 1.1257 -1.8537 -0.3901 C.3 1 UNL111 -0.4513 6 C -0.5670 0.0495 -0.4381 C.2 1 UNL111 0.0247 7 S -1.0671 1.5986 0.4203 S.2 1 UNL111 -0.0996 8 C -0.4716 0.3428 -1.9371 C.3 1 UNL111 -0.4625 9 C -1.7203 -0.9517 -0.2066 C.3 1 UNL111 -0.2719 10 C -1.9278 -1.3811 1.2450 C.3 1 UNL111 -0.4407 11 H 3.4924 -0.7019 0.7891 H 1 UNL111 0.1419 12 H 3.9293 0.9984 0.5804 H 1 UNL111 0.1421 13 H 2.7814 0.5326 1.8405 H 1 UNL111 0.1456 14 H 1.6171 1.5632 -0.1430 H 1 UNL111 0.1406 15 H 2.3039 0.3411 -1.2090 H 1 UNL111 0.1377 16 H 0.3935 -2.6024 -0.0701 H 1 UNL111 0.1447 17 H 1.1733 -1.8770 -1.4832 H 1 UNL111 0.1442 18 H 2.1029 -2.1798 -0.0145 H 1 UNL111 0.1480 19 H -1.4324 0.6623 -2.3622 H 1 UNL111 0.1571 20 H 0.2583 1.1287 -2.1695 H 1 UNL111 0.1557 21 H -0.1585 -0.5502 -2.4933 H 1 UNL111 0.1524 22 H -2.6700 -0.5409 -0.6093 H 1 UNL111 0.1481 23 H -1.5255 -1.8531 -0.8267 H 1 UNL111 0.1489 24 H -2.7173 -2.1399 1.3143 H 1 UNL111 0.1446 25 H -1.0201 -1.8174 1.6782 H 1 UNL111 0.1483 26 H -2.2302 -0.5505 1.8933 H 1 UNL111 0.1534 @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