@MOLECULE (6S)-2,6-dimethylnonane-5-thione 34 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.5241 0.5407 -0.5738 C.3 1 UNL111 -0.0621 2 C -4.7748 -0.3306 -0.7503 C.3 1 UNL111 -0.4558 3 C -3.7850 1.6127 0.4910 C.3 1 UNL111 -0.4541 4 C -2.3315 -0.3548 -0.1819 C.3 1 UNL111 -0.2744 5 C -1.0028 0.3973 -0.3200 C.3 1 UNL111 -0.3209 6 C 0.2182 -0.3486 0.1174 C.2 1 UNL111 0.1021 7 S 0.2558 -1.9226 0.4186 S.2 1 UNL111 -0.2145 8 C 1.4270 0.5505 0.2639 C.3 1 UNL111 -0.1349 9 H 1.2517 1.5034 -0.3018 H 1 UNL111 0.1447 10 C 1.5832 0.8997 1.7517 C.3 1 UNL111 -0.4392 11 C 2.7115 -0.0885 -0.2955 C.3 1 UNL111 -0.2734 12 C 3.8032 0.9663 -0.5251 C.3 1 UNL111 -0.2512 13 C 5.1086 0.3009 -0.9613 C.3 1 UNL111 -0.4388 14 H -3.2995 1.0430 -1.5447 H 1 UNL111 0.1269 15 H -5.6511 0.2768 -0.9996 H 1 UNL111 0.1419 16 H -4.6424 -1.0619 -1.5550 H 1 UNL111 0.1436 17 H -5.0089 -0.8854 0.1649 H 1 UNL111 0.1473 18 H -3.9845 1.1635 1.4701 H 1 UNL111 0.1471 19 H -2.9309 2.2873 0.6049 H 1 UNL111 0.1378 20 H -4.6535 2.2269 0.2293 H 1 UNL111 0.1422 21 H -2.4668 -0.7210 0.8533 H 1 UNL111 0.1519 22 H -2.3268 -1.2598 -0.8212 H 1 UNL111 0.1546 23 H -0.8692 0.7059 -1.3840 H 1 UNL111 0.1654 24 H -1.0731 1.3546 0.2481 H 1 UNL111 0.1628 25 H 1.8836 0.0250 2.3428 H 1 UNL111 0.1603 26 H 2.3541 1.6651 1.8969 H 1 UNL111 0.1488 27 H 0.6503 1.2833 2.1791 H 1 UNL111 0.1452 28 H 3.0853 -0.8713 0.3931 H 1 UNL111 0.1575 29 H 2.4985 -0.6069 -1.2500 H 1 UNL111 0.1444 30 H 3.4754 1.6944 -1.2904 H 1 UNL111 0.1313 31 H 3.9722 1.5509 0.3989 H 1 UNL111 0.1345 32 H 5.8901 1.0445 -1.1507 H 1 UNL111 0.1396 33 H 5.4848 -0.3833 -0.1918 H 1 UNL111 0.1449 34 H 4.9759 -0.2796 -1.8812 H 1 UNL111 0.1446 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 6 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 2 15 1 15 2 16 1 16 2 17 1 17 3 18 1 18 3 19 1 19 3 20 1 20 4 21 1 21 4 22 1 22 5 23 1 23 5 24 1 24 10 25 1 25 10 26 1 26 10 27 1 27 11 28 1 28 11 29 1 29 12 30 1 30 12 31 1 31 13 32 1 32 13 33 1 33 13 34 1