@MOLECULE 2,6-dimethyl-4-heptanethione 28 27 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.5779 -0.1073 0.1551 C.3 1 UNL111111111 -0.0413 2 C -2.9063 -0.0420 -1.3397 C.3 1 UNL111111111 -0.4555 3 C -3.6437 -0.9436 0.8785 C.3 1 UNL111111111 -0.4612 4 C -1.1924 -0.7467 0.3859 C.3 1 UNL111111111 -0.3432 5 C -0.0002 0.0788 0.0045 C.2 1 UNL111111111 0.1339 6 S 0.0015 1.6840 -0.0415 S.2 1 UNL111111111 -0.2324 7 C 1.1885 -0.7694 -0.3340 C.3 1 UNL111111111 -0.3431 8 C 2.5788 -0.1213 -0.1653 C.3 1 UNL111111111 -0.0406 9 C 2.9148 0.0821 1.3151 C.3 1 UNL111111111 -0.4555 10 C 3.6352 -1.0313 -0.8107 C.3 1 UNL111111111 -0.4614 11 H -2.5946 0.9254 0.5819 H 1 UNL111111111 0.1535 12 H -3.8747 0.4436 -1.5063 H 1 UNL111111111 0.1456 13 H -2.1599 0.5349 -1.8963 H 1 UNL111111111 0.1512 14 H -2.9556 -1.0385 -1.7894 H 1 UNL111111111 0.1405 15 H -3.6890 -1.9659 0.4897 H 1 UNL111111111 0.1431 16 H -3.4499 -1.0018 1.9543 H 1 UNL111111111 0.1422 17 H -4.6389 -0.5024 0.7512 H 1 UNL111111111 0.1473 18 H -1.0935 -1.0117 1.4655 H 1 UNL111111111 0.1688 19 H -1.1725 -1.7239 -0.1462 H 1 UNL111111111 0.1583 20 H 1.1734 -1.7106 0.2593 H 1 UNL111111111 0.1585 21 H 1.0762 -1.1013 -1.3941 H 1 UNL111111111 0.1685 22 H 2.6000 0.8660 -0.6887 H 1 UNL111111111 0.1525 23 H 2.2023 0.7540 1.8059 H 1 UNL111111111 0.1523 24 H 2.9109 -0.8631 1.8668 H 1 UNL111111111 0.1403 25 H 3.9085 0.5290 1.4336 H 1 UNL111111111 0.1455 26 H 3.4083 -1.2330 -1.8624 H 1 UNL111111111 0.1418 27 H 4.6259 -0.5636 -0.7764 H 1 UNL111111111 0.1471 28 H 3.7111 -1.9931 -0.2935 H 1 UNL111111111 0.1434 @BOND 1 1 2 1 2 1 3 1 3 1 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 1 11 1 11 2 12 1 12 2 13 1 13 2 14 1 14 3 15 1 15 3 16 1 16 3 17 1 17 4 18 1 18 4 19 1 19 7 20 1 20 7 21 1 21 8 22 1 22 9 23 1 23 9 24 1 24 9 25 1 25 10 26 1 26 10 27 1 27 10 28 1