@MOLECULE 2,7,7-trimethyloctane-4-thione 34 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.9142 -0.6457 -0.2728 C.3 1 UNL11111111 -0.0380 2 C -2.0813 -1.7641 -0.9057 C.3 1 UNL11111111 -0.4614 3 C -4.2233 -1.2162 0.2864 C.3 1 UNL11111111 -0.4589 4 C -2.1394 0.0526 0.8710 C.3 1 UNL11111111 -0.3455 5 C -0.9242 0.7698 0.3613 C.2 1 UNL11111111 0.1314 6 S -1.0389 2.1987 -0.3638 S.2 1 UNL11111111 -0.2330 7 C 0.3574 0.0496 0.6288 C.3 1 UNL11111111 -0.3209 8 C 1.5629 0.5258 -0.1880 C.3 1 UNL11111111 -0.2855 9 C 2.8117 -0.3709 -0.0135 C.3 1 UNL11111111 0.1273 10 C 2.5548 -1.7781 -0.5751 C.3 1 UNL11111111 -0.4661 11 C 3.9653 0.2771 -0.8031 C.3 1 UNL11111111 -0.4682 12 C 3.2152 -0.4711 1.4650 C.3 1 UNL11111111 -0.4665 13 H -3.1625 0.1110 -1.0578 H 1 UNL11111111 0.1458 14 H -2.6577 -2.3005 -1.6684 H 1 UNL11111111 0.1484 15 H -1.1863 -1.3679 -1.3997 H 1 UNL11111111 0.1488 16 H -1.7590 -2.5008 -0.1632 H 1 UNL11111111 0.1436 17 H -4.7992 -1.7222 -0.4970 H 1 UNL11111111 0.1473 18 H -4.0404 -1.9465 1.0813 H 1 UNL11111111 0.1446 19 H -4.8615 -0.4269 0.6987 H 1 UNL11111111 0.1458 20 H -2.8280 0.7571 1.3888 H 1 UNL11111111 0.1694 21 H -1.8748 -0.6991 1.6425 H 1 UNL11111111 0.1530 22 H 0.5923 0.1401 1.7162 H 1 UNL11111111 0.1685 23 H 0.2137 -1.0432 0.4602 H 1 UNL11111111 0.1660 24 H 1.3012 0.5662 -1.2639 H 1 UNL11111111 0.1507 25 H 1.8242 1.5651 0.0956 H 1 UNL11111111 0.1553 26 H 2.2235 -1.7365 -1.6179 H 1 UNL11111111 0.1459 27 H 3.4646 -2.3873 -0.5427 H 1 UNL11111111 0.1452 28 H 1.7894 -2.3120 -0.0042 H 1 UNL11111111 0.1397 29 H 4.2080 1.2710 -0.4130 H 1 UNL11111111 0.1461 30 H 4.8752 -0.3283 -0.7470 H 1 UNL11111111 0.1433 31 H 3.7112 0.3905 -1.8621 H 1 UNL11111111 0.1462 32 H 2.4833 -1.0367 2.0493 H 1 UNL11111111 0.1407 33 H 4.1791 -0.9791 1.5770 H 1 UNL11111111 0.1446 34 H 3.3124 0.5207 1.9191 H 1 UNL11111111 0.1465 @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 9 10 1 10 9 11 1 11 9 12 1 12 1 13 1 13 2 14 1 14 2 15 1 15 2 16 1 16 3 17 1 17 3 18 1 18 3 19 1 19 4 20 1 20 4 21 1 21 7 22 1 22 7 23 1 23 8 24 1 24 8 25 1 25 10 26 1 26 10 27 1 27 10 28 1 28 11 29 1 29 11 30 1 30 11 31 1 31 12 32 1 32 12 33 1 33 12 34 1