@MOLECULE 3,3,8-trimethylnonane-4-thione 37 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.8726 -0.3019 0.2088 C.3 1 UNL11111111 -0.4362 2 C 3.5378 0.4322 0.0626 C.3 1 UNL11111111 -0.2655 3 C 2.2946 -0.4926 0.0579 C.3 1 UNL11111111 0.0596 4 C 2.3985 -1.4827 -1.1157 C.3 1 UNL11111111 -0.4582 5 C 2.2315 -1.2590 1.3911 C.3 1 UNL11111111 -0.4583 6 C 0.9958 0.2970 -0.1054 C.2 1 UNL11111111 0.0954 7 S 0.9546 1.8902 -0.2975 S.2 1 UNL11111111 -0.2271 8 C -0.2511 -0.5323 -0.0843 C.3 1 UNL11111111 -0.3214 9 C -1.5769 0.2367 -0.1643 C.3 1 UNL11111111 -0.2565 10 C -2.7573 -0.7382 -0.0523 C.3 1 UNL11111111 -0.2931 11 C -4.1044 -0.0084 -0.2186 C.3 1 UNL11111111 -0.0560 12 C -5.2267 -1.0371 -0.4115 C.3 1 UNL11111111 -0.4596 13 C -4.4110 0.8696 1.0003 C.3 1 UNL11111111 -0.4547 14 H 5.7030 0.4154 0.2176 H 1 UNL11111111 0.1431 15 H 4.9303 -0.8722 1.1415 H 1 UNL11111111 0.1407 16 H 5.0537 -0.9937 -0.6203 H 1 UNL11111111 0.1409 17 H 3.4494 1.1683 0.8874 H 1 UNL11111111 0.1508 18 H 3.5668 1.0223 -0.8762 H 1 UNL11111111 0.1522 19 H 3.3370 -2.0485 -1.0695 H 1 UNL11111111 0.1563 20 H 1.5898 -2.2200 -1.1112 H 1 UNL11111111 0.1440 21 H 2.3799 -0.9615 -2.0797 H 1 UNL11111111 0.1527 22 H 2.0551 -0.5793 2.2325 H 1 UNL11111111 0.1525 23 H 1.4468 -2.0220 1.3976 H 1 UNL11111111 0.1443 24 H 3.1751 -1.7823 1.5877 H 1 UNL11111111 0.1562 25 H -0.2165 -1.2645 -0.9250 H 1 UNL11111111 0.1658 26 H -0.2660 -1.1569 0.8390 H 1 UNL11111111 0.1654 27 H -1.6393 0.9918 0.6436 H 1 UNL11111111 0.1533 28 H -1.6450 0.8011 -1.1143 H 1 UNL11111111 0.1516 29 H -2.6675 -1.5264 -0.8230 H 1 UNL11111111 0.1345 30 H -2.7326 -1.2599 0.9216 H 1 UNL11111111 0.1369 31 H -4.0540 0.6394 -1.1272 H 1 UNL11111111 0.1314 32 H -5.3201 -1.6948 0.4590 H 1 UNL11111111 0.1436 33 H -6.1943 -0.5444 -0.5549 H 1 UNL11111111 0.1434 34 H -5.0470 -1.6677 -1.2881 H 1 UNL11111111 0.1406 35 H -4.4279 0.2827 1.9244 H 1 UNL11111111 0.1429 36 H -3.6615 1.6594 1.1242 H 1 UNL11111111 0.1470 37 H -5.3868 1.3566 0.9016 H 1 UNL11111111 0.1415 @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 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 11 13 1 13 1 14 1 14 1 15 1 15 1 16 1 16 2 17 1 17 2 18 1 18 4 19 1 19 4 20 1 20 4 21 1 21 5 22 1 22 5 23 1 23 5 24 1 24 8 25 1 25 8 26 1 26 9 27 1 27 9 28 1 28 10 29 1 29 10 30 1 30 11 31 1 31 12 32 1 32 12 33 1 33 12 34 1 34 13 35 1 35 13 36 1 36 13 37 1