@MOLECULE (6S)-3,3,6-trimethylnonane-5-thione 37 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.5562 -1.2888 -0.2905 C.3 1 UNL11111111 -0.4315 2 C 3.1797 -1.2693 0.3735 C.3 1 UNL11111111 -0.2830 3 C 2.2322 -0.1482 -0.1470 C.3 1 UNL11111111 0.1384 4 C 2.9589 1.1993 -0.1331 C.3 1 UNL11111111 -0.4686 5 C 1.7687 -0.4947 -1.5657 C.3 1 UNL11111111 -0.4696 6 C 1.0256 -0.1236 0.8431 C.3 1 UNL11111111 -0.3618 7 C -0.2550 0.4983 0.3747 C.2 1 UNL11111111 0.1254 8 S -0.3828 2.0090 -0.1511 S.2 1 UNL11111111 -0.2303 9 C -1.4525 -0.4080 0.5645 C.3 1 UNL11111111 -0.1341 10 H -1.1615 -1.4510 0.2663 H 1 UNL11111111 0.1501 11 C -1.7894 -0.3977 2.0663 C.3 1 UNL11111111 -0.4416 12 C -2.6826 -0.0209 -0.2744 C.3 1 UNL11111111 -0.2737 13 C -3.7797 -1.0927 -0.1862 C.3 1 UNL11111111 -0.2506 14 C -4.9026 -0.7988 -1.1805 C.3 1 UNL11111111 -0.4393 15 H 5.1604 -0.4246 0.0084 H 1 UNL11111111 0.1441 16 H 5.1134 -2.1888 -0.0064 H 1 UNL11111111 0.1374 17 H 4.4839 -1.2805 -1.3836 H 1 UNL11111111 0.1441 18 H 2.6907 -2.2507 0.2216 H 1 UNL11111111 0.1341 19 H 3.3127 -1.1572 1.4665 H 1 UNL11111111 0.1332 20 H 3.8439 1.1847 -0.7783 H 1 UNL11111111 0.1468 21 H 2.3235 2.0136 -0.5004 H 1 UNL11111111 0.1666 22 H 3.2865 1.4700 0.8736 H 1 UNL11111111 0.1427 23 H 1.1030 -1.3629 -1.5740 H 1 UNL11111111 0.1424 24 H 1.2375 0.3378 -2.0395 H 1 UNL11111111 0.1560 25 H 2.6223 -0.7273 -2.2131 H 1 UNL11111111 0.1494 26 H 0.8375 -1.1727 1.1643 H 1 UNL11111111 0.1530 27 H 1.3566 0.3968 1.7719 H 1 UNL11111111 0.1708 28 H -0.9443 -0.7291 2.6786 H 1 UNL11111111 0.1436 29 H -2.0780 0.6047 2.4057 H 1 UNL11111111 0.1565 30 H -2.6307 -1.0658 2.2850 H 1 UNL11111111 0.1518 31 H -3.0925 0.9533 0.0559 H 1 UNL11111111 0.1564 32 H -2.3908 0.1177 -1.3340 H 1 UNL11111111 0.1488 33 H -3.3566 -2.0956 -0.3816 H 1 UNL11111111 0.1315 34 H -4.1912 -1.1293 0.8410 H 1 UNL11111111 0.1327 35 H -5.7317 -1.5048 -1.0639 H 1 UNL11111111 0.1387 36 H -5.3075 0.2102 -1.0407 H 1 UNL11111111 0.1455 37 H -4.5510 -0.8714 -2.2160 H 1 UNL11111111 0.1440 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 9 11 1 11 9 12 1 12 12 13 1 13 13 14 1 14 1 15 1 15 1 16 1 16 1 17 1 17 2 18 1 18 2 19 1 19 4 20 1 20 4 21 1 21 4 22 1 22 5 23 1 23 5 24 1 24 5 25 1 25 6 26 1 26 6 27 1 27 11 28 1 28 11 29 1 29 11 30 1 30 12 31 1 31 12 32 1 32 13 33 1 33 13 34 1 34 14 35 1 35 14 36 1 36 14 37 1