@MOLECULE 4,4-dimethylhexane-3-thione 25 24 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.1404 0.6812 -0.0037 C.3 1 UNL1111111 -0.4247 2 C 1.6664 1.0831 0.0025 C.3 1 UNL1111111 -0.2971 3 C 0.6719 -0.0394 0.0012 C.2 1 UNL1111111 0.0908 4 S 1.1273 -1.5781 0.0008 S.2 1 UNL1111111 -0.2223 5 C -0.7932 0.3983 0.0005 C.3 1 UNL1111111 0.0586 6 C -1.0432 1.2440 1.2619 C.3 1 UNL1111111 -0.4583 7 C -1.0420 1.2457 -1.2601 C.3 1 UNL1111111 -0.4583 8 C -1.7616 -0.8117 -0.0016 C.3 1 UNL1111111 -0.2645 9 C -3.2448 -0.4340 -0.0019 C.3 1 UNL1111111 -0.4355 10 H 3.7846 1.5683 0.0027 H 1 UNL1111111 0.1388 11 H 3.4090 0.0795 0.8741 H 1 UNL1111111 0.1574 12 H 3.4049 0.0948 -0.8931 H 1 UNL1111111 0.1570 13 H 1.4833 1.7343 0.8894 H 1 UNL1111111 0.1624 14 H 1.4783 1.7402 -0.8789 H 1 UNL1111111 0.1623 15 H -0.4539 2.1660 1.2698 H 1 UNL1111111 0.1432 16 H -2.0955 1.5466 1.3284 H 1 UNL1111111 0.1570 17 H -0.8081 0.6805 2.1720 H 1 UNL1111111 0.1527 18 H -0.8089 0.6819 -2.1706 H 1 UNL1111111 0.1528 19 H -2.0935 1.5511 -1.3257 H 1 UNL1111111 0.1570 20 H -0.4503 2.1661 -1.2681 H 1 UNL1111111 0.1431 21 H -1.5623 -1.4459 -0.8894 H 1 UNL1111111 0.1515 22 H -1.5628 -1.4490 0.8841 H 1 UNL1111111 0.1516 23 H -3.8685 -1.3368 0.0002 H 1 UNL1111111 0.1430 24 H -3.5209 0.1502 0.8819 H 1 UNL1111111 0.1408 25 H -3.5215 0.1455 -0.8886 H 1 UNL1111111 0.1407 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 3 5 1 5 5 6 1 6 5 7 1 7 5 8 1 8 8 9 1 9 1 10 1 10 1 11 1 11 1 12 1 12 2 13 1 13 2 14 1 14 6 15 1 15 6 16 1 16 6 17 1 17 7 18 1 18 7 19 1 19 7 20 1 20 8 21 1 21 8 22 1 22 9 23 1 23 9 24 1 24 9 25 1