@MOLECULE (3R)-3,7,7-trimethyloctane-4-thione 34 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.2631 -1.3678 -0.7930 C.3 1 UNL11111111 -0.4399 2 C 3.2652 -0.2137 -0.6963 C.3 1 UNL11111111 -0.2516 3 C 2.0782 -0.5745 0.2178 C.3 1 UNL11111111 -0.1324 4 H 1.7629 -1.6194 -0.0422 H 1 UNL11111111 0.1449 5 C 2.4864 -0.5580 1.6982 C.3 1 UNL11111111 -0.4387 6 C 0.9047 0.3644 0.0356 C.2 1 UNL11111111 0.1005 7 S 1.0654 1.9564 -0.0632 S.2 1 UNL11111111 -0.2176 8 C -0.4019 -0.3611 -0.0173 C.3 1 UNL11111111 -0.3194 9 C -1.6555 0.5163 -0.0851 C.3 1 UNL11111111 -0.2846 10 C -2.9712 -0.2989 -0.0694 C.3 1 UNL11111111 0.1270 11 C -3.1280 -1.0529 1.2600 C.3 1 UNL11111111 -0.4665 12 C -4.1383 0.6960 -0.2182 C.3 1 UNL11111111 -0.4689 13 C -3.0176 -1.2960 -1.2369 C.3 1 UNL11111111 -0.4664 14 H 5.0870 -1.1172 -1.4711 H 1 UNL11111111 0.1438 15 H 4.7046 -1.6018 0.1820 H 1 UNL11111111 0.1436 16 H 3.7930 -2.2807 -1.1738 H 1 UNL11111111 0.1406 17 H 3.7785 0.6944 -0.3233 H 1 UNL11111111 0.1545 18 H 2.8992 0.0421 -1.7102 H 1 UNL11111111 0.1415 19 H 1.6248 -0.7025 2.3592 H 1 UNL11111111 0.1444 20 H 3.2050 -1.3571 1.9140 H 1 UNL11111111 0.1486 21 H 2.9628 0.3904 1.9772 H 1 UNL11111111 0.1595 22 H -0.3929 -1.0471 -0.8974 H 1 UNL11111111 0.1665 23 H -0.4783 -1.0341 0.8692 H 1 UNL11111111 0.1654 24 H -1.6686 1.2282 0.7642 H 1 UNL11111111 0.1531 25 H -1.6310 1.1402 -1.0007 H 1 UNL11111111 0.1536 26 H -3.0423 -0.3739 2.1150 H 1 UNL11111111 0.1464 27 H -4.1070 -1.5400 1.3241 H 1 UNL11111111 0.1445 28 H -2.3710 -1.8341 1.3777 H 1 UNL11111111 0.1402 29 H -4.0748 1.2486 -1.1611 H 1 UNL11111111 0.1460 30 H -5.1041 0.1815 -0.2039 H 1 UNL11111111 0.1435 31 H -4.1446 1.4289 0.5951 H 1 UNL11111111 0.1463 32 H -2.2802 -2.0955 -1.1196 H 1 UNL11111111 0.1407 33 H -4.0008 -1.7736 -1.3088 H 1 UNL11111111 0.1442 34 H -2.8239 -0.7985 -2.1930 H 1 UNL11111111 0.1465 @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 10 12 1 12 10 13 1 13 1 14 1 14 1 15 1 15 1 16 1 16 2 17 1 17 2 18 1 18 5 19 1 19 5 20 1 20 5 21 1 21 8 22 1 22 8 23 1 23 9 24 1 24 9 25 1 25 11 26 1 26 11 27 1 27 11 28 1 28 12 29 1 29 12 30 1 30 12 31 1 31 13 32 1 32 13 33 1 33 13 34 1