@MOLECULE (6R)-2,6-dimethylnonane-5-thione 34 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.5288 0.6525 -0.2828 C.3 1 UNL111 -0.0620 2 C -4.8413 -0.1259 -0.1221 C.3 1 UNL111 -0.4559 3 C -3.5528 1.8983 0.6108 C.3 1 UNL111 -0.4538 4 C -2.3441 -0.2673 0.0756 C.3 1 UNL111 -0.2744 5 C -1.0090 0.3552 -0.3476 C.3 1 UNL111 -0.3203 6 C 0.2127 -0.4631 -0.0738 C.2 1 UNL111 0.1015 7 S 0.2177 -1.8404 0.7465 S.2 1 UNL111 -0.2140 8 C 1.4638 0.1442 -0.6720 C.3 1 UNL111 -0.1349 9 H 1.2601 1.2092 -0.9599 H 1 UNL111 0.1441 10 C 1.8210 -0.6317 -1.9481 C.3 1 UNL111 -0.4392 11 C 2.6386 0.1530 0.3245 C.3 1 UNL111 -0.2734 12 C 3.7310 1.1395 -0.1117 C.3 1 UNL111 -0.2509 13 C 4.9131 1.0954 0.8570 C.3 1 UNL111 -0.4389 14 H -3.4327 0.9731 -1.3477 H 1 UNL111 0.1262 15 H -5.7067 0.4996 -0.3649 H 1 UNL111 0.1418 16 H -4.8721 -0.9996 -0.7822 H 1 UNL111 0.1434 17 H -4.9715 -0.4829 0.9056 H 1 UNL111 0.1476 18 H -3.5977 1.6287 1.6721 H 1 UNL111 0.1475 19 H -2.6638 2.5197 0.4640 H 1 UNL111 0.1383 20 H -4.4261 2.5233 0.3955 H 1 UNL111 0.1416 21 H -2.3531 -0.4756 1.1628 H 1 UNL111 0.1561 22 H -2.4788 -1.2492 -0.4193 H 1 UNL111 0.1505 23 H -1.0535 0.5945 -1.4357 H 1 UNL111 0.1617 24 H -0.8945 1.3437 0.1584 H 1 UNL111 0.1670 25 H 2.1244 -1.6631 -1.7260 H 1 UNL111 0.1606 26 H 0.9767 -0.6762 -2.6450 H 1 UNL111 0.1450 27 H 2.6587 -0.1581 -2.4730 H 1 UNL111 0.1484 28 H 2.2810 0.4264 1.3357 H 1 UNL111 0.1441 29 H 3.0687 -0.8624 0.4240 H 1 UNL111 0.1573 30 H 4.0761 0.9003 -1.1353 H 1 UNL111 0.1345 31 H 3.3216 2.1660 -0.1608 H 1 UNL111 0.1314 32 H 5.6967 1.8003 0.5591 H 1 UNL111 0.1397 33 H 4.6070 1.3542 1.8771 H 1 UNL111 0.1444 34 H 5.3642 0.0967 0.8922 H 1 UNL111 0.1451 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 8 10 1 10 8 11 1 11 11 12 1 12 12 13 1 13 1 14 1 14 2 15 1 15 2 16 1 16 2 17 1 17 3 18 1 18 3 19 1 19 3 20 1 20 4 21 1 21 4 22 1 22 5 23 1 23 5 24 1 24 10 25 1 25 10 26 1 26 10 27 1 27 11 28 1 28 11 29 1 29 12 30 1 30 12 31 1 31 13 32 1 32 13 33 1 33 13 34 1