@MOLECULE (5R)-3,3,5-trimethyloctane-4-thione 34 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.9338 -0.9475 0.4280 C.3 1 UNL111 -0.4357 2 C 2.7604 0.0304 0.5211 C.3 1 UNL111 -0.2640 3 C 1.4558 -0.4840 -0.1370 C.3 1 UNL111 0.0611 4 C 1.7172 -0.7470 -1.6310 C.3 1 UNL111 -0.4573 5 C 1.0093 -1.7767 0.5706 C.3 1 UNL111 -0.4579 6 C 0.3149 0.5195 -0.0283 C.2 1 UNL111 0.0760 7 S 0.4409 1.9280 0.7303 S.2 1 UNL111 -0.2186 8 C -0.9846 0.1055 -0.6836 C.3 1 UNL111 -0.1318 9 H -0.8662 -0.9038 -1.1611 H 1 UNL111 0.1481 10 C -1.3647 1.0944 -1.7933 C.3 1 UNL111 -0.4392 11 C -2.1028 -0.0107 0.3737 C.3 1 UNL111 -0.2738 12 C -3.2650 -0.8718 -0.1384 C.3 1 UNL111 -0.2496 13 C -4.3572 -0.9836 0.9253 C.3 1 UNL111 -0.4385 14 H 4.8185 -0.5321 0.9257 H 1 UNL111 0.1419 15 H 3.7101 -1.9036 0.9117 H 1 UNL111 0.1413 16 H 4.2148 -1.1532 -0.6099 H 1 UNL111 0.1407 17 H 2.5753 0.2578 1.5904 H 1 UNL111 0.1512 18 H 3.0622 0.9882 0.0518 H 1 UNL111 0.1496 19 H 2.5255 -1.4754 -1.7655 H 1 UNL111 0.1552 20 H 0.8401 -1.1517 -2.1459 H 1 UNL111 0.1465 21 H 2.0145 0.1722 -2.1482 H 1 UNL111 0.1515 22 H 0.8820 -1.6147 1.6472 H 1 UNL111 0.1527 23 H 0.0629 -2.1638 0.1800 H 1 UNL111 0.1469 24 H 1.7547 -2.5703 0.4431 H 1 UNL111 0.1556 25 H -2.2201 0.7246 -2.3699 H 1 UNL111 0.1456 26 H -1.6497 2.0752 -1.3910 H 1 UNL111 0.1629 27 H -0.5361 1.2513 -2.4929 H 1 UNL111 0.1458 28 H -1.7010 -0.4517 1.3058 H 1 UNL111 0.1415 29 H -2.4739 0.9950 0.6512 H 1 UNL111 0.1571 30 H -3.6834 -0.4349 -1.0647 H 1 UNL111 0.1359 31 H -2.9030 -1.8800 -0.4141 H 1 UNL111 0.1308 32 H -5.1968 -1.5908 0.5702 H 1 UNL111 0.1397 33 H -3.9788 -1.4487 1.8425 H 1 UNL111 0.1436 34 H -4.7550 0.0012 1.1963 H 1 UNL111 0.1449 @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 8 10 1 10 8 11 1 11 11 12 1 12 12 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 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