@MOLECULE 2-methyl-4-thianonane 30 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.7039 -0.3454 -0.2786 C.3 1 UNL1111 -0.4393 2 C 4.4354 0.4293 0.0769 C.3 1 UNL1111 -0.2493 3 C 3.1812 -0.4097 -0.2017 C.3 1 UNL1111 -0.2719 4 C 1.9161 0.3785 0.1734 C.3 1 UNL1111 -0.2646 5 C 0.6753 -0.4711 -0.0837 C.3 1 UNL1111 -0.3106 6 S -0.8104 0.4622 0.4786 S.3 1 UNL1111 -0.0667 7 C -2.1630 -0.6383 -0.1093 C.3 1 UNL1111 -0.3324 8 C -3.5282 -0.0071 0.1926 C.3 1 UNL1111 -0.0479 9 C -3.8121 1.1868 -0.7258 C.3 1 UNL1111 -0.4548 10 C -4.6182 -1.0740 -0.0007 C.3 1 UNL1111 -0.4570 11 H 6.6013 0.2507 -0.0789 H 1 UNL1111 0.1406 12 H 5.7867 -1.2695 0.3042 H 1 UNL1111 0.1425 13 H 5.7216 -0.6203 -1.3389 H 1 UNL1111 0.1424 14 H 4.4619 0.7270 1.1425 H 1 UNL1111 0.1353 15 H 4.3948 1.3731 -0.5002 H 1 UNL1111 0.1351 16 H 3.1490 -0.6998 -1.2680 H 1 UNL1111 0.1373 17 H 3.2254 -1.3549 0.3707 H 1 UNL1111 0.1377 18 H 1.9759 0.6850 1.2376 H 1 UNL1111 0.1494 19 H 1.8786 1.3196 -0.4118 H 1 UNL1111 0.1486 20 H 0.5810 -0.7122 -1.1565 H 1 UNL1111 0.1495 21 H 0.7345 -1.4293 0.4621 H 1 UNL1111 0.1511 22 H -2.0528 -0.8214 -1.1915 H 1 UNL1111 0.1526 23 H -2.0720 -1.6174 0.3942 H 1 UNL1111 0.1515 24 H -3.5623 0.3372 1.2569 H 1 UNL1111 0.1420 25 H -3.7427 0.9095 -1.7830 H 1 UNL1111 0.1446 26 H -4.8178 1.5862 -0.5545 H 1 UNL1111 0.1432 27 H -3.1070 2.0096 -0.5579 H 1 UNL1111 0.1554 28 H -4.4674 -1.9287 0.6669 H 1 UNL1111 0.1429 29 H -5.6111 -0.6628 0.2140 H 1 UNL1111 0.1471 30 H -4.6351 -1.4508 -1.0285 H 1 UNL1111 0.1457 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 8 10 1 10 1 11 1 11 1 12 1 12 1 13 1 13 2 14 1 14 2 15 1 15 3 16 1 16 3 17 1 17 4 18 1 18 4 19 1 19 5 20 1 20 5 21 1 21 7 22 1 22 7 23 1 23 8 24 1 24 9 25 1 25 9 26 1 26 9 27 1 27 10 28 1 28 10 29 1 29 10 30 1