@MOLECULE 4-methyl-1-[(1R)-1-methylpropyl]sulfanyl-pentane 33 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.1787 1.6398 -0.5511 C.3 1 UNL111111111 -0.4395 2 C 4.0826 0.2454 0.0671 C.3 1 UNL111111111 -0.2590 3 C 2.7988 -0.4880 -0.3357 C.3 1 UNL111111111 -0.1106 4 H 2.5987 -0.3262 -1.4194 H 1 UNL111111111 0.1450 5 C 2.9184 -1.9799 -0.0504 C.3 1 UNL111111111 -0.4588 6 S 1.3852 0.2457 0.6196 S.3 1 UNL111111111 -0.0999 7 C -0.0708 -0.4333 -0.2811 C.3 1 UNL111111111 -0.3078 8 C -1.3443 0.1312 0.3418 C.3 1 UNL111111111 -0.2623 9 C -2.5743 -0.4531 -0.3704 C.3 1 UNL111111111 -0.2880 10 C -3.8851 0.0633 0.2535 C.3 1 UNL111111111 -0.0580 11 C -4.1379 1.5261 -0.1292 C.3 1 UNL111111111 -0.4538 12 C -5.0588 -0.8062 -0.2170 C.3 1 UNL111111111 -0.4569 13 H 5.1346 2.1148 -0.3020 H 1 UNL111111111 0.1414 14 H 4.1026 1.6044 -1.6433 H 1 UNL111111111 0.1415 15 H 3.3850 2.3056 -0.1895 H 1 UNL111111111 0.1576 16 H 4.9579 -0.3559 -0.2581 H 1 UNL111111111 0.1410 17 H 4.1788 0.3093 1.1696 H 1 UNL111111111 0.1491 18 H 3.1033 -2.1852 1.0130 H 1 UNL111111111 0.1593 19 H 2.0178 -2.5368 -0.3356 H 1 UNL111111111 0.1474 20 H 3.7527 -2.4219 -0.6116 H 1 UNL111111111 0.1486 21 H -0.0044 -0.1636 -1.3492 H 1 UNL111111111 0.1492 22 H -0.0606 -1.5357 -0.2216 H 1 UNL111111111 0.1500 23 H -1.3965 -0.1045 1.4239 H 1 UNL111111111 0.1487 24 H -1.3619 1.2375 0.2716 H 1 UNL111111111 0.1501 25 H -2.5470 -0.2052 -1.4470 H 1 UNL111111111 0.1395 26 H -2.5469 -1.5576 -0.3126 H 1 UNL111111111 0.1372 27 H -3.8100 -0.0114 1.3652 H 1 UNL111111111 0.1305 28 H -3.3260 2.1766 0.2133 H 1 UNL111111111 0.1440 29 H -4.2219 1.6479 -1.2144 H 1 UNL111111111 0.1441 30 H -5.0664 1.8973 0.3172 H 1 UNL111111111 0.1416 31 H -4.9330 -1.8491 0.0914 H 1 UNL111111111 0.1413 32 H -6.0067 -0.4521 0.2020 H 1 UNL111111111 0.1431 33 H -5.1560 -0.7914 -1.3076 H 1 UNL111111111 0.1442 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 10 12 1 12 1 13 1 13 1 14 1 14 1 15 1 15 2 16 1 16 2 17 1 17 5 18 1 18 5 19 1 19 5 20 1 20 7 21 1 21 7 22 1 22 8 23 1 23 8 24 1 24 9 25 1 25 9 26 1 26 10 27 1 27 11 28 1 28 11 29 1 29 11 30 1 30 12 31 1 31 12 32 1 32 12 33 1