@MOLECULE 2-[(R)-tert-butylsulfinyl]-2-methyl-pentane 34 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.6001 -0.8168 1.6361 C.3 1 UNL1 -0.4659 2 C -1.4853 -0.9794 0.1268 C.3 1 UNL1 -0.0517 3 C -0.6988 -2.2389 -0.2253 C.3 1 UNL1 -0.4663 4 C -2.8895 -1.0680 -0.4781 C.3 1 UNL1 -0.4556 5 S -0.6950 0.4979 -0.7370 S.O 1 UNL1 0.9188 6 O -1.6900 1.5978 -0.5516 O.2 1 UNL1 -0.7953 7 C 0.7940 1.0947 0.2564 C.3 1 UNL1 -0.0726 8 C 1.4722 2.1095 -0.6690 C.3 1 UNL1 -0.4525 9 C 0.3413 1.8212 1.5216 C.3 1 UNL1 -0.4702 10 C 1.7547 -0.0377 0.6325 C.3 1 UNL1 -0.2983 11 C 2.4431 -0.7231 -0.5569 C.3 1 UNL1 -0.2476 12 C 3.2670 -1.9216 -0.0821 C.3 1 UNL1 -0.4424 13 H -0.6313 -0.8464 2.1455 H 1 UNL1 0.1412 14 H -2.1001 0.1264 1.9054 H 1 UNL1 0.1665 15 H -2.2055 -1.6233 2.0725 H 1 UNL1 0.1514 16 H -1.2259 -3.1318 0.1402 H 1 UNL1 0.1527 17 H -0.5769 -2.3723 -1.3073 H 1 UNL1 0.1505 18 H 0.2984 -2.2633 0.2288 H 1 UNL1 0.1492 19 H -3.4709 -0.1477 -0.2994 H 1 UNL1 0.1749 20 H -2.8769 -1.2345 -1.5617 H 1 UNL1 0.1482 21 H -3.4584 -1.8932 -0.0338 H 1 UNL1 0.1438 22 H 0.8251 2.9797 -0.8609 H 1 UNL1 0.1657 23 H 2.3928 2.4957 -0.2134 H 1 UNL1 0.1466 24 H 1.7504 1.6904 -1.6428 H 1 UNL1 0.1467 25 H 0.0067 1.1434 2.3123 H 1 UNL1 0.1435 26 H 1.1535 2.4266 1.9434 H 1 UNL1 0.1478 27 H -0.4927 2.5162 1.3172 H 1 UNL1 0.1827 28 H 2.5414 0.3797 1.2984 H 1 UNL1 0.1481 29 H 1.2400 -0.7924 1.2586 H 1 UNL1 0.1402 30 H 1.7073 -1.0534 -1.3126 H 1 UNL1 0.1393 31 H 3.1029 -0.0023 -1.0776 H 1 UNL1 0.1387 32 H 4.0339 -1.6202 0.6399 H 1 UNL1 0.1420 33 H 2.6414 -2.6799 0.4009 H 1 UNL1 0.1407 34 H 3.7800 -2.4059 -0.9203 H 1 UNL1 0.1396 @BOND 1 24 8 1 2 20 4 1 3 30 11 1 4 17 3 1 5 31 11 1 6 34 12 1 7 22 8 1 8 5 6 2 9 5 2 1 10 5 7 1 11 8 23 1 12 8 7 1 13 11 12 1 14 11 10 1 15 4 19 1 16 4 21 1 17 4 2 1 18 3 2 1 19 3 16 1 20 3 18 1 21 12 33 1 22 12 32 1 23 2 1 1 24 7 10 1 25 7 9 1 26 10 29 1 27 10 28 1 28 27 9 1 29 9 26 1 30 9 25 1 31 1 14 1 32 1 15 1 33 1 13 1