@MOLECULE methyl 3-methylbutyl sulfoxide 22 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.8530 1.1512 0.3742 C.3 1 UNL1 -0.6768 2 S 1.7889 -0.1025 -0.4243 S.O 1 UNL1 1.0986 3 O 2.0872 -1.3880 0.2509 O.2 1 UNL1 -0.7973 4 C 0.1831 0.4790 0.2697 C.3 1 UNL1 -0.5017 5 C -0.9588 -0.3972 -0.2352 C.3 1 UNL1 -0.2686 6 C -2.3115 0.0489 0.3618 C.3 1 UNL1 -0.0576 7 C -2.7701 1.3826 -0.2403 C.3 1 UNL1 -0.4559 8 C -3.3696 -1.0299 0.0973 C.3 1 UNL1 -0.4587 9 H 3.8995 0.9499 0.1211 H 1 UNL1 0.1768 10 H 2.6068 2.1554 0.0291 H 1 UNL1 0.1631 11 H 2.7865 1.1296 1.4651 H 1 UNL1 0.1726 12 H 0.2125 0.4592 1.3732 H 1 UNL1 0.1634 13 H 0.0286 1.5295 -0.0228 H 1 UNL1 0.1544 14 H -1.0233 -0.3791 -1.3396 H 1 UNL1 0.1395 15 H -0.7762 -1.4593 0.0397 H 1 UNL1 0.1582 16 H -2.1953 0.1719 1.4656 H 1 UNL1 0.1314 17 H -2.0608 2.1876 -0.0252 H 1 UNL1 0.1383 18 H -2.8780 1.3165 -1.3279 H 1 UNL1 0.1427 19 H -3.7408 1.6857 0.1673 H 1 UNL1 0.1421 20 H -3.0825 -1.9892 0.5428 H 1 UNL1 0.1481 21 H -4.3384 -0.7485 0.5239 H 1 UNL1 0.1439 22 H -3.5180 -1.1934 -0.9751 H 1 UNL1 0.1436 @BOND 1 14 5 1 2 18 7 1 3 22 8 1 4 2 3 2 5 2 4 1 6 2 1 1 7 7 17 1 8 7 19 1 9 7 6 1 10 5 15 1 11 5 4 1 12 5 6 1 13 13 4 1 14 10 1 1 15 8 6 1 16 8 21 1 17 8 20 1 18 9 1 1 19 4 12 1 20 6 16 1 21 1 11 1