@MOLECULE tert-butyl methyl sulfoxide 19 18 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.6279 1.3528 0.2030 C.3 1 UNL1 -0.6624 2 S 0.8731 -0.1522 -0.5036 S.O 1 UNL1 1.0348 3 O 1.3845 -1.2858 0.3111 O.2 1 UNL1 -0.7972 4 C -0.9188 0.0495 0.0335 C.3 1 UNL1 -0.0769 5 C -1.5054 1.2933 -0.6286 C.3 1 UNL1 -0.4622 6 C -1.6457 -1.2007 -0.4618 C.3 1 UNL1 -0.4562 7 C -1.0304 0.1423 1.5510 C.3 1 UNL1 -0.4642 8 H 2.7067 1.3292 0.0128 H 1 UNL1 0.1770 9 H 1.2187 2.2526 -0.2566 H 1 UNL1 0.1633 10 H 1.5024 1.4215 1.2869 H 1 UNL1 0.1727 11 H -1.4084 1.2780 -1.7207 H 1 UNL1 0.1478 12 H -2.5820 1.3664 -0.4157 H 1 UNL1 0.1543 13 H -1.0577 2.2228 -0.2596 H 1 UNL1 0.1435 14 H -1.2177 -2.1205 -0.0319 H 1 UNL1 0.1688 15 H -2.7030 -1.1820 -0.1686 H 1 UNL1 0.1471 16 H -1.6208 -1.3044 -1.5528 H 1 UNL1 0.1459 17 H -0.6066 1.0673 1.9554 H 1 UNL1 0.1416 18 H -2.0791 0.1083 1.8734 H 1 UNL1 0.1494 19 H -0.5217 -0.7001 2.0484 H 1 UNL1 0.1729 @BOND 1 11 5 1 2 16 6 1 3 5 12 1 4 5 13 1 5 5 4 1 6 2 4 1 7 2 1 1 8 2 3 2 9 6 15 1 10 6 14 1 11 6 4 1 12 9 1 1 13 8 1 1 14 4 7 1 15 1 10 1 16 7 18 1 17 7 17 1 18 7 19 1