@MOLECULE (methylsulfinyl)ethane 13 12 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.7448 -0.9631 -0.1910 C.3 1 UNL1 -0.6787 2 S 0.4295 0.1524 0.4158 S.O 1 UNL1 1.0993 3 O 0.5455 1.3966 -0.3818 O.2 1 UNL1 -0.7963 4 C -1.0054 -0.7772 -0.2790 C.3 1 UNL1 -0.4806 5 C -2.2986 -0.0403 0.0253 C.3 1 UNL1 -0.4199 6 H 2.7217 -0.5508 0.0835 H 1 UNL1 0.1779 7 H 1.6572 -1.9550 0.2522 H 1 UNL1 0.1631 8 H 1.7449 -1.0645 -1.2795 H 1 UNL1 0.1727 9 H -0.8920 -0.9033 -1.3701 H 1 UNL1 0.1607 10 H -1.0176 -1.7894 0.1550 H 1 UNL1 0.1507 11 H -2.3099 0.9680 -0.4188 H 1 UNL1 0.1640 12 H -3.1627 -0.5758 -0.3909 H 1 UNL1 0.1434 13 H -2.4819 0.0732 1.1009 H 1 UNL1 0.1436 @BOND 1 9 4 1 2 8 1 1 3 11 5 1 4 12 5 1 5 3 2 2 6 4 5 1 7 4 10 1 8 4 2 1 9 1 6 1 10 1 7 1 11 1 2 1 12 5 13 1