@MOLECULE s-methyl propanethioate 14 13 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.8460 0.0785 -0.0733 C.3 1 UNL111111111111 -0.4186 2 C 1.5659 -0.7425 0.0592 C.3 1 UNL111111111111 -0.3480 3 C 0.3660 0.1544 0.0297 C.2 1 UNL111111111111 0.4314 4 O 0.3930 1.3506 0.0393 O.2 1 UNL111111111111 -0.4226 5 S -1.2212 -0.7401 -0.0096 S.3 1 UNL111111111111 -0.1040 6 C -2.4257 0.6194 -0.0290 C.3 1 UNL111111111111 -0.4740 7 H 2.9377 0.8113 0.7404 H 1 UNL111111111111 0.1589 8 H 3.7358 -0.5599 -0.0511 H 1 UNL111111111111 0.1462 9 H 2.8639 0.6484 -1.0118 H 1 UNL111111111111 0.1564 10 H 1.5186 -1.5045 -0.7494 H 1 UNL111111111111 0.1754 11 H 1.5854 -1.3229 1.0090 H 1 UNL111111111111 0.1764 12 H -3.4342 0.2058 0.0922 H 1 UNL111111111111 0.1721 13 H -2.2425 1.3345 0.7839 H 1 UNL111111111111 0.1771 14 H -2.3880 1.1790 -0.9720 H 1 UNL111111111111 0.1732 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 3 5 1 5 5 6 1 6 1 7 1 7 1 8 1 8 1 9 1 9 2 10 1 10 2 11 1 11 6 12 1 12 6 13 1 13 6 14 1