@MOLECULE s-methyl 2,2-dimethylpropanethioate 20 19 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.2939 1.0854 0.0140 C.3 1 UNL111111111 -0.4496 2 C 1.3241 -0.1058 0.0002 C.3 1 UNL111111111 0.0359 3 C 1.5478 -0.9343 -1.2684 C.3 1 UNL111111111 -0.4557 4 C 1.5414 -0.9575 1.2544 C.3 1 UNL111111111 -0.4558 5 C -0.0916 0.4582 -0.0000 C.2 1 UNL111111111 0.4045 6 O -0.3413 1.6295 -0.0004 O.2 1 UNL111111111 -0.4327 7 S -1.4597 -0.7438 -0.0007 S.3 1 UNL111111111 -0.0989 8 C -2.9068 0.3568 0.0016 C.3 1 UNL111111111 -0.4703 9 H 2.1467 1.7330 -0.8600 H 1 UNL111111111 0.1588 10 H 2.1423 1.7156 0.8997 H 1 UNL111111111 0.1585 11 H 3.3366 0.7532 0.0131 H 1 UNL111111111 0.1487 12 H 2.6025 -1.2223 -1.3625 H 1 UNL111111111 0.1559 13 H 0.9665 -1.8641 -1.2732 H 1 UNL111111111 0.1588 14 H 1.2840 -0.3732 -2.1731 H 1 UNL111111111 0.1543 15 H 1.2653 -0.4156 2.1672 H 1 UNL111111111 0.1543 16 H 0.9664 -1.8910 1.2360 H 1 UNL111111111 0.1588 17 H 2.5970 -1.2407 1.3535 H 1 UNL111111111 0.1558 18 H -2.9234 1.0005 0.8901 H 1 UNL111111111 0.1740 19 H -2.9170 1.0129 -0.8779 H 1 UNL111111111 0.1742 20 H -3.8155 -0.2561 -0.0060 H 1 UNL111111111 0.1705 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 1 9 1 9 1 10 1 10 1 11 1 11 3 12 1 12 3 13 1 13 3 14 1 14 4 15 1 15 4 16 1 16 4 17 1 17 8 18 1 18 8 19 1 19 8 20 1