@MOLECULE s-butyl ethanethioate 20 19 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.5910 -0.4199 0.0023 C.3 1 UNL111111111 -0.5353 2 C 2.2751 0.2755 0.0011 C.2 1 UNL111111111 0.4590 3 O 2.1293 1.4646 0.0013 O.2 1 UNL111111111 -0.4349 4 S 0.8416 -0.8403 -0.0018 S.3 1 UNL111111111 -0.1327 5 C -0.5498 0.3623 -0.0039 C.3 1 UNL111111111 -0.2969 6 C -1.8740 -0.3915 0.0020 C.3 1 UNL111111111 -0.2705 7 C -3.0414 0.6099 -0.0021 C.3 1 UNL111111111 -0.2469 8 C -4.3827 -0.1219 0.0033 C.3 1 UNL111111111 -0.4393 9 H 4.4209 0.3076 0.0208 H 1 UNL111111111 0.1855 10 H 3.7201 -1.0749 0.8788 H 1 UNL111111111 0.1862 11 H 3.7341 -1.0441 -0.8943 H 1 UNL111111111 0.1863 12 H -0.4603 1.0246 0.8786 H 1 UNL111111111 0.1673 13 H -0.4638 1.0175 -0.8919 H 1 UNL111111111 0.1671 14 H -1.9604 -1.0589 -0.8789 H 1 UNL111111111 0.1488 15 H -1.9579 -1.0498 0.8899 H 1 UNL111111111 0.1488 16 H -2.9716 1.2783 0.8771 H 1 UNL111111111 0.1379 17 H -2.9741 1.2676 -0.8897 H 1 UNL111111111 0.1379 18 H -4.4872 -0.7657 0.8841 H 1 UNL111111111 0.1439 19 H -5.2200 0.5856 0.0133 H 1 UNL111111111 0.1440 20 H -4.4996 -0.7554 -0.8832 H 1 UNL111111111 0.1438 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 1 9 1 9 1 10 1 10 1 11 1 11 5 12 1 12 5 13 1 13 6 14 1 14 6 15 1 15 7 16 1 16 7 17 1 17 8 18 1 18 8 19 1 19 8 20 1