@MOLECULE 3-(4-methylphenylthio)propane-1,2-dithiol 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.1217 1.4840 -1.0809 S.3 1 UNL111111111 0.0071 2 S 2.4101 -2.2405 -0.1085 S.3 1 UNL111111111 -0.2180 3 S 3.7064 0.9269 0.6660 S.3 1 UNL111111111 -0.2011 4 C 1.4591 -0.6683 0.1516 C.3 1 UNL111111111 -0.1197 5 C 1.2156 0.0069 -1.1885 C.3 1 UNL111111111 -0.3347 6 C 2.0974 0.2140 1.2143 C.3 1 UNL111111111 -0.3228 7 C -1.3895 0.7587 -0.5046 C.ar 1 UNL111111111 -0.1300 8 C -3.7517 -0.3593 0.4552 C.ar 1 UNL111111111 0.0658 9 C -1.9369 1.2230 0.6892 C.ar 1 UNL111111111 -0.1124 10 C -2.0235 -0.2477 -1.2322 C.ar 1 UNL111111111 -0.1158 11 C -3.1189 0.6636 1.1674 C.ar 1 UNL111111111 -0.1937 12 C -3.2021 -0.8085 -0.7491 C.ar 1 UNL111111111 -0.1927 13 C -5.0164 -0.9563 0.9690 C.3 1 UNL111111111 -0.4587 14 H 0.4780 -1.0425 0.5649 H 1 UNL111111111 0.1750 15 H 2.1496 0.3787 -1.6582 H 1 UNL111111111 0.1809 16 H 0.7744 -0.7031 -1.9154 H 1 UNL111111111 0.1709 17 H 2.2512 -0.3544 2.1527 H 1 UNL111111111 0.1667 18 H 1.4115 1.0486 1.4757 H 1 UNL111111111 0.1749 19 H -1.4535 2.0185 1.2589 H 1 UNL111111111 0.1609 20 H -1.6120 -0.6049 -2.1773 H 1 UNL111111111 0.1593 21 H -3.5477 1.0211 2.1000 H 1 UNL111111111 0.1561 22 H -3.6977 -1.5960 -1.3107 H 1 UNL111111111 0.1578 23 H 3.5917 -1.7672 -0.5285 H 1 UNL111111111 0.1757 24 H -5.1364 -2.0071 0.6725 H 1 UNL111111111 0.1598 25 H -5.0792 -0.9265 2.0662 H 1 UNL111111111 0.1588 26 H -5.8905 -0.4104 0.5797 H 1 UNL111111111 0.1653 27 H 4.0334 1.5983 1.7794 H 1 UNL111111111 0.1648 @BOND 1 1 5 1 2 1 7 1 3 2 4 1 4 2 23 1 5 3 6 1 6 3 27 1 7 4 5 1 8 4 6 1 9 4 14 1 10 5 15 1 11 5 16 1 12 6 17 1 13 6 18 1 14 7 9 ar 15 7 10 ar 16 8 11 ar 17 8 12 ar 18 8 13 1 19 9 11 ar 20 9 19 1 21 10 12 ar 22 10 20 1 23 11 21 1 24 12 22 1 25 13 24 1 26 13 25 1 27 13 26 1