@MOLECULE 3-methyl-4-methylthiophenol 20 20 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.2984 0.0154 0.4208 S.3 1 UNL1111111111 0.0225 2 O 3.5402 0.4035 -0.1827 O.3 1 UNL1111111111 -0.4651 3 C 0.1953 -1.0865 -0.0101 C.ar 1 UNL1111111111 0.1546 4 C -0.5384 0.0851 0.2154 C.ar 1 UNL1111111111 -0.2231 5 C 1.5859 -1.0022 -0.1418 C.ar 1 UNL1111111111 -0.3652 6 C 0.1034 1.3239 0.3244 C.ar 1 UNL1111111111 -0.0472 7 C 2.1994 0.2451 -0.0494 C.ar 1 UNL1111111111 0.3240 8 C -0.4414 -2.4317 -0.1140 C.3 1 UNL1111111111 -0.4606 9 C 1.4803 1.4216 0.1861 C.ar 1 UNL1111111111 -0.2810 10 C -2.8917 1.0607 -0.9533 C.3 1 UNL1111111111 -0.4884 11 H 2.1743 -1.8945 -0.3124 H 1 UNL1111111111 0.1666 12 H -0.4692 2.2349 0.5236 H 1 UNL1111111111 0.1596 13 H -0.9655 -2.7069 0.8156 H 1 UNL1111111111 0.1741 14 H -1.1842 -2.4697 -0.9266 H 1 UNL1111111111 0.1733 15 H 0.2845 -3.2320 -0.3132 H 1 UNL1111111111 0.1548 16 H 1.9972 2.3746 0.2582 H 1 UNL1111111111 0.1813 17 H -2.4841 0.7356 -1.9177 H 1 UNL1111111111 0.1630 18 H -2.6331 2.1144 -0.8053 H 1 UNL1111111111 0.1602 19 H -3.9839 0.9760 -0.9959 H 1 UNL1111111111 0.1689 20 H 4.0041 -0.4546 -0.3452 H 1 UNL1111111111 0.3278 @BOND 1 1 4 1 2 1 10 1 3 2 7 1 4 2 20 1 5 3 4 ar 6 3 5 ar 7 3 8 1 8 4 6 ar 9 5 7 ar 10 5 11 1 11 6 9 ar 12 6 12 1 13 7 9 ar 14 8 13 1 15 8 14 1 16 8 15 1 17 9 16 1 18 10 17 1 19 10 18 1 20 10 19 1