@MOLECULE 2-methoxy-5-[(1e)-1-propen-1-yl]benzenesulfonic acid 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.4973 1.4125 0.1105 S.O2 1 UNL1111111111 2.4291 2 O 2.2173 -1.4249 0.1128 O.3 1 UNL1111111111 -0.2856 3 O 2.1459 1.3521 -1.4179 O.3 1 UNL1111111111 -0.8338 4 O 0.6934 2.6171 0.0898 O.2 1 UNL1111111111 -0.9394 5 O 2.5675 1.2705 1.0561 O.2 1 UNL1111111111 -0.8563 6 C 0.4280 0.0360 0.0597 C.ar 1 UNL1111111111 -0.5048 7 C -1.8659 -0.7681 -0.1144 C.ar 1 UNL1111111111 -0.0922 8 C 0.8746 -1.2944 0.0478 C.ar 1 UNL1111111111 0.3237 9 C -0.9459 0.2771 -0.0123 C.ar 1 UNL1111111111 -0.0164 10 C -0.0355 -2.3585 -0.0297 C.ar 1 UNL1111111111 -0.3229 11 C -1.3930 -2.0902 -0.1285 C.ar 1 UNL1111111111 -0.0388 12 C -3.2994 -0.5209 -0.2189 C.2 1 UNL1111111111 -0.2019 13 C -3.9107 0.5817 0.2337 C.2 1 UNL1111111111 -0.0994 14 C 2.7828 -2.7284 0.0977 C.3 1 UNL1111111111 -0.1974 15 C -5.3784 0.7882 0.1173 C.3 1 UNL1111111111 -0.4540 16 H -1.3241 1.3118 -0.0041 H 1 UNL1111111111 0.1843 17 H 0.3142 -3.3851 -0.0199 H 1 UNL1111111111 0.1646 18 H -2.1033 -2.9150 -0.2109 H 1 UNL1111111111 0.1488 19 H -3.8728 -1.3193 -0.6975 H 1 UNL1111111111 0.1502 20 H -3.3681 1.3943 0.7183 H 1 UNL1111111111 0.1502 21 H 2.4950 -3.2828 0.9960 H 1 UNL1111111111 0.1354 22 H 3.8607 -2.4980 0.1135 H 1 UNL1111111111 0.1654 23 H 2.5160 -3.2562 -0.8218 H 1 UNL1111111111 0.1334 24 H 2.0329 2.1581 -1.9518 H 1 UNL1111111111 0.3852 25 H -5.8338 0.9748 1.1013 H 1 UNL1111111111 0.1592 26 H -5.6091 1.6640 -0.5121 H 1 UNL1111111111 0.1609 27 H -5.8988 -0.0722 -0.3229 H 1 UNL1111111111 0.1525 @BOND 1 1 3 1 2 1 4 2 3 1 5 2 4 1 6 1 5 2 8 1 6 2 14 1 7 3 24 1 8 6 8 ar 9 6 9 ar 10 7 9 ar 11 7 11 ar 12 7 12 1 13 8 10 ar 14 9 16 1 15 10 11 ar 16 10 17 1 17 11 18 1 18 12 13 2 19 12 19 1 20 13 15 1 21 13 20 1 22 14 21 1 23 14 22 1 24 14 23 1 25 15 25 1 26 15 26 1 27 15 27 1