@MOLECULE (1s,2s)-1,2-dihydrobenzo[b]naphtho[2,1-d]thiophene-1,2-diol 31 34 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.8976 1.6133 -0.1427 S.2 1 UNL1111 0.2122 2 O -1.8101 2.0248 0.3861 O.3 1 UNL1111 -0.5379 3 O -4.6313 1.4441 -0.0470 O.3 1 UNL1111 -0.5532 4 C -1.2878 -0.2108 -0.1265 C.ar 1 UNL1111 -0.0297 5 C -2.3110 0.8814 -0.2758 C.3 1 UNL1111 0.0978 6 C 0.0754 0.0460 -0.0821 C.ar 1 UNL1111 -0.0974 7 C -3.6673 0.5028 0.3699 C.3 1 UNL1111 0.0923 8 C -1.7218 -1.5465 -0.0863 C.ar 1 UNL1111 -0.0217 9 C 1.0092 -1.0105 0.0111 C.ar 1 UNL1111 -0.0330 10 C 2.3868 -0.5482 0.0299 C.ar 1 UNL1111 -0.0468 11 C -4.0722 -0.8989 0.0512 C.2 1 UNL1111 -0.2174 12 C -3.1498 -1.8496 -0.1420 C.2 1 UNL1111 -0.1397 13 C -0.7949 -2.5925 0.0079 C.ar 1 UNL1111 -0.1519 14 C 0.5693 -2.3308 0.0600 C.ar 1 UNL1111 -0.1320 15 C 2.4885 0.8544 -0.0588 C.ar 1 UNL1111 -0.1040 16 C 3.5430 -1.3221 0.1179 C.ar 1 UNL1111 -0.1230 17 C 3.7231 1.4893 -0.0632 C.ar 1 UNL1111 -0.1468 18 C 4.7821 -0.6883 0.1149 C.ar 1 UNL1111 -0.1606 19 C 4.8712 0.7047 0.0245 C.ar 1 UNL1111 -0.1303 20 H -2.4407 1.1405 -1.3559 H 1 UNL1111 0.1394 21 H -3.6338 0.6721 1.4786 H 1 UNL1111 0.1767 22 H -5.1421 -1.0870 0.0258 H 1 UNL1111 0.1658 23 H -3.4223 -2.8859 -0.3431 H 1 UNL1111 0.1585 24 H -1.1480 -3.6222 0.0431 H 1 UNL1111 0.1571 25 H 1.2863 -3.1461 0.1346 H 1 UNL1111 0.1594 26 H 3.4760 -2.4052 0.1882 H 1 UNL1111 0.1540 27 H -2.5187 2.7055 0.4518 H 1 UNL1111 0.3318 28 H 3.8027 2.5728 -0.1323 H 1 UNL1111 0.1615 29 H -4.8920 1.3033 -0.9788 H 1 UNL1111 0.3179 30 H 5.6928 -1.2804 0.1837 H 1 UNL1111 0.1517 31 H 5.8506 1.1803 0.0235 H 1 UNL1111 0.1495 @BOND 1 1 6 ar 2 1 15 ar 3 2 5 1 4 2 27 1 5 3 7 1 6 3 29 1 7 4 5 1 8 4 6 ar 9 4 8 ar 10 5 7 1 11 5 20 1 12 6 9 ar 13 7 11 1 14 7 21 1 15 8 12 1 16 8 13 ar 17 9 10 ar 18 9 14 ar 19 10 15 ar 20 10 16 ar 21 11 12 2 22 11 22 1 23 12 23 1 24 13 14 ar 25 13 24 1 26 14 25 1 27 15 17 ar 28 16 18 ar 29 16 26 1 30 17 19 ar 31 17 28 1 32 18 19 ar 33 18 30 1 34 19 31 1