@MOLECULE 3-[(2s)-1,1-dioxido-4-oxotetrahydro-2-thiophenyl]benzaldehyde 26 27 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.3095 -0.3780 -0.7527 O.2 1 UNL111 -0.4169 2 C -4.1793 -0.2903 -1.1695 C.2 1 UNL111 0.3310 3 C -3.0170 -0.2097 -0.2570 C.ar 1 UNL111 -0.1754 4 C -1.7220 -0.3143 -0.7649 C.ar 1 UNL111 -0.1206 5 C -3.2266 -0.0298 1.1102 C.ar 1 UNL111 -0.0729 6 C -2.1325 0.0577 1.9684 C.ar 1 UNL111 -0.1712 7 C -0.8383 -0.0462 1.4653 C.ar 1 UNL111 -0.0961 8 C -0.6243 -0.2428 0.0955 C.ar 1 UNL111 -0.0313 9 C 0.7493 -0.3897 -0.4697 C.3 1 UNL111 -0.4250 10 C 1.5137 -1.5688 0.1293 C.3 1 UNL111 -0.3912 11 C 2.9806 -1.2365 0.3132 C.2 1 UNL111 0.4918 12 O 3.7999 -2.0760 0.5691 O.2 1 UNL111 -0.4245 13 C 3.3092 0.2172 0.1635 C.3 1 UNL111 -0.7205 14 S 1.7832 1.0926 -0.2028 S.O2 1 UNL111 2.1985 15 O 1.9191 1.7736 -1.4657 O.2 1 UNL111 -0.8767 16 O 1.3704 1.7888 0.9894 O.2 1 UNL111 -0.8758 17 H -1.5705 -0.4513 -1.8356 H 1 UNL111 0.1530 18 H -4.2475 0.0446 1.4955 H 1 UNL111 0.1745 19 H -2.2886 0.2163 3.0348 H 1 UNL111 0.1597 20 H 0.0079 0.0520 2.1500 H 1 UNL111 0.1704 21 H 0.6813 -0.5317 -1.5821 H 1 UNL111 0.1869 22 H 1.0905 -1.8854 1.1097 H 1 UNL111 0.1918 23 H 1.4082 -2.4785 -0.5003 H 1 UNL111 0.1874 24 H 3.7965 0.6055 1.0835 H 1 UNL111 0.2200 25 H 4.0761 0.3733 -0.6240 H 1 UNL111 0.2186 26 H -3.9829 -0.2665 -2.2498 H 1 UNL111 0.1144 @BOND 1 1 2 2 2 2 3 1 3 2 26 1 4 3 4 ar 5 3 5 ar 6 4 8 ar 7 4 17 1 8 5 6 ar 9 5 18 1 10 6 7 ar 11 6 19 1 12 7 8 ar 13 7 20 1 14 8 9 1 15 9 10 1 16 9 14 1 17 9 21 1 18 10 11 1 19 10 22 1 20 10 23 1 21 11 12 2 22 11 13 1 23 13 14 1 24 13 24 1 25 13 25 1 26 14 15 2 27 14 16 2