@MOLECULE 2-methyl-5-{3-[4-(methylsulfinyl)phenyl]-1-benzofuran-5-yl}-1,3,4-oxadiazole 38 41 0 0 0 SMALL GASTEIGER @ATOM 1 O 5.3627 2.2123 -1.1884 O.2 1 UNL1111111111 -0.7959 2 S 5.4523 1.3507 0.0155 S.O 1 UNL1111111111 1.1179 3 C 4.9671 2.3997 1.4287 C.3 1 UNL1111111111 -0.6671 4 C 3.9757 0.3196 -0.0103 C.ar 1 UNL1111111111 -0.2820 5 C 2.9778 0.5604 -0.9487 C.ar 1 UNL1111111111 -0.0943 6 C 3.8642 -0.7370 0.8874 C.ar 1 UNL1111111111 -0.1220 7 C 2.7339 -1.5504 0.8583 C.ar 1 UNL1111111111 -0.1710 8 C 1.7154 -1.3015 -0.0680 C.ar 1 UNL1111111111 0.0323 9 C 1.8428 -0.2467 -0.9771 C.ar 1 UNL1111111111 -0.1566 10 C 0.5238 -2.1247 -0.0704 C.ar 1 UNL1111111111 -0.1165 11 C -0.8413 -1.6258 -0.0601 C.ar 1 UNL1111111111 -0.0918 12 C -1.6637 -2.7811 -0.0438 C.ar 1 UNL1111111111 0.1694 13 O -0.8910 -3.9234 -0.0515 O.2 1 UNL1111111111 -0.1939 14 C 0.4300 -3.4873 -0.0643 C.ar 1 UNL1111111111 0.0179 15 C -3.0509 -2.7428 -0.0186 C.ar 1 UNL1111111111 -0.2063 16 C -1.4336 -0.3710 -0.0485 C.ar 1 UNL1111111111 -0.0450 17 C -2.8315 -0.3129 -0.0237 C.ar 1 UNL1111111111 -0.0906 18 C -3.6259 -1.4787 -0.0079 C.ar 1 UNL1111111111 -0.0780 19 C -3.4660 0.9804 -0.0157 C.ar 1 UNL1111111111 0.2283 20 O -4.8517 1.0275 0.1290 O.2 1 UNL1111111111 -0.2832 21 C -5.1567 2.3857 0.1005 C.ar 1 UNL1111111111 0.2520 22 C -6.5633 2.7513 0.2415 C.3 1 UNL1111111111 -0.4375 23 N -4.0384 3.0866 -0.0502 N.ar 1 UNL1111111111 -0.2262 24 N -2.9939 2.2216 -0.1222 N.ar 1 UNL1111111111 -0.2124 25 H 4.0229 2.9270 1.2555 H 1 UNL1111111111 0.1792 26 H 4.8639 1.8088 2.3400 H 1 UNL1111111111 0.1669 27 H 5.7296 3.1672 1.5969 H 1 UNL1111111111 0.1771 28 H 3.0744 1.3837 -1.6681 H 1 UNL1111111111 0.1829 29 H 4.6436 -0.9455 1.6202 H 1 UNL1111111111 0.1474 30 H 2.6360 -2.3723 1.5638 H 1 UNL1111111111 0.1529 31 H 1.0549 -0.0583 -1.7071 H 1 UNL1111111111 0.1697 32 H 1.1264 -4.2957 -0.0766 H 1 UNL1111111111 0.1781 33 H -3.6489 -3.6490 -0.0078 H 1 UNL1111111111 0.1778 34 H -0.8315 0.5423 -0.0561 H 1 UNL1111111111 0.1902 35 H -4.7139 -1.3829 0.0127 H 1 UNL1111111111 0.1687 36 H -6.9184 2.6122 1.2795 H 1 UNL1111111111 0.1849 37 H -6.7311 3.8139 -0.0196 H 1 UNL1111111111 0.1932 38 H -7.2181 2.1443 -0.4088 H 1 UNL1111111111 0.1835 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 25 1 5 3 26 1 6 3 27 1 7 4 5 ar 8 4 6 ar 9 5 9 ar 10 5 28 1 11 6 7 ar 12 6 29 1 13 7 8 ar 14 7 30 1 15 8 9 ar 16 8 10 1 17 9 31 1 18 10 11 ar 19 10 14 ar 20 11 12 ar 21 11 16 ar 22 12 13 ar 23 12 15 ar 24 13 14 ar 25 14 32 1 26 15 18 ar 27 15 33 1 28 16 17 ar 29 16 34 1 30 17 18 ar 31 17 19 1 32 18 35 1 33 19 20 ar 34 19 24 ar 35 20 21 ar 36 21 22 1 37 21 23 ar 38 22 36 1 39 22 37 1 40 22 38 1 41 23 24 ar