@MOLECULE [5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-yl]acetonitrile 31 33 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.7397 0.0269 0.3676 C.ar 1 UNL1111111111 -0.9230 2 C 2.5217 0.6865 0.4824 C.ar 1 UNL1111111111 0.8202 3 C 1.3821 -0.0711 0.2436 C.ar 1 UNL1111111111 -0.5934 4 C 1.4010 -1.4456 -0.1055 C.ar 1 UNL1111111111 1.0131 5 C 2.6215 -2.1024 -0.2203 C.ar 1 UNL1111111111 -1.1226 6 C 3.7630 -1.3388 0.0221 C.ar 1 UNL1111111111 1.3420 7 O 0.0816 0.3963 0.3060 O.2 1 UNL1111111111 -0.3966 8 C -0.7265 -0.6990 -0.0117 C.ar 1 UNL1111111111 0.6551 9 C 0.0177 -1.8217 -0.2636 C.ar 1 UNL1111111111 -0.8127 10 O 5.0139 -1.8652 -0.0560 O.3 1 UNL1111111111 -1.0487 11 C 2.4289 2.1385 0.8379 C.3 1 UNL1111111111 -0.7177 12 C 2.5486 2.9558 -0.3495 C.1 1 UNL1111111111 0.5406 13 N 2.6434 3.6099 -1.2982 N.1 1 UNL1111111111 -0.5185 14 C -2.1383 -0.4090 -0.0063 C.ar 1 UNL1111111111 -0.3447 15 C -3.0499 -1.4133 -0.3558 C.ar 1 UNL1111111111 0.0285 16 C -4.4164 -1.1567 -0.3554 C.ar 1 UNL1111111111 -0.3997 17 C -4.8504 0.1228 0.0003 C.ar 1 UNL1111111111 0.5311 18 C -3.9603 1.1474 0.3498 C.ar 1 UNL1111111111 -0.2603 19 C -2.6026 0.8705 0.3432 C.ar 1 UNL1111111111 0.0802 20 O -6.1612 0.4631 0.0329 O.3 1 UNL1111111111 -0.7033 21 H 4.6840 0.5436 0.5312 H 1 UNL1111111111 0.2924 22 H 2.6732 -3.1504 -0.4863 H 1 UNL1111111111 0.3168 23 H -0.3245 -2.7983 -0.5289 H 1 UNL1111111111 0.2065 24 H 5.0017 -2.8170 -0.3187 H 1 UNL1111111111 0.4891 25 H 3.2187 2.4124 1.5838 H 1 UNL1111111111 0.2875 26 H 1.4578 2.3512 1.3582 H 1 UNL1111111111 0.1970 27 H -2.6868 -2.4046 -0.6323 H 1 UNL1111111111 0.2091 28 H -5.1241 -1.9321 -0.6270 H 1 UNL1111111111 0.1786 29 H -4.3439 2.1301 0.6155 H 1 UNL1111111111 0.1851 30 H -1.8885 1.6532 0.6105 H 1 UNL1111111111 0.0966 31 H -6.7541 -0.2861 -0.2205 H 1 UNL1111111111 0.3718 @BOND 1 1 2 ar 2 1 6 ar 3 1 21 1 4 2 3 ar 5 2 11 1 6 3 4 ar 7 3 7 ar 8 4 5 ar 9 4 9 ar 10 5 6 ar 11 5 22 1 12 6 10 1 13 7 8 ar 14 8 9 ar 15 8 14 1 16 9 23 1 17 10 24 1 18 11 12 1 19 11 25 1 20 11 26 1 21 12 13 3 22 14 15 ar 23 14 19 ar 24 15 16 ar 25 15 27 1 26 16 17 ar 27 16 28 1 28 17 18 ar 29 17 20 1 30 18 19 ar 31 18 29 1 32 19 30 1 33 20 31 1