@MOLECULE 5-acetyl-6-hydroxy-2-isopropenylbenzofuran 28 29 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.8940 -1.0280 -0.0008 O.2 1 UNL111111111 -0.2167 2 O 2.7360 -2.0650 -0.0022 O.3 1 UNL111111111 -0.4668 3 O 4.3516 -0.0691 0.0040 O.2 1 UNL111111111 -0.5306 4 C -0.3333 0.6631 -0.0001 C.ar 1 UNL111111111 -0.1823 5 C -0.5523 -0.7498 -0.0012 C.ar 1 UNL111111111 0.2603 6 C -1.6548 1.2530 0.0006 C.ar 1 UNL111111111 -0.2285 7 C 0.9572 1.1500 0.0001 C.ar 1 UNL111111111 0.0190 8 C -2.5485 0.2235 0.0002 C.ar 1 UNL111111111 0.1337 9 C 2.0300 0.2459 -0.0004 C.ar 1 UNL111111111 -0.3868 10 C 0.4602 -1.6813 -0.0021 C.ar 1 UNL111111111 -0.3594 11 C 1.7641 -1.1510 -0.0016 C.ar 1 UNL111111111 0.4200 12 C -3.9919 0.1256 0.0009 C.2 1 UNL111111111 0.0190 13 C 3.4163 0.7177 0.0010 C.2 1 UNL111111111 0.5485 14 C -4.7138 1.4330 -0.0034 C.3 1 UNL111111111 -0.4462 15 C 3.7064 2.1876 -0.0005 C.3 1 UNL111111111 -0.5393 16 C -4.6255 -1.0532 0.0053 C.2 1 UNL111111111 -0.2986 17 H -1.8546 2.3037 0.0014 H 1 UNL111111111 0.1737 18 H 1.1333 2.2262 0.0010 H 1 UNL111111111 0.1571 19 H 0.2921 -2.7530 -0.0029 H 1 UNL111111111 0.2030 20 H -4.4618 2.0331 0.8838 H 1 UNL111111111 0.1616 21 H -4.4556 2.0312 -0.8900 H 1 UNL111111111 0.1616 22 H -5.8054 1.3075 -0.0071 H 1 UNL111111111 0.1596 23 H 3.2986 2.6835 0.8908 H 1 UNL111111111 0.1769 24 H 3.2930 2.6835 -0.8892 H 1 UNL111111111 0.1767 25 H 4.7938 2.3731 -0.0038 H 1 UNL111111111 0.1855 26 H -5.6996 -1.1526 0.0059 H 1 UNL111111111 0.1525 27 H -4.1159 -2.0068 0.0087 H 1 UNL111111111 0.1620 28 H 3.6619 -1.6256 -0.0005 H 1 UNL111111111 0.3842 @BOND 1 1 5 ar 2 1 8 ar 3 2 11 1 4 2 28 1 5 3 13 2 6 4 5 ar 7 4 6 ar 8 4 7 ar 9 5 10 ar 10 6 8 ar 11 6 17 1 12 7 9 ar 13 7 18 1 14 8 12 1 15 9 11 ar 16 9 13 1 17 10 11 ar 18 10 19 1 19 12 14 1 20 12 16 2 21 13 15 1 22 14 20 1 23 14 21 1 24 14 22 1 25 15 23 1 26 15 24 1 27 15 25 1 28 16 26 1 29 16 27 1