@MOLECULE robinetinidol 35 37 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.9610 0.3747 0.5070 O.3 1 UNL1111111111 -0.3351 2 O 0.3652 -2.8740 -0.3854 O.3 1 UNL1111111111 -0.5594 3 O -5.2804 2.2413 0.3816 O.3 1 UNL1111111111 -0.4673 4 O 3.0531 2.7703 -0.8537 O.3 1 UNL1111111111 -0.4189 5 O 4.7721 -1.3007 0.6886 O.3 1 UNL1111111111 -0.4875 6 O 5.1355 1.2292 -0.2889 O.3 1 UNL1111111111 -0.4048 7 C -0.1032 -0.7716 0.5134 C.3 1 UNL1111111111 0.0753 8 C -0.4795 -1.7600 -0.6126 C.3 1 UNL1111111111 0.1188 9 C -1.9406 -2.1994 -0.4605 C.3 1 UNL1111111111 -0.3176 10 C -2.8176 -1.0181 -0.2329 C.ar 1 UNL1111111111 -0.2004 11 C 1.2826 -0.2275 0.3070 C.ar 1 UNL1111111111 0.0380 12 C -2.2760 0.1787 0.2493 C.ar 1 UNL1111111111 0.3024 13 C -4.1900 -1.0775 -0.4876 C.ar 1 UNL1111111111 -0.0408 14 C 2.3640 -1.0524 0.6154 C.ar 1 UNL1111111111 -0.2913 15 C 1.4836 1.0587 -0.1897 C.ar 1 UNL1111111111 -0.3004 16 C -3.0623 1.3151 0.4744 C.ar 1 UNL1111111111 -0.4043 17 C -5.0063 0.0248 -0.2752 C.ar 1 UNL1111111111 -0.3047 18 C -4.4234 1.2065 0.2017 C.ar 1 UNL1111111111 0.3419 19 C 2.7852 1.5296 -0.3765 C.ar 1 UNL1111111111 0.2339 20 C 3.6544 -0.5690 0.4154 C.ar 1 UNL1111111111 0.1916 21 C 3.8949 0.7205 -0.0793 C.ar 1 UNL1111111111 0.0935 22 H -0.2184 -1.2482 1.5158 H 1 UNL1111111111 0.1614 23 H -0.2693 -1.3304 -1.6149 H 1 UNL1111111111 0.1372 24 H -2.0259 -2.9115 0.3916 H 1 UNL1111111111 0.1715 25 H -2.2631 -2.7714 -1.3528 H 1 UNL1111111111 0.1537 26 H -4.6264 -2.0051 -0.8604 H 1 UNL1111111111 0.1519 27 H 2.1983 -2.0618 0.9858 H 1 UNL1111111111 0.1812 28 H 0.6347 1.6964 -0.4277 H 1 UNL1111111111 0.1807 29 H -2.6137 2.2269 0.8481 H 1 UNL1111111111 0.1827 30 H 0.3241 -3.4964 -1.1365 H 1 UNL1111111111 0.3226 31 H -6.0747 -0.0096 -0.4701 H 1 UNL1111111111 0.1794 32 H -4.8268 3.0495 0.7255 H 1 UNL1111111111 0.3298 33 H 2.2160 3.2757 -1.0189 H 1 UNL1111111111 0.3172 34 H 4.5408 -2.2281 0.9412 H 1 UNL1111111111 0.3400 35 H 5.8235 0.5494 -0.0509 H 1 UNL1111111111 0.3277 @BOND 1 1 7 1 2 1 12 1 3 2 8 1 4 2 30 1 5 3 18 1 6 3 32 1 7 4 19 1 8 4 33 1 9 5 20 1 10 5 34 1 11 6 21 1 12 6 35 1 13 7 8 1 14 7 11 1 15 7 22 1 16 8 9 1 17 8 23 1 18 9 10 1 19 9 24 1 20 9 25 1 21 10 12 ar 22 10 13 ar 23 11 14 ar 24 11 15 ar 25 12 16 ar 26 13 17 ar 27 13 26 1 28 14 20 ar 29 14 27 1 30 15 19 ar 31 15 28 1 32 16 18 ar 33 16 29 1 34 17 18 ar 35 17 31 1 36 19 21 ar 37 20 21 ar