@MOLECULE (2r)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2h-chromen-3-yl 3,4-dihydroxy-5-methoxybenzoate 52 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.8002 0.0114 1.4527 O.3 1 UNL1111111111 -0.3092 2 O 0.2181 -1.3433 -0.2142 O.3 1 UNL1111111111 -0.3596 3 O -4.1609 -2.7039 -2.2028 O.3 1 UNL1111111111 -0.4534 4 O -7.3438 -0.2352 0.2549 O.3 1 UNL1111111111 -0.4610 5 O 2.2595 3.0731 1.3989 O.3 1 UNL1111111111 -0.4920 6 O -1.4654 4.0590 -1.2564 O.3 1 UNL1111111111 -0.4175 7 O 0.9395 4.7113 -0.3472 O.3 1 UNL1111111111 -0.4056 8 O 0.6901 -2.2047 1.8193 O.2 1 UNL1111111111 -0.4771 9 O 4.6384 0.9103 -1.3156 O.3 1 UNL1111111111 -0.2500 10 O 5.7243 -3.2620 0.4236 O.3 1 UNL1111111111 -0.4826 11 O 6.3955 -0.9206 -0.7901 O.3 1 UNL1111111111 -0.4047 12 C -1.4044 -0.2058 1.2032 C.3 1 UNL1111111111 0.0742 13 C -1.1095 -1.1819 0.1047 C.2 1 UNL1111111111 0.0953 14 C -0.8002 1.1279 0.8451 C.ar 1 UNL1111111111 0.0433 15 C -3.4212 -1.3825 -0.4330 C.ar 1 UNL1111111111 -0.3053 16 C -3.7252 -0.4941 0.6137 C.ar 1 UNL1111111111 0.3722 17 C -2.0469 -1.7538 -0.6637 C.2 1 UNL1111111111 -0.1136 18 C -1.4687 1.9796 -0.0311 C.ar 1 UNL1111111111 -0.2962 19 C 0.4487 1.4651 1.3638 C.ar 1 UNL1111111111 -0.3150 20 C -4.4942 -1.8534 -1.2087 C.ar 1 UNL1111111111 0.4073 21 C -5.0327 -0.0747 0.8878 C.ar 1 UNL1111111111 -0.4794 22 C -6.0498 -0.5801 0.0769 C.ar 1 UNL1111111111 0.4209 23 C 1.0318 2.6671 0.9687 C.ar 1 UNL1111111111 0.1949 24 C -0.8730 3.1840 -0.4098 C.ar 1 UNL1111111111 0.2431 25 C -5.8139 -1.4682 -0.9796 C.ar 1 UNL1111111111 -0.4745 26 C 0.3951 3.5435 0.0799 C.ar 1 UNL1111111111 0.0854 27 C 1.0738 -1.7792 0.7638 C.2 1 UNL1111111111 0.5985 28 C 2.4641 -1.5954 0.3056 C.ar 1 UNL1111111111 -0.0719 29 C 2.8159 -0.4124 -0.3462 C.ar 1 UNL1111111111 -0.2443 30 C 3.3989 -2.5858 0.5894 C.ar 1 UNL1111111111 -0.2373 31 C 4.1452 -0.1923 -0.7040 C.ar 1 UNL1111111111 0.1798 32 C 4.7221 -2.3635 0.2114 C.ar 1 UNL1111111111 0.1653 33 C 5.1179 -1.1799 -0.4253 C.ar 1 UNL1111111111 0.1266 34 C 3.7135 1.9635 -1.5694 C.3 1 UNL1111111111 -0.2222 35 H -1.0602 -0.5872 2.2028 H 1 UNL1111111111 0.1876 36 H -1.8166 -2.4583 -1.4623 H 1 UNL1111111111 0.1883 37 H -2.4490 1.7070 -0.4163 H 1 UNL1111111111 0.1769 38 H 0.9591 0.8069 2.0617 H 1 UNL1111111111 0.1749 39 H -5.2281 0.6088 1.7037 H 1 UNL1111111111 0.1893 40 H -6.6396 -1.8302 -1.5788 H 1 UNL1111111111 0.1895 41 H -4.9515 -3.0099 -2.7175 H 1 UNL1111111111 0.3354 42 H 2.0456 0.3269 -0.5737 H 1 UNL1111111111 0.1925 43 H 3.1046 -3.5021 1.0960 H 1 UNL1111111111 0.1785 44 H 2.6175 2.4713 2.0986 H 1 UNL1111111111 0.3459 45 H -2.3572 3.7301 -1.5435 H 1 UNL1111111111 0.3208 46 H -7.4715 0.3795 1.0213 H 1 UNL1111111111 0.3349 47 H 1.7640 4.9109 0.1748 H 1 UNL1111111111 0.3272 48 H 5.4131 -4.0376 0.9524 H 1 UNL1111111111 0.3423 49 H 6.9849 -1.6914 -0.5584 H 1 UNL1111111111 0.3346 50 H 4.3621 2.7224 -2.0296 H 1 UNL1111111111 0.1572 51 H 3.2831 2.3490 -0.6381 H 1 UNL1111111111 0.1484 52 H 2.9366 1.6471 -2.2721 H 1 UNL1111111111 0.1412 @BOND 1 1 12 1 2 1 16 1 3 2 13 1 4 2 27 1 5 3 20 1 6 3 41 1 7 4 22 1 8 4 46 1 9 5 23 1 10 5 44 1 11 6 24 1 12 6 45 1 13 7 26 1 14 7 47 1 15 8 27 2 16 9 31 1 17 9 34 1 18 10 32 1 19 10 48 1 20 11 33 1 21 11 49 1 22 12 13 1 23 12 14 1 24 12 35 1 25 13 17 2 26 14 18 ar 27 14 19 ar 28 15 16 ar 29 15 17 1 30 15 20 ar 31 16 21 ar 32 17 36 1 33 18 24 ar 34 18 37 1 35 19 23 ar 36 19 38 1 37 20 25 ar 38 21 22 ar 39 21 39 1 40 22 25 ar 41 23 26 ar 42 24 26 ar 43 25 40 1 44 27 28 1 45 28 29 ar 46 28 30 ar 47 29 31 ar 48 29 42 1 49 30 32 ar 50 30 43 1 51 31 33 ar 52 32 33 ar 53 34 50 1 54 34 51 1 55 34 52 1