@MOLECULE (2r,3r)-2-(3,4-dihydroxyphenyl)-3,6,7-trihydroxy-2,3-dihydro-4h-chromen-4-one 34 36 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.2950 0.6903 0.2493 O.3 1 UNL1111111111 -0.3259 2 O -0.3520 -1.3939 -1.6935 O.3 1 UNL1111111111 -0.4851 3 O 1.6953 -3.1260 -0.0416 O.2 1 UNL1111111111 -0.4123 4 O 5.7371 0.1588 0.0297 O.3 1 UNL1111111111 -0.4878 5 O 4.5438 2.5740 0.2844 O.3 1 UNL1111111111 -0.4295 6 O -5.3037 -0.6776 1.3551 O.3 1 UNL1111111111 -0.4473 7 O -5.8181 1.2008 -0.5475 O.3 1 UNL1111111111 -0.4890 8 C -0.5463 -0.4403 0.5427 C.3 1 UNL1111111111 0.0476 9 C -0.1671 -1.6506 -0.3287 C.3 1 UNL1111111111 -0.0012 10 C -1.9352 0.0364 0.2372 C.ar 1 UNL1111111111 -0.0298 11 C 1.3140 -1.9859 -0.0957 C.2 1 UNL1111111111 0.4352 12 C 2.1833 -0.8175 0.0363 C.ar 1 UNL1111111111 -0.3231 13 C 1.6281 0.4548 0.2019 C.ar 1 UNL1111111111 0.2998 14 C -3.0029 -0.5277 0.9439 C.ar 1 UNL1111111111 -0.2112 15 C -2.1516 1.0078 -0.7366 C.ar 1 UNL1111111111 -0.1234 16 C 3.5788 -0.9591 -0.0199 C.ar 1 UNL1111111111 -0.0979 17 C 2.4181 1.6100 0.2842 C.ar 1 UNL1111111111 -0.3357 18 C 4.3709 0.1668 0.0625 C.ar 1 UNL1111111111 0.0504 19 C 3.7959 1.4571 0.2084 C.ar 1 UNL1111111111 0.3131 20 C -4.2951 -0.1082 0.6513 C.ar 1 UNL1111111111 0.2109 21 C -3.4497 1.4362 -1.0292 C.ar 1 UNL1111111111 -0.2325 22 C -4.5120 0.8737 -0.3380 C.ar 1 UNL1111111111 0.1460 23 H -0.4075 -0.6646 1.6272 H 1 UNL1111111111 0.1576 24 H -0.8273 -2.5295 -0.1401 H 1 UNL1111111111 0.1850 25 H -2.8473 -1.2846 1.7110 H 1 UNL1111111111 0.1798 26 H -1.3113 1.4446 -1.2767 H 1 UNL1111111111 0.1669 27 H 4.0080 -1.9578 -0.1314 H 1 UNL1111111111 0.1817 28 H 1.9669 2.5920 0.4098 H 1 UNL1111111111 0.2030 29 H 0.0521 -0.5284 -1.9371 H 1 UNL1111111111 0.3163 30 H -3.6168 2.1936 -1.7898 H 1 UNL1111111111 0.1631 31 H 6.0872 -0.7407 -0.1819 H 1 UNL1111111111 0.3416 32 H 5.5186 2.3613 0.2248 H 1 UNL1111111111 0.3501 33 H -6.1846 -0.3081 1.0761 H 1 UNL1111111111 0.3431 34 H -5.9122 1.9348 -1.2016 H 1 UNL1111111111 0.3403 @BOND 1 1 8 1 2 1 13 1 3 2 9 1 4 2 29 1 5 3 11 2 6 4 18 1 7 4 31 1 8 5 19 1 9 5 32 1 10 6 20 1 11 6 33 1 12 7 22 1 13 7 34 1 14 8 9 1 15 8 10 1 16 8 23 1 17 9 11 1 18 9 24 1 19 10 14 ar 20 10 15 ar 21 11 12 1 22 12 13 ar 23 12 16 ar 24 13 17 ar 25 14 20 ar 26 14 25 1 27 15 21 ar 28 15 26 1 29 16 18 ar 30 16 27 1 31 17 19 ar 32 17 28 1 33 18 19 ar 34 20 22 ar 35 21 22 ar 36 21 30 1