@MOLECULE 3,7,8-trihydroxy-3-methyl-10-oxo-4,10-dihydro-1h,3h-pyrano[4,3-b]chromene-9-carboxylic acid 34 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.8914 -0.9568 0.5105 O.3 1 UNL1 -0.4584 2 O -0.7977 1.6815 0.1474 O.2 1 UNL1 -0.2635 3 O -4.1764 0.2017 -1.4704 O.3 1 UNL1 -0.5955 4 O 0.1080 -2.3092 0.0358 O.2 1 UNL1 -0.4326 5 O 4.4934 0.2504 -0.1256 O.3 1 UNL1 -0.4156 6 O 3.7894 2.8643 -0.0465 O.3 1 UNL1 -0.4720 7 O 2.9221 -2.3092 1.1079 O.3 1 UNL1 -0.5298 8 O 2.8687 -2.4619 -1.1246 O.2 1 UNL1 -0.4635 9 C -4.1818 0.2865 -0.0685 C.3 1 UNL1 0.5350 10 C -3.1028 1.3495 0.2439 C.3 1 UNL1 -0.3756 11 C -1.7657 0.7170 0.1703 C.ar 1 UNL1 0.3039 12 C -1.5235 -0.6061 0.1359 C.ar 1 UNL1 -0.3386 13 C -2.6627 -1.5686 0.1492 C.3 1 UNL1 0.0330 14 C -0.1626 -1.1313 0.0666 C.ar 1 UNL1 0.5016 15 C 0.8768 -0.0791 0.0392 C.ar 1 UNL1 -0.2239 16 C -5.5729 0.6286 0.4534 C.3 1 UNL1 -0.5109 17 C 0.5040 1.2610 0.0841 C.ar 1 UNL1 0.2476 18 C 2.2404 -0.4007 -0.0357 C.ar 1 UNL1 -0.0602 19 C 1.4366 2.3124 0.0692 C.ar 1 UNL1 -0.3215 20 C 3.1899 0.6102 -0.0507 C.ar 1 UNL1 0.1760 21 C 2.7735 1.9681 -0.0021 C.ar 1 UNL1 0.2244 22 C 2.6794 -1.8156 -0.1318 C.2 1 UNL1 0.6729 23 H -3.2765 1.7982 1.2450 H 1 UNL1 0.1854 24 H -3.1843 2.1895 -0.4855 H 1 UNL1 0.1985 25 H -2.7962 -2.0552 -0.8379 H 1 UNL1 0.1451 26 H -2.5478 -2.3414 0.9416 H 1 UNL1 0.1648 27 H -5.9652 1.5210 -0.0463 H 1 UNL1 0.1678 28 H -6.2763 -0.1964 0.2746 H 1 UNL1 0.1711 29 H -5.5673 0.8056 1.5357 H 1 UNL1 0.1696 30 H -4.7786 -0.4905 -1.8036 H 1 UNL1 0.3378 31 H 1.0986 3.3434 0.1094 H 1 UNL1 0.1867 32 H 5.0859 1.0520 -0.1310 H 1 UNL1 0.3421 33 H 3.4698 3.7979 0.0456 H 1 UNL1 0.3467 34 H 3.1685 -3.2683 1.0970 H 1 UNL1 0.3516 @BOND 1 30 3 1 2 3 9 1 3 8 22 2 4 25 13 1 5 24 10 1 6 22 18 1 7 22 7 1 8 32 5 1 9 5 20 1 10 9 10 1 11 9 16 1 12 9 1 1 13 20 18 ar 14 20 21 ar 15 6 21 1 16 6 33 1 17 27 16 1 18 18 15 ar 19 21 19 ar 20 4 14 2 21 15 14 ar 22 15 17 ar 23 14 12 ar 24 19 17 ar 25 19 31 1 26 17 2 ar 27 12 13 1 28 12 11 ar 29 2 11 ar 30 13 1 1 31 13 26 1 32 11 10 1 33 10 23 1 34 28 16 1 35 16 29 1 36 34 7 1