@MOLECULE 6-(alpha-d-glucopyranosyl)-8-methoxy[1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-5(6h)-one 54 59 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.3674 -0.3181 1.2736 C.3 1 UNL1 0.2676 2 C 3.7875 0.3002 1.1933 C.3 1 UNL1 0.0409 3 C 4.1325 0.7063 -0.2503 C.3 1 UNL1 0.0354 4 C 3.9136 -0.4810 -1.2073 C.3 1 UNL1 0.0744 5 C 2.5022 -1.0675 -1.0142 C.3 1 UNL1 0.0411 6 C -0.4827 -1.3403 0.8673 C.ar 1 UNL1 -0.1519 7 C -0.9484 3.3909 0.0179 C.ar 1 UNL1 -0.0592 8 C -3.6171 -3.2803 0.1499 C.ar 1 UNL1 -0.2948 9 C -4.5071 -2.2489 -0.1876 C.ar 1 UNL1 -0.0664 10 C -4.0911 -0.9320 -0.2036 C.ar 1 UNL1 -0.2112 11 C 2.3400 -2.4177 -1.7244 C.3 1 UNL1 -0.0129 12 C -1.6572 -5.2228 0.7348 C.3 1 UNL1 -0.1960 13 H 3.3687 2.1143 1.8292 H 1 UNL1 0.3571 14 H 5.7886 1.5607 0.4081 H 1 UNL1 0.3411 15 H 4.7425 0.5093 -2.6972 H 1 UNL1 0.3380 16 H 0.5082 -2.7442 -1.0433 H 1 UNL1 0.3233 17 C -2.3144 -2.9551 0.4825 C.ar 1 UNL1 0.2500 18 O 2.0406 2.7327 0.8691 O.2 1 UNL1 -0.5196 19 C -4.4331 3.5160 -0.8751 C.3 1 UNL1 0.1562 20 O 3.9748 1.3613 2.0735 O.3 1 UNL1 -0.5524 21 O 5.5154 0.9855 -0.3431 O.3 1 UNL1 -0.5653 22 O 3.9333 -0.0300 -2.5443 O.3 1 UNL1 -0.5495 23 O 0.9767 -2.7208 -1.9058 O.3 1 UNL1 -0.5411 24 O -1.3375 -3.8403 0.8126 O.3 1 UNL1 -0.3241 25 C 1.1271 1.9494 0.7608 C.ar 1 UNL1 0.6333 26 C -0.2808 2.2295 0.3676 C.ar 1 UNL1 -0.1717 27 C -0.0439 -0.0594 0.7960 C.ar 1 UNL1 0.1477 28 C -2.9531 1.9500 -0.2648 C.ar 1 UNL1 0.1825 29 C -2.2935 3.1972 -0.2875 C.ar 1 UNL1 0.0727 30 O -3.1751 4.1872 -0.6583 O.3 1 UNL1 -0.3285 31 O -4.2622 2.0989 -0.6167 O.3 1 UNL1 -0.3250 32 O 2.3115 -1.3876 0.3606 O.3 1 UNL1 -0.4486 33 N 1.2200 0.5570 1.0432 N.ar 1 UNL1 -0.5234 34 C -2.2954 0.7650 0.0775 C.ar 1 UNL1 -0.0512 35 C -2.7643 -0.5982 0.1293 C.ar 1 UNL1 0.0617 36 C -1.8502 -1.6106 0.5022 C.ar 1 UNL1 -0.0901 37 C -0.9533 0.9896 0.3934 C.ar 1 UNL1 -0.0245 38 H 2.2168 -0.8462 2.2581 H 1 UNL1 0.1678 39 H 0.1572 -2.1662 1.1818 H 1 UNL1 0.1899 40 H -5.1567 3.9021 -0.1440 H 1 UNL1 0.1432 41 H -4.7023 3.6303 -1.9343 H 1 UNL1 0.1442 42 H -0.4721 4.3685 -0.0172 H 1 UNL1 0.1915 43 H -3.9642 -4.3074 0.1405 H 1 UNL1 0.1640 44 H -5.5360 -2.5004 -0.4454 H 1 UNL1 0.1494 45 H -4.7874 -0.1410 -0.4795 H 1 UNL1 0.1711 46 H -0.7054 -5.6945 1.0167 H 1 UNL1 0.1544 47 H -2.4421 -5.4829 1.4514 H 1 UNL1 0.1352 48 H -1.9342 -5.5021 -0.2870 H 1 UNL1 0.1387 49 H 4.5219 -0.4606 1.5671 H 1 UNL1 0.1720 50 H 3.5806 1.6154 -0.5815 H 1 UNL1 0.1600 51 H 4.7139 -1.2437 -1.0814 H 1 UNL1 0.1456 52 H 1.7173 -0.3517 -1.3492 H 1 UNL1 0.1651 53 H 2.7312 -2.3658 -2.7619 H 1 UNL1 0.1655 54 H 2.8290 -3.2381 -1.1698 H 1 UNL1 0.1271 @BOND 1 53 11 1 2 15 22 1 3 22 4 1 4 41 19 1 5 23 11 1 6 23 16 1 7 11 54 1 8 11 5 1 9 52 5 1 10 4 51 1 11 4 5 1 12 4 3 1 13 5 32 1 14 19 30 1 15 19 31 1 16 19 40 1 17 30 29 1 18 31 28 1 19 50 3 1 20 45 10 1 21 44 9 1 22 21 3 1 23 21 14 1 24 29 28 ar 25 29 7 ar 26 48 12 1 27 28 34 ar 28 3 2 1 29 10 9 ar 30 10 35 ar 31 9 8 ar 32 42 7 1 33 7 26 ar 34 34 35 ar 35 34 37 ar 36 35 36 ar 37 43 8 1 38 8 17 ar 39 32 1 1 40 26 37 ar 41 26 25 ar 42 37 27 ar 43 17 36 ar 44 17 24 1 45 36 6 ar 46 12 24 1 47 12 46 1 48 12 47 1 49 25 18 2 50 25 33 ar 51 27 6 ar 52 27 33 ar 53 6 39 1 54 33 1 1 55 2 1 1 56 2 49 1 57 2 20 1 58 1 38 1 59 13 20 1