@MOLECULE 3,4,7,8,17,18-hexahydroxy-10,15-dimethyl-3a,3b,4,5-tetrahydro-2h-dibenzo[c,mn]naphtho[2,3-g]xanthene-1,6,13(3h)-trione 64 70 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.5745 0.4802 -1.0065 O.3 1 UNL1 -0.2973 2 O 0.0166 4.6704 -1.3979 O.3 1 UNL1 -0.5697 3 O 1.7234 4.3496 1.1260 O.3 1 UNL1 -0.5914 4 O -0.2528 1.0721 2.3183 O.2 1 UNL1 -0.4002 5 O -4.2565 2.6999 -1.0875 O.2 1 UNL1 -0.5694 6 O -4.5701 0.3860 -0.1974 O.2 1 UNL1 -0.5422 7 O 5.0921 1.0378 0.7964 O.2 1 UNL1 -0.5484 8 O 4.5163 -1.2746 -0.0814 O.3 1 UNL1 -0.5442 9 O -4.5840 -2.2764 0.1266 O.3 1 UNL1 -0.4534 10 O 3.7371 -3.7296 -0.6706 O.3 1 UNL1 -0.4609 11 C -0.2273 2.6703 -0.0230 C.3 1 UNL1 -0.2097 12 C 1.2939 2.4233 -0.1414 C.3 1 UNL1 -0.1437 13 C -1.0226 1.3669 0.0372 C.3 1 UNL1 0.2036 14 C -0.7173 3.4820 -1.2417 C.3 1 UNL1 0.1793 15 C 1.6568 0.9869 -0.3353 C.ar 1 UNL1 0.0230 16 C 2.0299 2.9644 1.1020 C.3 1 UNL1 0.1721 17 C -2.4823 1.4868 -0.2096 C.2 1 UNL1 -0.5007 18 C -2.1981 3.8591 -1.0823 C.3 1 UNL1 -0.4274 19 C 0.7272 0.0978 -0.7952 C.ar 1 UNL1 0.0495 20 C -0.8451 0.6183 1.3793 C.2 1 UNL1 0.4138 21 C 3.5475 2.8121 0.9406 C.3 1 UNL1 -0.4380 22 C 2.9708 0.5265 -0.0386 C.ar 1 UNL1 -0.3985 23 C -3.0517 2.6635 -0.8133 C.2 1 UNL1 0.5648 24 C 3.9470 1.4152 0.5685 C.2 1 UNL1 0.5515 25 C -3.2765 0.3944 0.0835 C.2 1 UNL1 0.5177 26 C 1.0080 -1.2874 -1.0400 C.ar 1 UNL1 0.1330 27 C -1.5133 -0.7128 1.3776 C.ar 1 UNL1 0.0034 28 C -2.7650 -0.8035 0.7247 C.ar 1 UNL1 -0.3060 29 C 3.2812 -0.8085 -0.2877 C.ar 1 UNL1 0.4517 30 C 2.3179 -1.7555 -0.7577 C.ar 1 UNL1 -0.2945 31 C -0.9110 -1.8087 1.9481 C.ar 1 UNL1 -0.2224 32 C 0.0142 -2.1607 -1.5010 C.ar 1 UNL1 -0.2941 33 C -3.3894 -2.0553 0.6982 C.ar 1 UNL1 0.3853 34 C 2.5541 -3.1453 -0.9340 C.ar 1 UNL1 0.3797 35 C -1.5383 -3.0746 1.8623 C.ar 1 UNL1 0.1626 36 C 0.2850 -3.5132 -1.6631 C.ar 1 UNL1 0.1711 37 C -2.7740 -3.1964 1.2522 C.ar 1 UNL1 -0.3074 38 C 1.5618 -4.0137 -1.3730 C.ar 1 UNL1 -0.3492 39 C -0.8378 -4.2655 2.4109 C.3 1 UNL1 -0.4695 40 C -0.7772 -4.4361 -2.1501 C.3 1 UNL1 -0.4671 41 H 0.4403 4.9505 -0.5554 H 1 UNL1 0.3430 42 H 1.9214 4.7401 1.9965 H 1 UNL1 0.3300 43 H -4.8541 1.3175 -0.6640 H 1 UNL1 0.4320 44 H 5.1363 -0.5415 0.3275 H 1 UNL1 0.4176 45 H -4.9930 -1.4270 -0.2118 H 1 UNL1 0.3648 46 H 4.4189 -3.0684 -0.3634 H 1 UNL1 0.3619 47 H -0.4330 3.2577 0.9095 H 1 UNL1 0.1821 48 H 1.6769 2.9912 -1.0419 H 1 UNL1 0.1970 49 H -0.5402 2.9335 -2.1980 H 1 UNL1 0.1575 50 H 1.6568 2.4886 2.0373 H 1 UNL1 0.1481 51 H -2.5472 4.3986 -1.9914 H 1 UNL1 0.1969 52 H -2.3253 4.6040 -0.2669 H 1 UNL1 0.1895 53 H 4.0780 3.1281 1.8627 H 1 UNL1 0.1830 54 H 3.9153 3.5173 0.1582 H 1 UNL1 0.2002 55 H 0.0512 -1.7145 2.4517 H 1 UNL1 0.1807 56 H -0.9759 -1.7637 -1.7243 H 1 UNL1 0.1843 57 H -3.2882 -4.1530 1.1846 H 1 UNL1 0.1843 58 H 1.7900 -5.0694 -1.4929 H 1 UNL1 0.1827 59 H -0.0225 -4.5802 1.7354 H 1 UNL1 0.1789 60 H -1.4991 -5.1332 2.5385 H 1 UNL1 0.1618 61 H -0.3782 -4.0648 3.3904 H 1 UNL1 0.1692 62 H -1.7836 -4.1143 -1.8437 H 1 UNL1 0.1660 63 H -0.6424 -5.4645 -1.7887 H 1 UNL1 0.1593 64 H -0.7762 -4.4787 -3.2520 H 1 UNL1 0.1725 @BOND 1 64 40 1 2 49 14 1 3 40 62 1 4 40 63 1 5 40 36 1 6 51 18 1 7 56 32 1 8 36 32 ar 9 36 38 ar 10 32 26 ar 11 58 38 1 12 2 14 1 13 2 41 1 14 38 34 ar 15 14 18 1 16 14 11 1 17 5 23 2 18 18 23 1 19 18 52 1 20 48 12 1 21 26 19 ar 22 26 30 ar 23 1 19 1 24 1 13 1 25 34 30 ar 26 34 10 1 27 23 17 1 28 19 15 ar 29 30 29 ar 30 10 46 1 31 43 6 1 32 15 12 1 33 15 22 ar 34 29 8 1 35 29 22 ar 36 45 9 1 37 17 13 1 38 17 25 2 39 6 25 1 40 12 11 1 41 12 16 1 42 8 44 1 43 22 24 1 44 11 13 1 45 11 47 1 46 13 20 1 47 25 28 1 48 9 33 1 49 54 21 1 50 24 7 2 51 24 21 1 52 33 28 ar 53 33 37 ar 54 28 27 ar 55 21 16 1 56 21 53 1 57 16 3 1 58 16 50 1 59 3 42 1 60 57 37 1 61 37 35 ar 62 27 20 1 63 27 31 ar 64 20 4 2 65 59 39 1 66 35 31 ar 67 35 39 1 68 31 55 1 69 39 60 1 70 39 61 1