@MOLECULE 1,6,9,14-tetrahydroxy-3-(2-hydroxypropyl)-7-methoxy-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboxylic acid 59 63 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.8221 3.2424 1.5652 O.3 1 UNL1 -0.5323 2 O 2.3540 3.0260 0.4602 O.3 1 UNL1 -0.3259 3 O 0.0464 -1.8560 -0.4308 O.3 1 UNL1 -0.4349 4 O -1.8698 -1.7057 1.3566 O.3 1 UNL1 -0.4523 5 O 4.6573 1.7937 0.3501 O.2 1 UNL1 -0.4917 6 O 2.2609 -2.9398 -0.0866 O.2 1 UNL1 -0.3641 7 O -7.8653 -0.5026 -1.0888 O.3 1 UNL1 -0.5642 8 O -3.9677 -2.9919 0.2167 O.3 1 UNL1 -0.5478 9 O 6.9803 0.6909 -0.0306 O.3 1 UNL1 -0.4691 10 O -5.4154 -2.1538 1.6885 O.2 1 UNL1 -0.5120 11 C -0.3928 2.9821 0.2432 C.3 1 UNL1 0.1728 12 C 0.4256 1.7203 0.1840 C.ar 1 UNL1 -0.1275 13 C -1.6825 2.8149 -0.5774 C.3 1 UNL1 -0.3352 14 C -0.2161 0.4883 0.0825 C.ar 1 UNL1 -0.0061 15 C -2.4053 1.5634 -0.1933 C.ar 1 UNL1 0.1955 16 C -1.6651 0.4207 0.1761 C.ar 1 UNL1 -0.2655 17 C 1.8296 1.7925 0.2004 C.ar 1 UNL1 0.2290 18 C 0.5949 -0.6426 -0.1587 C.ar 1 UNL1 0.2119 19 C 2.6197 0.6469 0.0908 C.ar 1 UNL1 -0.1721 20 C 1.9863 -0.5938 -0.0878 C.ar 1 UNL1 -0.1417 21 C -3.7958 1.5548 -0.1966 C.ar 1 UNL1 -0.3211 22 C -2.3926 -0.6679 0.6902 C.ar 1 UNL1 0.3901 23 C -4.5045 0.4109 0.1810 C.ar 1 UNL1 0.1915 24 C -3.7978 -0.7156 0.6058 C.ar 1 UNL1 -0.3082 25 C -5.9932 0.4122 0.1137 C.3 1 UNL1 -0.3862 26 C 4.0953 0.7314 0.1377 C.2 1 UNL1 0.5169 27 C 2.7717 -1.8497 -0.1677 C.2 1 UNL1 0.4435 28 C 4.8737 -0.4807 -0.1188 C.ar 1 UNL1 -0.3269 29 C 4.2491 -1.7259 -0.2995 C.ar 1 UNL1 -0.0242 30 C -6.4785 -0.2390 -1.2018 C.3 1 UNL1 0.2024 31 C -4.4865 -1.9657 0.9459 C.2 1 UNL1 0.6888 32 C 6.2746 -0.4349 -0.1909 C.ar 1 UNL1 0.3750 33 C 4.9862 -2.8665 -0.5569 C.ar 1 UNL1 -0.1831 34 C -6.3660 0.7018 -2.3975 C.3 1 UNL1 -0.4724 35 C 2.9567 3.6606 -0.6681 C.3 1 UNL1 -0.1781 36 C 7.0409 -1.5951 -0.4445 C.ar 1 UNL1 -0.2524 37 C 6.3905 -2.7968 -0.6279 C.ar 1 UNL1 -0.0526 38 H -0.0517 3.2218 2.1743 H 1 UNL1 0.3262 39 H -0.8138 -1.7740 -0.9339 H 1 UNL1 0.3392 40 H -0.8928 -1.8549 1.2094 H 1 UNL1 0.3641 41 H -8.0406 -1.1560 -0.3840 H 1 UNL1 0.3195 42 H -4.3520 -3.8724 0.4531 H 1 UNL1 0.3523 43 H 6.3682 1.4758 0.1858 H 1 UNL1 0.3784 44 H 0.1853 3.8734 -0.1016 H 1 UNL1 0.1366 45 H -1.4447 2.8013 -1.6614 H 1 UNL1 0.1674 46 H -2.3233 3.7095 -0.4114 H 1 UNL1 0.1801 47 H -4.3426 2.4510 -0.4843 H 1 UNL1 0.1727 48 H -6.4093 1.4370 0.1964 H 1 UNL1 0.1750 49 H -6.4322 -0.1291 0.9833 H 1 UNL1 0.1912 50 H -5.9513 -1.2025 -1.3862 H 1 UNL1 0.1174 51 H 4.4819 -3.8259 -0.6925 H 1 UNL1 0.1811 52 H -7.0250 1.5715 -2.2771 H 1 UNL1 0.1623 53 H -6.6806 0.1966 -3.3195 H 1 UNL1 0.1584 54 H -5.3405 1.0585 -2.5328 H 1 UNL1 0.1511 55 H 3.6752 4.3479 -0.2002 H 1 UNL1 0.1601 56 H 2.1796 4.2032 -1.2127 H 1 UNL1 0.1187 57 H 3.4853 2.9654 -1.3246 H 1 UNL1 0.1405 58 H 8.1253 -1.5116 -0.4840 H 1 UNL1 0.1810 59 H 6.9600 -3.7073 -0.8230 H 1 UNL1 0.1568 @BOND 1 53 34 1 2 54 34 1 3 34 52 1 4 34 30 1 5 45 13 1 6 50 30 1 7 57 35 1 8 56 35 1 9 30 7 1 10 30 25 1 11 7 41 1 12 39 3 1 13 59 37 1 14 51 33 1 15 35 55 1 16 35 2 1 17 37 33 ar 18 37 36 ar 19 13 46 1 20 13 15 1 21 13 11 1 22 33 29 ar 23 47 21 1 24 58 36 1 25 36 32 ar 26 3 18 1 27 29 27 1 28 29 28 ar 29 21 15 ar 30 21 23 ar 31 15 16 ar 32 32 28 ar 33 32 9 1 34 27 20 1 35 27 6 2 36 18 20 ar 37 18 14 ar 38 28 26 1 39 44 11 1 40 20 19 ar 41 9 43 1 42 14 16 1 43 14 12 ar 44 19 26 1 45 19 17 ar 46 25 23 1 47 25 48 1 48 25 49 1 49 26 5 2 50 16 22 ar 51 23 24 ar 52 12 17 ar 53 12 11 1 54 17 2 1 55 8 42 1 56 8 31 1 57 11 1 1 58 24 22 ar 59 24 31 1 60 22 4 1 61 31 10 2 62 40 4 1 63 1 38 1