@MOLECULE 16-hydroxy-11,12-dimethoxy-3a-methyl-1,2,3a,4-tetrahydrochromeno[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isoquinoline-8,14,15,17-tetrone 60 66 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 7.7465 0.9822 -0.4528 O.3 1 UNL1 -0.4387 2 O 3.7863 2.5142 0.7399 O.2 1 UNL1 -0.5845 3 O 1.6136 1.0311 0.6767 O.3 1 UNL1 -0.4218 4 O -3.5854 -1.7621 -0.1408 O.2 1 UNL1 -0.1759 5 O -0.0344 0.0327 2.3013 O.2 1 UNL1 -0.3150 6 O -2.1146 -3.9832 0.2904 O.2 1 UNL1 -0.3527 7 O -2.0896 1.8583 1.1010 O.2 1 UNL1 -0.4129 8 O -7.0052 2.5396 -0.3851 O.3 1 UNL1 -0.3179 9 O -7.7259 -0.0568 -1.2229 O.3 1 UNL1 -0.2855 10 N 5.5846 1.7622 -0.3919 N.am 1 UNL1 -0.5274 11 C 6.4315 0.6630 -0.8905 C.3 1 UNL1 0.4772 12 C 6.0843 -0.6975 -0.2549 C.3 1 UNL1 -0.3721 13 C 6.4171 2.9364 -0.0886 C.3 1 UNL1 -0.1002 14 C 4.6094 -0.9043 -0.1487 C.ar 1 UNL1 0.1760 15 C 7.8508 2.3674 -0.1287 C.3 1 UNL1 -0.0492 16 C 3.7955 0.2156 0.1630 C.ar 1 UNL1 -0.4118 17 C 4.3718 1.5607 0.2318 C.2 1 UNL1 0.6380 18 C 6.4125 0.6199 -2.4183 C.3 1 UNL1 -0.4960 19 C 4.0490 -2.1448 -0.3141 C.ar 1 UNL1 -0.3207 20 C 2.4381 0.0322 0.4046 C.ar 1 UNL1 0.4319 21 C 1.8303 -1.2685 0.3003 C.ar 1 UNL1 -0.1469 22 C 2.6505 -2.3399 -0.1341 C.ar 1 UNL1 0.1485 23 C 0.4695 -1.5063 0.5685 C.ar 1 UNL1 0.0176 24 C -0.1039 -2.7198 0.2252 C.ar 1 UNL1 -0.2058 25 C 2.0567 -3.6057 -0.3827 C.ar 1 UNL1 -0.2176 26 C 0.7028 -3.7834 -0.2376 C.ar 1 UNL1 -0.0420 27 C -0.4011 -0.5176 1.3016 C.2 1 UNL1 0.4688 28 C -1.7790 -0.4682 0.7762 C.ar 1 UNL1 -0.3654 29 C -1.5646 -2.9155 0.2921 C.2 1 UNL1 0.4326 30 C -2.3321 -1.6153 0.3301 C.ar 1 UNL1 0.1685 31 C -2.5358 0.7901 0.7645 C.ar 1 UNL1 0.5124 32 C -3.9123 0.6216 0.2632 C.ar 1 UNL1 -0.2562 33 C -4.3654 -0.6207 -0.1646 C.ar 1 UNL1 0.2280 34 C -4.7888 1.7143 0.2014 C.ar 1 UNL1 -0.1301 35 C -5.6526 -0.8265 -0.6611 C.ar 1 UNL1 -0.3090 36 C -6.0740 1.5469 -0.2813 C.ar 1 UNL1 0.0633 37 C -6.5156 0.2681 -0.7232 C.ar 1 UNL1 0.2471 38 C -6.6245 3.8195 0.1046 C.3 1 UNL1 -0.2010 39 C -8.7008 0.9687 -1.3779 C.3 1 UNL1 -0.1948 40 H 2.1251 1.9155 0.8292 H 1 UNL1 0.3973 41 H 6.5374 -0.7527 0.7650 H 1 UNL1 0.1952 42 H 6.5835 -1.5071 -0.8252 H 1 UNL1 0.1783 43 H 6.1475 3.3799 0.8941 H 1 UNL1 0.1688 44 H 6.2490 3.7201 -0.8575 H 1 UNL1 0.1549 45 H 8.4805 2.8300 -0.9044 H 1 UNL1 0.1349 46 H 8.3630 2.3911 0.8465 H 1 UNL1 0.1440 47 H 6.5860 1.6138 -2.8496 H 1 UNL1 0.1670 48 H 5.4452 0.2626 -2.7926 H 1 UNL1 0.1692 49 H 7.1993 -0.0427 -2.7980 H 1 UNL1 0.1645 50 H 4.6601 -3.0023 -0.5822 H 1 UNL1 0.1694 51 H 2.6929 -4.4282 -0.7049 H 1 UNL1 0.1624 52 H 0.2305 -4.7435 -0.4648 H 1 UNL1 0.1705 53 H -4.4213 2.6866 0.5426 H 1 UNL1 0.1897 54 H -5.9806 -1.8117 -0.9912 H 1 UNL1 0.2019 55 H -7.5360 4.4086 -0.0613 H 1 UNL1 0.1491 56 H -5.7937 4.2298 -0.4788 H 1 UNL1 0.1398 57 H -6.3856 3.7781 1.1726 H 1 UNL1 0.1409 58 H -9.5413 0.4152 -1.8187 H 1 UNL1 0.1509 59 H -8.3470 1.7457 -2.0639 H 1 UNL1 0.1459 60 H -8.9810 1.3895 -0.4063 H 1 UNL1 0.1466 @BOND 1 47 18 1 2 49 18 1 3 48 18 1 4 18 11 1 5 59 39 1 6 58 39 1 7 39 9 1 8 39 60 1 9 9 37 1 10 54 35 1 11 45 15 1 12 11 1 1 13 11 10 1 14 11 12 1 15 44 13 1 16 42 12 1 17 37 35 ar 18 37 36 ar 19 51 25 1 20 35 33 ar 21 50 19 1 22 56 38 1 23 52 26 1 24 1 15 1 25 10 13 1 26 10 17 am 27 8 36 1 28 8 38 1 29 25 26 ar 30 25 22 ar 31 19 14 ar 32 19 22 ar 33 36 34 ar 34 12 14 1 35 12 41 1 36 26 24 ar 37 33 4 ar 38 33 32 ar 39 14 16 ar 40 4 30 ar 41 22 21 ar 42 15 13 1 43 15 46 1 44 13 43 1 45 55 38 1 46 38 57 1 47 16 17 1 48 16 20 ar 49 34 32 ar 50 34 53 1 51 24 29 1 52 24 23 ar 53 17 2 2 54 32 31 ar 55 6 29 2 56 29 30 1 57 21 20 ar 58 21 23 ar 59 30 28 ar 60 20 3 1 61 23 27 1 62 3 40 1 63 31 28 ar 64 31 7 2 65 28 27 1 66 27 5 2