@MOLECULE 13,16-dihydroxy-1-(hydroxymethyl)-12-methoxy-1,3a-dimethyl-3a,4-dihydrochromeno[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isoquinoline-2,8,14,15,17(1h)-pentone 63 69 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -6.8980 0.0998 -0.2399 O.3 1 UNL1 -0.4408 2 O -5.1120 -1.8629 -2.2423 O.3 1 UNL1 -0.5313 3 O -8.1593 -1.7007 -0.6249 O.2 1 UNL1 -0.3987 4 O -2.9539 -2.0095 0.2033 O.2 1 UNL1 -0.5949 5 O -0.7260 -0.7089 0.4771 O.3 1 UNL1 -0.4171 6 O 4.7833 1.7309 -0.3531 O.2 1 UNL1 -0.1765 7 O 1.0839 0.0144 1.9414 O.2 1 UNL1 -0.3065 8 O 3.4528 4.0314 0.0961 O.2 1 UNL1 -0.3449 9 O 3.0334 -1.8076 0.7691 O.2 1 UNL1 -0.4668 10 O 5.3602 -3.0145 0.3773 O.3 1 UNL1 -0.4660 11 O 8.0498 -2.6833 -0.5812 O.3 1 UNL1 -0.2937 12 N -4.8935 -0.8636 0.3809 N.am 1 UNL1 -0.5573 13 C -5.6257 0.4279 0.3203 C.3 1 UNL1 0.4822 14 C -5.7923 -1.9843 0.0573 C.3 1 UNL1 0.1239 15 C -4.9568 1.4049 -0.6581 C.3 1 UNL1 -0.3716 16 C -3.4991 1.5170 -0.3525 C.ar 1 UNL1 0.1724 17 C -7.0984 -1.2590 -0.3088 C.2 1 UNL1 0.5741 18 C -3.5261 -0.9191 0.2108 C.2 1 UNL1 0.6496 19 C -5.8539 0.9922 1.7149 C.3 1 UNL1 -0.4923 20 C -2.8095 0.3465 0.0626 C.ar 1 UNL1 -0.4322 21 C -5.3365 -2.7761 -1.1949 C.3 1 UNL1 -0.0304 22 C -5.9851 -2.9047 1.2523 C.3 1 UNL1 -0.4613 23 C -2.8120 2.6873 -0.5271 C.ar 1 UNL1 -0.3157 24 C -1.4298 0.3894 0.2468 C.ar 1 UNL1 0.4381 25 C -0.6867 1.6204 0.1285 C.ar 1 UNL1 -0.1438 26 C -1.4066 2.7581 -0.3062 C.ar 1 UNL1 0.1449 27 C 0.6999 1.7325 0.3545 C.ar 1 UNL1 0.0153 28 C -0.7078 3.9689 -0.5500 C.ar 1 UNL1 -0.2124 29 C 1.3643 2.9037 0.0221 C.ar 1 UNL1 -0.2007 30 C 0.6551 4.0340 -0.4093 C.ar 1 UNL1 -0.0431 31 C 1.5069 0.6435 1.0181 C.2 1 UNL1 0.4659 32 C 2.8358 3.0009 0.0788 C.2 1 UNL1 0.4287 33 C 2.8870 0.5361 0.5050 C.ar 1 UNL1 -0.3794 34 C 3.5200 1.6566 0.0912 C.ar 1 UNL1 0.1900 35 C 3.5695 -0.7543 0.4857 C.ar 1 UNL1 0.5424 36 C 4.9710 -0.6742 0.0512 C.ar 1 UNL1 -0.3635 37 C 5.5155 0.5549 -0.3459 C.ar 1 UNL1 0.2159 38 C 5.7990 -1.8056 0.0066 C.ar 1 UNL1 0.2914 39 C 6.8275 0.7029 -0.7683 C.ar 1 UNL1 -0.2415 40 C 7.1355 -1.6822 -0.4415 C.ar 1 UNL1 0.0952 41 C 7.6393 -0.4358 -0.8059 C.ar 1 UNL1 -0.1177 42 C 7.6689 -3.9884 -0.1610 C.3 1 UNL1 -0.1926 43 H -5.4779 2.3852 -0.6270 H 1 UNL1 0.1873 44 H -5.1020 1.0458 -1.7071 H 1 UNL1 0.2016 45 H -6.2355 0.2286 2.4065 H 1 UNL1 0.1725 46 H -6.5923 1.8053 1.6913 H 1 UNL1 0.1746 47 H -4.9223 1.3868 2.1441 H 1 UNL1 0.1763 48 H -6.1557 -3.4214 -1.5713 H 1 UNL1 0.1638 49 H -4.4377 -3.3862 -0.9900 H 1 UNL1 0.1599 50 H -6.3284 -2.3609 2.1403 H 1 UNL1 0.1643 51 H -5.0335 -3.3902 1.5263 H 1 UNL1 0.1829 52 H -6.7205 -3.6925 1.0404 H 1 UNL1 0.1686 53 H -3.3244 3.5873 -0.8553 H 1 UNL1 0.1716 54 H -4.1844 -1.5463 -2.2313 H 1 UNL1 0.3189 55 H -1.2732 4.8443 -0.8643 H 1 UNL1 0.1648 56 H 1.2052 4.9560 -0.6218 H 1 UNL1 0.1742 57 H -1.3170 -1.5573 0.4644 H 1 UNL1 0.3951 58 H 7.2156 1.6753 -1.0648 H 1 UNL1 0.1852 59 H 8.6804 -0.3564 -1.1300 H 1 UNL1 0.1803 60 H 4.3728 -2.9664 0.6443 H 1 UNL1 0.3838 61 H 8.5857 -4.5608 -0.3543 H 1 UNL1 0.1443 62 H 6.8392 -4.3683 -0.7673 H 1 UNL1 0.1467 63 H 7.4192 -4.0028 0.9048 H 1 UNL1 0.1457 @BOND 1 2 54 1 2 2 21 1 3 44 15 1 4 48 21 1 5 21 49 1 6 21 14 1 7 59 41 1 8 58 39 1 9 55 28 1 10 53 23 1 11 41 39 ar 12 41 40 ar 13 39 37 ar 14 62 42 1 15 15 43 1 16 15 16 1 17 15 13 1 18 3 17 2 19 56 30 1 20 11 40 1 21 11 42 1 22 28 30 ar 23 28 26 ar 24 23 16 ar 25 23 26 ar 26 40 38 ar 27 30 29 ar 28 61 42 1 29 6 37 ar 30 6 34 ar 31 16 20 ar 32 37 36 ar 33 17 1 1 34 17 14 1 35 26 25 ar 36 1 13 1 37 42 63 1 38 38 36 ar 39 38 10 1 40 29 32 1 41 29 27 ar 42 36 35 ar 43 14 12 1 44 14 22 1 45 20 18 1 46 20 24 ar 47 32 34 1 48 32 8 2 49 34 33 ar 50 25 24 ar 51 25 27 ar 52 4 18 2 53 18 12 am 54 24 5 1 55 13 12 1 56 13 19 1 57 27 31 1 58 10 60 1 59 57 5 1 60 35 33 ar 61 35 9 2 62 33 31 1 63 31 7 2 64 52 22 1 65 22 51 1 66 22 50 1 67 46 19 1 68 19 47 1 69 19 45 1