@MOLECULE (1r,4r,13r,14r,16r)-13-hydroxy-16-methoxy-8-(4-methoxyphenyl)-4,14,19,19-tetramethyl-5,9,18-trioxapentacyclo[14.2.1.0~1,14~.0~4,13~.0~6,11~]nonadeca-6(11),7-diene-10,15,17-trione 67 72 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -2.9574 0.5774 -0.8410 C.3 1 UNL1 -0.1594 2 C -4.5592 -1.0091 0.1776 C.3 1 UNL1 -0.0042 3 C -3.5416 0.9690 0.5554 C.3 1 UNL1 0.2226 4 C -1.4030 0.6221 -0.8157 C.3 1 UNL1 0.2644 5 C -0.9063 1.9814 -0.2245 C.3 1 UNL1 0.2788 6 C 5.6502 -0.9468 -0.5987 C.ar 1 UNL1 -0.0055 7 C 5.5650 0.8983 0.9771 C.ar 1 UNL1 -0.0348 8 C 6.9457 0.8928 1.0722 C.ar 1 UNL1 -0.2754 9 C 7.0398 -0.9633 -0.5220 C.ar 1 UNL1 -0.3234 10 C -3.4766 1.4463 -1.9882 C.3 1 UNL1 -0.4415 11 C -5.9892 1.0490 -0.4928 C.3 1 UNL1 -0.4564 12 C -5.6838 0.5515 1.9065 C.3 1 UNL1 -0.4683 13 C -0.9823 3.1458 -1.2108 C.3 1 UNL1 -0.4765 14 C -5.2806 -3.2214 -0.1531 C.3 1 UNL1 -0.2171 15 C 9.8482 -0.8331 -0.2216 C.3 1 UNL1 -0.2032 16 H -1.0999 -0.2525 -2.5654 H 1 UNL1 0.3383 17 C 4.9113 -0.0160 0.1374 C.ar 1 UNL1 -0.1694 18 C 7.6745 -0.0416 0.3129 C.ar 1 UNL1 0.2854 19 O -3.3671 -1.5922 -1.8932 O.2 1 UNL1 -0.3873 20 O -3.3096 -2.1387 2.0431 O.2 1 UNL1 -0.3868 21 O 1.3577 -2.6816 -0.4053 O.2 1 UNL1 -0.4332 22 C -0.7575 -0.5785 -0.1021 C.3 1 UNL1 -0.2929 23 C -3.1061 2.3204 1.0495 C.3 1 UNL1 -0.2862 24 C -1.5725 2.3216 1.1230 C.3 1 UNL1 -0.3141 25 O -0.9371 0.6246 -2.1484 O.3 1 UNL1 -0.5542 26 O -5.6295 -1.8509 0.0339 O.3 1 UNL1 -0.3096 27 O 9.0131 0.0684 0.4941 O.3 1 UNL1 -0.3133 28 C 1.5767 -1.5169 -0.2250 C.ar 1 UNL1 0.6274 29 C 3.4533 -0.0091 0.0452 C.ar 1 UNL1 0.3790 30 O 0.5098 1.9885 0.0903 O.3 1 UNL1 -0.3557 31 O 2.9780 -1.2495 -0.1280 O.2 1 UNL1 -0.3897 32 C 2.6451 1.0866 0.1090 C.ar 1 UNL1 -0.4514 33 C 0.7131 -0.3896 -0.1029 C.ar 1 UNL1 -0.4003 34 C 1.2351 0.8706 0.0169 C.ar 1 UNL1 0.4190 35 C -3.5853 -0.8128 -1.0176 C.2 1 UNL1 0.4102 36 C -3.5883 -1.2125 1.3510 C.2 1 UNL1 0.5328 37 C -5.0384 0.4641 0.5289 C.3 1 UNL1 0.0532 38 O -2.9748 0.0214 1.5155 O.3 1 UNL1 -0.4350 39 H 3.0268 2.0952 0.2076 H 1 UNL1 0.1959 40 H -1.1066 -0.6763 0.9508 H 1 UNL1 0.1878 41 H -1.0417 -1.5310 -0.6005 H 1 UNL1 0.1753 42 H -3.4803 3.1277 0.3925 H 1 UNL1 0.1548 43 H -3.5307 2.5260 2.0542 H 1 UNL1 0.1655 44 H -1.2299 1.5933 1.8918 H 1 UNL1 0.1812 45 H -1.2056 3.3042 1.4750 H 1 UNL1 0.1554 46 H -3.8840 2.3998 -1.6381 H 1 UNL1 0.1492 47 H -2.6804 1.6882 -2.7153 H 1 UNL1 0.1901 48 H -4.2527 0.9485 -2.5844 H 1 UNL1 0.1554 49 H 5.1309 -1.6682 -1.2377 H 1 UNL1 0.1726 50 H 4.9818 1.6108 1.5647 H 1 UNL1 0.1608 51 H -5.8458 0.6395 -1.5006 H 1 UNL1 0.1617 52 H -7.0338 0.8085 -0.2385 H 1 UNL1 0.1648 53 H -5.9128 2.1407 -0.5460 H 1 UNL1 0.1524 54 H -6.0862 1.5541 2.0958 H 1 UNL1 0.1541 55 H -6.5183 -0.1600 1.9919 H 1 UNL1 0.1677 56 H -4.9922 0.3300 2.7314 H 1 UNL1 0.1691 57 H -1.9957 3.5408 -1.3076 H 1 UNL1 0.1515 58 H -0.3315 3.9703 -0.8856 H 1 UNL1 0.1607 59 H -0.6284 2.8474 -2.2100 H 1 UNL1 0.1825 60 H 7.4741 1.5883 1.7190 H 1 UNL1 0.1744 61 H 7.6043 -1.6860 -1.1006 H 1 UNL1 0.1680 62 H -4.7379 -3.6093 0.7168 H 1 UNL1 0.1517 63 H -6.2638 -3.6992 -0.2389 H 1 UNL1 0.1472 64 H -4.7046 -3.3575 -1.0754 H 1 UNL1 0.1532 65 H 9.6466 -1.8685 0.0708 H 1 UNL1 0.1389 66 H 9.7413 -0.6905 -1.3014 H 1 UNL1 0.1368 67 H 10.8522 -0.5304 0.1076 H 1 UNL1 0.1550 @BOND 1 47 10 1 2 48 10 1 3 16 25 1 4 59 13 1 5 25 4 1 6 10 46 1 7 10 1 1 8 19 35 2 9 51 11 1 10 57 13 1 11 66 15 1 12 49 6 1 13 13 58 1 14 13 5 1 15 61 9 1 16 64 14 1 17 35 1 1 18 35 2 1 19 1 4 1 20 1 3 1 21 4 5 1 22 4 22 1 23 41 22 1 24 6 9 ar 25 6 17 ar 26 53 11 1 27 9 18 ar 28 11 52 1 29 11 37 1 30 21 28 2 31 63 14 1 32 28 31 ar 33 28 33 ar 34 5 30 1 35 5 24 1 36 15 65 1 37 15 67 1 38 15 27 1 39 14 26 1 40 14 62 1 41 31 29 ar 42 33 22 1 43 33 34 ar 44 22 40 1 45 34 30 1 46 34 32 ar 47 26 2 1 48 29 32 ar 49 29 17 1 50 32 39 1 51 17 7 ar 52 2 37 1 53 2 36 1 54 18 27 1 55 18 8 ar 56 42 23 1 57 37 3 1 58 37 12 1 59 3 23 1 60 3 38 1 61 7 8 ar 62 7 50 1 63 23 24 1 64 23 43 1 65 8 60 1 66 24 45 1 67 24 44 1 68 36 38 1 69 36 20 2 70 12 55 1 71 12 54 1 72 12 56 1