@MOLECULE (13r,14s,27r)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.2~16,19~.1~3,10~.1~21,25~.0~4,8~.0~14,39~.0~31,35~]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dodecaene 13-oxide 84 91 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 4.3746 -3.3694 -1.4167 O.3 1 UNL1 -0.7442 2 O 1.2918 0.3567 -0.6503 O.3 1 UNL1 -0.2294 3 O 1.8011 3.2109 0.2389 O.3 1 UNL1 -0.3040 4 O 3.9610 3.9319 0.8640 O.3 1 UNL1 -0.3441 5 O 1.0058 0.9461 1.9800 O.3 1 UNL1 -0.2934 6 O -2.6386 -3.3409 0.0062 O.3 1 UNL1 -0.3300 7 O -5.0571 -2.9375 1.5713 O.3 1 UNL1 -0.3127 8 N 4.5766 -2.0881 -1.2505 N.4 1 UNL1 0.3510 9 N -4.2697 2.8954 -1.2535 N.3 1 UNL1 -0.4270 10 C 3.3239 -1.4455 -0.6357 C.3 1 UNL1 -0.0079 11 C 5.7526 -1.9032 -0.3084 C.3 1 UNL1 -0.2052 12 C 3.5887 -0.0168 -0.2562 C.ar 1 UNL1 -0.1723 13 C 6.0675 -0.4336 -0.0324 C.3 1 UNL1 -0.3017 14 C 4.8596 0.4458 0.0768 C.ar 1 UNL1 0.0633 15 C 2.8598 -2.2740 0.5866 C.3 1 UNL1 -0.2931 16 C 4.8607 -1.4564 -2.5930 C.3 1 UNL1 -0.3642 17 C 2.4815 0.8678 -0.2265 C.ar 1 UNL1 0.2117 18 C 5.0881 1.7782 0.4825 C.ar 1 UNL1 -0.2882 19 C 1.3973 -2.5720 0.4823 C.ar 1 UNL1 -0.0186 20 C 2.7036 2.1757 0.1488 C.ar 1 UNL1 -0.0119 21 C -3.0780 2.1498 -1.7490 C.3 1 UNL1 0.0677 22 C 3.9947 2.6087 0.5127 C.ar 1 UNL1 0.2010 23 C -2.0340 1.8262 -0.7066 C.ar 1 UNL1 -0.0855 24 C -2.2698 2.0179 0.6559 C.ar 1 UNL1 0.0662 25 C -4.0674 3.5785 0.0430 C.3 1 UNL1 -0.1010 26 C -3.5983 2.5460 1.0807 C.3 1 UNL1 -0.2952 27 C -3.6114 0.8276 -2.3813 C.3 1 UNL1 -0.2763 28 C 0.1649 1.0122 -0.1847 C.ar 1 UNL1 0.0858 29 C -0.8029 1.3142 -1.1303 C.ar 1 UNL1 -0.1488 30 C 0.9500 -3.4330 -0.5264 C.ar 1 UNL1 -0.1236 31 C 0.4889 -1.9886 1.3659 C.ar 1 UNL1 -0.1168 32 C -1.2869 1.7350 1.6077 C.ar 1 UNL1 -0.2930 33 C -0.0572 1.2424 1.1871 C.ar 1 UNL1 0.1972 34 C 2.5787 4.3344 0.7062 C.3 1 UNL1 0.1508 35 C -4.7375 3.8642 -2.2691 C.3 1 UNL1 -0.2818 36 C -3.9577 -0.1952 -1.3461 C.ar 1 UNL1 -0.0000 37 C -0.4088 -3.6741 -0.6908 C.ar 1 UNL1 -0.2095 38 C -0.8771 -2.2092 1.2120 C.ar 1 UNL1 -0.2335 39 C -1.2978 -3.0382 0.1758 C.ar 1 UNL1 0.1989 40 C -3.1069 -1.2743 -1.1246 C.ar 1 UNL1 -0.1925 41 C -5.1313 -0.0718 -0.5937 C.ar 1 UNL1 -0.1332 42 C -3.4324 -2.2232 -0.1570 C.ar 1 UNL1 0.0844 43 C -5.4574 -1.0148 0.3704 C.ar 1 UNL1 -0.2279 44 C -4.6042 -2.1062 0.5980 C.ar 1 UNL1 0.1738 45 C 0.8672 1.2292 3.3663 C.3 1 UNL1 -0.2069 46 C -4.3096 -4.1194 1.8269 C.3 1 UNL1 -0.1923 47 H 2.5308 -1.5007 -1.4339 H 1 UNL1 0.1848 48 H 6.6272 -2.4331 -0.7395 H 1 UNL1 0.1603 49 H 5.5133 -2.4465 0.6329 H 1 UNL1 0.1695 50 H 6.7313 -0.0303 -0.8303 H 1 UNL1 0.1607 51 H 6.6694 -0.3670 0.9015 H 1 UNL1 0.1649 52 H 3.1088 -1.7505 1.5277 H 1 UNL1 0.1497 53 H 3.4198 -3.2435 0.6155 H 1 UNL1 0.1950 54 H 5.7836 -1.8816 -3.0134 H 1 UNL1 0.1617 55 H 4.0476 -1.7179 -3.2914 H 1 UNL1 0.1735 56 H 4.9474 -0.3663 -2.5206 H 1 UNL1 0.1543 57 H 6.0775 2.1275 0.7525 H 1 UNL1 0.1776 58 H -2.5660 2.7376 -2.5618 H 1 UNL1 0.1218 59 H -5.0453 4.0094 0.3521 H 1 UNL1 0.1355 60 H -3.3416 4.4175 -0.0149 H 1 UNL1 0.1157 61 H -4.3304 1.7040 1.1310 H 1 UNL1 0.1864 62 H -3.5752 2.9951 2.0887 H 1 UNL1 0.1444 63 H -2.8507 0.4376 -3.0849 H 1 UNL1 0.1433 64 H -4.5058 1.0562 -2.9977 H 1 UNL1 0.1549 65 H -0.5972 1.1390 -2.1856 H 1 UNL1 0.1738 66 H 1.6825 -3.9043 -1.1895 H 1 UNL1 0.1783 67 H 0.8468 -1.3430 2.1665 H 1 UNL1 0.1573 68 H -1.4951 1.8987 2.6597 H 1 UNL1 0.1682 69 H 2.2013 4.6192 1.6974 H 1 UNL1 0.1380 70 H 2.5449 5.1120 -0.0689 H 1 UNL1 0.1416 71 H -4.0326 4.6826 -2.4776 H 1 UNL1 0.1184 72 H -5.6916 4.3026 -1.9321 H 1 UNL1 0.1446 73 H -4.9460 3.3308 -3.2113 H 1 UNL1 0.1459 74 H -0.7788 -4.3324 -1.4713 H 1 UNL1 0.1680 75 H -1.6013 -1.7356 1.8681 H 1 UNL1 0.1636 76 H -2.1811 -1.3828 -1.6889 H 1 UNL1 0.1742 77 H -5.7820 0.7887 -0.7645 H 1 UNL1 0.1723 78 H -6.3673 -0.9241 0.9585 H 1 UNL1 0.1671 79 H 0.0838 0.6090 3.8136 H 1 UNL1 0.1392 80 H 0.6810 2.2935 3.5349 H 1 UNL1 0.1324 81 H 1.8548 0.9475 3.7562 H 1 UNL1 0.1511 82 H -4.2467 -4.7434 0.9285 H 1 UNL1 0.1447 83 H -4.9108 -4.6109 2.6013 H 1 UNL1 0.1401 84 H -3.3108 -3.8753 2.2034 H 1 UNL1 0.1417 @BOND 1 55 16 1 2 73 35 1 3 63 27 1 4 54 16 1 5 64 27 1 6 16 56 1 7 16 8 1 8 58 21 1 9 71 35 1 10 27 21 1 11 27 36 1 12 35 72 1 13 35 9 1 14 65 29 1 15 21 9 1 16 21 23 1 17 76 40 1 18 74 37 1 19 47 10 1 20 1 8 1 21 36 40 ar 22 36 41 ar 23 9 25 1 24 8 10 1 25 8 11 1 26 66 30 1 27 29 23 ar 28 29 28 ar 29 40 42 ar 30 50 13 1 31 77 41 1 32 48 11 1 33 23 24 ar 34 37 30 ar 35 37 39 ar 36 2 17 1 37 2 28 1 38 10 12 1 39 10 15 1 40 41 43 ar 41 30 19 ar 42 11 13 1 43 11 49 1 44 12 17 ar 45 12 14 ar 46 17 20 ar 47 28 33 ar 48 42 6 1 49 42 44 ar 50 70 34 1 51 13 14 1 52 13 51 1 53 60 25 1 54 6 39 1 55 25 59 1 56 25 26 1 57 14 18 ar 58 20 3 1 59 20 22 ar 60 39 38 ar 61 3 34 1 62 43 44 ar 63 43 78 1 64 19 15 1 65 19 31 ar 66 18 22 ar 67 18 57 1 68 22 4 1 69 15 53 1 70 15 52 1 71 44 7 1 72 24 26 1 73 24 32 ar 74 34 4 1 75 34 69 1 76 82 46 1 77 26 61 1 78 26 62 1 79 33 32 ar 80 33 5 1 81 38 31 ar 82 38 75 1 83 31 67 1 84 7 46 1 85 32 68 1 86 46 84 1 87 46 83 1 88 5 45 1 89 45 80 1 90 45 81 1 91 45 79 1