@MOLECULE (7r,12s,16r,24r,28r)-2,4,12,19,21-pentahydroxy-7,16,24,28-tetramethyl-12,13,28,29-tetrahydro-5h,7h,16h,24h-dibenzo[m,w][1,5,10,16,20]pentaoxacyclopentacosine-5,9,14,22,26(8h,11h,17h,25h)-pentone 85 87 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.2871 -2.7446 -1.0593 C.3 1 UNL1 0.2192 2 C -3.0066 2.6144 0.6849 C.3 1 UNL1 0.2160 3 C 5.1677 1.8592 -0.5404 C.3 1 UNL1 0.1879 4 C -3.0661 -2.9773 0.7505 C.3 1 UNL1 0.1984 5 C 1.1684 3.9327 0.0187 C.3 1 UNL1 0.1585 6 C 6.7178 -2.8998 0.3308 C.ar 1 UNL1 -0.4620 7 C -7.4722 -0.6763 0.0218 C.ar 1 UNL1 -0.4637 8 C 6.6344 -0.4693 0.6388 C.ar 1 UNL1 -0.3818 9 C -5.9924 -2.5018 -0.6689 C.ar 1 UNL1 -0.3723 10 C 0.7319 -1.4322 -1.5854 C.3 1 UNL1 -0.4999 11 C -2.8463 2.6779 2.1933 C.3 1 UNL1 -0.4978 12 C 5.5149 1.2741 -1.9051 C.3 1 UNL1 -0.4770 13 C -3.5911 -4.3904 0.9505 C.3 1 UNL1 -0.5038 14 H 3.8331 -3.9936 -0.4339 H 1 UNL1 0.3619 15 H -5.7719 1.8862 0.8275 H 1 UNL1 0.3655 16 H -9.1827 -2.3841 -0.5667 H 1 UNL1 0.3352 17 H 9.1212 -2.4634 0.7956 H 1 UNL1 0.3339 18 H 0.2118 2.2134 -0.2272 H 1 UNL1 0.3310 19 C -6.3319 0.0956 0.2777 C.ar 1 UNL1 0.4479 20 C 5.3355 -2.8764 0.1179 C.ar 1 UNL1 0.4401 21 C -7.2730 -1.9671 -0.4535 C.ar 1 UNL1 0.4095 22 C 7.3365 -1.6825 0.5997 C.ar 1 UNL1 0.4060 23 O 2.3543 -1.0373 0.7788 O.2 1 UNL1 -0.4947 24 O -2.7197 0.0013 0.6295 O.2 1 UNL1 -0.4941 25 O 3.9722 3.5507 1.2442 O.2 1 UNL1 -0.5259 26 O -1.3230 -4.0539 -1.1094 O.2 1 UNL1 -0.5363 27 O -2.3718 5.7822 -1.0707 O.2 1 UNL1 -0.4926 28 C 0.5576 -3.2492 0.1924 C.3 1 UNL1 -0.4265 29 C -3.4584 3.9469 0.0700 C.3 1 UNL1 -0.4047 30 C 2.5262 4.4362 -0.4906 C.3 1 UNL1 -0.3879 31 C 4.5389 0.8370 0.4206 C.3 1 UNL1 -0.3886 32 C -3.5301 -2.3494 -0.5770 C.3 1 UNL1 -0.3695 33 C 0.0534 4.8719 -0.4753 C.3 1 UNL1 -0.0752 34 O 4.7901 -4.0757 -0.1449 O.3 1 UNL1 -0.4652 35 O -6.6014 1.3252 0.7393 O.3 1 UNL1 -0.4672 36 O -8.2977 -2.7985 -0.7334 O.3 1 UNL1 -0.4563 37 O 8.6648 -1.5849 0.8226 O.3 1 UNL1 -0.4607 38 O 1.0082 2.6650 -0.5818 O.3 1 UNL1 -0.5446 39 C 3.1247 -1.6989 0.1329 C.2 1 UNL1 0.6673 40 C -3.8369 0.3811 0.3882 C.2 1 UNL1 0.6669 41 C -0.8836 -3.4977 -0.1348 C.2 1 UNL1 0.6314 42 C 3.6150 3.5800 0.0943 C.2 1 UNL1 0.6346 43 C -2.3149 4.7924 -0.3918 C.2 1 UNL1 0.6163 44 C -5.0257 -0.4025 0.0884 C.ar 1 UNL1 -0.4161 45 C 4.5835 -1.6880 0.2001 C.ar 1 UNL1 -0.4088 46 C 5.2605 -0.4693 0.4222 C.ar 1 UNL1 0.2392 47 C -4.8763 -1.7276 -0.3877 C.ar 1 UNL1 0.2210 48 O 2.6819 -2.6219 -0.7774 O.3 1 UNL1 -0.5197 49 O -4.0956 1.7314 0.3678 O.3 1 UNL1 -0.5403 50 O 4.1754 2.8430 -0.8840 O.3 1 UNL1 -0.4374 51 O -1.6436 -2.9728 0.8464 O.3 1 UNL1 -0.4275 52 O -1.1362 4.2904 0.0631 O.3 1 UNL1 -0.4474 53 H 1.0237 -4.1786 0.5764 H 1 UNL1 0.1809 54 H 0.6487 -2.5046 1.0236 H 1 UNL1 0.2201 55 H 7.2590 -3.8361 0.2784 H 1 UNL1 0.1892 56 H -8.4566 -0.2567 0.1908 H 1 UNL1 0.1909 57 H -4.1315 3.7502 -0.8021 H 1 UNL1 0.2063 58 H -4.0865 4.5267 0.7809 H 1 UNL1 0.1915 59 H 2.5504 4.3895 -1.6042 H 1 UNL1 0.1959 60 H 2.6941 5.4940 -0.2065 H 1 UNL1 0.1786 61 H 7.1752 0.4504 0.8466 H 1 UNL1 0.1901 62 H -5.8983 -3.5168 -1.0496 H 1 UNL1 0.1929 63 H 4.5166 1.2530 1.4583 H 1 UNL1 0.2026 64 H 3.4586 0.7412 0.1617 H 1 UNL1 0.2013 65 H -2.7708 -1.6116 -0.9202 H 1 UNL1 0.1907 66 H -3.5408 -3.1174 -1.3824 H 1 UNL1 0.1874 67 H 1.3183 -3.5312 -1.8557 H 1 UNL1 0.1521 68 H -2.0929 2.2120 0.1845 H 1 UNL1 0.1567 69 H 6.0223 2.3934 -0.0735 H 1 UNL1 0.1321 70 H -3.3047 -2.3085 1.6166 H 1 UNL1 0.1555 71 H 1.1494 3.8169 1.1268 H 1 UNL1 0.1469 72 H 0.1506 5.9008 -0.0926 H 1 UNL1 0.1433 73 H -0.0183 4.8884 -1.5780 H 1 UNL1 0.1552 74 H 0.5952 -0.6877 -0.7858 H 1 UNL1 0.1831 75 H 1.4055 -0.9836 -2.3272 H 1 UNL1 0.1653 76 H -0.2426 -1.5774 -2.0689 H 1 UNL1 0.1638 77 H -2.4880 1.7153 2.5916 H 1 UNL1 0.1792 78 H -2.1085 3.4398 2.4791 H 1 UNL1 0.1679 79 H -3.7868 2.9118 2.7038 H 1 UNL1 0.1559 80 H 5.8314 2.0592 -2.6031 H 1 UNL1 0.1590 81 H 6.3253 0.5392 -1.8304 H 1 UNL1 0.1658 82 H 4.6471 0.7742 -2.3566 H 1 UNL1 0.1664 83 H -3.2797 -5.0560 0.1329 H 1 UNL1 0.1726 84 H -3.2140 -4.8247 1.8842 H 1 UNL1 0.1580 85 H -4.6867 -4.4049 0.9923 H 1 UNL1 0.1605 @BOND 1 80 12 1 2 82 12 1 3 75 10 1 4 76 10 1 5 12 81 1 6 12 3 1 7 67 1 1 8 59 30 1 9 10 1 1 10 10 74 1 11 73 33 1 12 66 32 1 13 26 41 2 14 27 43 2 15 1 48 1 16 1 28 1 17 62 9 1 18 65 32 1 19 50 3 1 20 50 42 1 21 57 29 1 22 48 39 1 23 36 16 1 24 36 21 1 25 9 21 ar 26 9 47 ar 27 38 18 1 28 38 5 1 29 32 47 1 30 32 4 1 31 3 69 1 32 3 31 1 33 30 60 1 34 30 5 1 35 30 42 1 36 33 72 1 37 33 5 1 38 33 52 1 39 21 7 ar 40 14 34 1 41 43 52 1 42 43 29 1 43 47 44 ar 44 34 20 1 45 41 28 1 46 41 51 1 47 5 71 1 48 7 56 1 49 7 19 ar 50 29 2 1 51 29 58 1 52 44 19 ar 53 44 40 1 54 42 25 2 55 20 45 ar 56 20 6 ar 57 83 13 1 58 39 45 1 59 39 23 2 60 64 31 1 61 68 2 1 62 28 53 1 63 28 54 1 64 45 46 ar 65 19 35 1 66 55 6 1 67 6 22 ar 68 49 40 1 69 49 2 1 70 40 24 2 71 31 46 1 72 31 63 1 73 46 8 ar 74 22 8 ar 75 22 37 1 76 8 61 1 77 2 11 1 78 35 15 1 79 4 51 1 80 4 13 1 81 4 70 1 82 17 37 1 83 13 85 1 84 13 84 1 85 11 78 1 86 11 77 1 87 11 79 1