@MOLECULE (7r,11r,15r,23r,27r)-2,4,18,20-tetrahydroxy-7,11,15,23,27-pentamethyl-7,8,11,12,15,16,23,24,27,28-decahydro-5h,9h,13h,21h,25h-dibenzo[k,u][1,5,9,15,19]pentaoxacyclotetracosine-5,9,13,21,25-pentone 84 86 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.1948 2.0820 0.3644 O.3 1 UNL1111111111 -0.4574 2 O -5.0584 0.8437 0.0868 O.3 1 UNL1111111111 -0.4329 3 O 0.2359 2.1460 -0.5875 O.3 1 UNL1111111111 -0.4815 4 O 1.3414 -0.2503 1.7363 O.3 1 UNL1111111111 -0.4647 5 O -2.8483 -0.3872 2.2313 O.3 1 UNL1111111111 -0.4475 6 O 0.9738 -0.2068 -1.7590 O.3 1 UNL1111111111 -0.4638 7 O 0.9501 -2.7665 0.3259 O.3 1 UNL1111111111 -0.4855 8 O 2.8452 1.7011 -1.3957 O.2 1 UNL1111111111 -0.5322 9 O -2.5593 -3.1476 -2.1499 O.3 1 UNL1111111111 -0.4589 10 O 4.3323 -3.1493 -2.9060 O.3 1 UNL1111111111 -0.4704 11 O -5.7673 -1.2339 -0.4173 O.2 1 UNL1111111111 -0.5411 12 O -1.2220 3.1118 -1.9899 O.2 1 UNL1111111111 -0.5272 13 O 3.0865 -0.9675 2.9464 O.2 1 UNL1111111111 -0.5179 14 O -1.1446 -1.7371 1.6749 O.2 1 UNL1111111111 -0.5369 15 C -3.5972 1.6274 -1.5897 C.3 1 UNL1111111111 -0.3560 16 C 5.1121 -0.0914 0.7053 C.3 1 UNL1111111111 -0.3670 17 C -5.0539 1.2556 -1.2941 C.3 1 UNL1111111111 0.1674 18 C 5.2073 1.1891 -0.1383 C.3 1 UNL1111111111 0.1819 19 C -2.6467 0.4769 -1.7143 C.ar 1 UNL1111111111 0.2325 20 C 4.2139 -1.0959 0.0505 C.ar 1 UNL1111111111 0.2052 21 C -1.2587 0.7347 -1.6389 C.ar 1 UNL1111111111 -0.4363 22 C 0.8496 3.4143 -0.3331 C.3 1 UNL1111111111 0.1976 23 C 2.9589 -1.4313 0.5890 C.ar 1 UNL1111111111 -0.3940 24 C 2.0857 3.0317 0.4887 C.3 1 UNL1111111111 -0.4086 25 C -3.7955 -1.4498 2.0167 C.3 1 UNL1111111111 0.1919 26 C -5.1189 -0.6879 1.8462 C.3 1 UNL1111111111 -0.3972 27 C -5.9741 2.4703 -1.3429 C.3 1 UNL1111111111 -0.4835 28 C 6.5091 1.9453 0.0985 C.3 1 UNL1111111111 -0.4809 29 C 0.6245 0.1462 2.9074 C.3 1 UNL1111111111 0.1890 30 C -3.0935 -0.8183 -1.9086 C.ar 1 UNL1111111111 -0.4487 31 C 4.6575 -1.6902 -1.1234 C.ar 1 UNL1111111111 -0.3715 32 C -0.7271 0.5673 2.3095 C.3 1 UNL1111111111 -0.4027 33 C 3.0331 2.1952 -0.3109 C.2 1 UNL1111111111 0.6467 34 C -0.3493 -0.3362 -1.7561 C.ar 1 UNL1111111111 0.4541 35 C -5.3628 -0.4319 0.3879 C.2 1 UNL1111111111 0.6298 36 C -0.7986 2.1040 -1.4806 C.2 1 UNL1111111111 0.6634 37 C 2.1394 -2.3444 -0.1043 C.ar 1 UNL1111111111 0.4747 38 C 2.5342 -0.8965 1.8782 C.2 1 UNL1111111111 0.6584 39 C -0.0990 4.2892 0.4757 C.3 1 UNL1111111111 -0.4974 40 C -2.1589 -1.8676 -1.9917 C.ar 1 UNL1111111111 0.4068 41 C 3.8247 -2.6174 -1.7700 C.ar 1 UNL1111111111 0.4067 42 C -3.7929 -2.3426 3.2474 C.3 1 UNL1111111111 -0.4934 43 C -0.7913 -1.6579 -1.9216 C.ar 1 UNL1111111111 -0.3885 44 C -1.5415 -0.6499 2.0192 C.2 1 UNL1111111111 0.6427 45 C 2.5754 -2.9737 -1.2817 C.ar 1 UNL1111111111 -0.4390 46 C 1.3103 1.2975 3.6257 C.3 1 UNL1111111111 -0.4975 47 H -3.2533 2.3235 -0.7879 H 1 UNL1111111111 0.1822 48 H -3.5441 2.2373 -2.5237 H 1 UNL1111111111 0.1949 49 H 4.7829 0.1673 1.7362 H 1 UNL1111111111 0.1883 50 H 6.1218 -0.5328 0.8510 H 1 UNL1111111111 0.1767 51 H -5.4311 0.4377 -1.9479 H 1 UNL1111111111 0.1512 52 H 5.0319 0.9949 -1.2225 H 1 UNL1111111111 0.1608 53 H 1.1181 3.8734 -1.3122 H 1 UNL1111111111 0.1493 54 H 1.7747 2.4381 1.3882 H 1 UNL1111111111 0.2073 55 H 2.5907 3.9357 0.8849 H 1 UNL1111111111 0.1858 56 H -3.5039 -2.0115 1.0973 H 1 UNL1111111111 0.1600 57 H -5.0800 0.2658 2.4219 H 1 UNL1111111111 0.1974 58 H -5.9667 -1.2677 2.2664 H 1 UNL1111111111 0.1861 59 H -5.9886 2.9198 -2.3423 H 1 UNL1111111111 0.1595 60 H -7.0032 2.1950 -1.0841 H 1 UNL1111111111 0.1579 61 H -5.6601 3.2427 -0.6292 H 1 UNL1111111111 0.1619 62 H 6.6497 2.1840 1.1604 H 1 UNL1111111111 0.1610 63 H 7.3752 1.3637 -0.2372 H 1 UNL1111111111 0.1574 64 H 6.5148 2.8986 -0.4465 H 1 UNL1111111111 0.1589 65 H 0.5373 -0.7454 3.5712 H 1 UNL1111111111 0.1432 66 H -4.1509 -1.0492 -2.0002 H 1 UNL1111111111 0.1878 67 H 5.6221 -1.4502 -1.5574 H 1 UNL1111111111 0.1799 68 H -0.5579 1.1265 1.3503 H 1 UNL1111111111 0.2229 69 H -1.2611 1.2745 2.9740 H 1 UNL1111111111 0.1858 70 H 0.3855 5.2113 0.8119 H 1 UNL1111111111 0.1527 71 H -0.9693 4.5852 -0.1317 H 1 UNL1111111111 0.1802 72 H -0.4851 3.7653 1.3570 H 1 UNL1111111111 0.1555 73 H -4.5465 -3.1352 3.1729 H 1 UNL1111111111 0.1606 74 H -2.8157 -2.8368 3.3657 H 1 UNL1111111111 0.1770 75 H -3.9844 -1.7756 4.1656 H 1 UNL1111111111 0.1580 76 H -0.0808 -2.4807 -1.9659 H 1 UNL1111111111 0.2117 77 H 1.9313 -3.6897 -1.7775 H 1 UNL1111111111 0.1886 78 H 0.7651 1.5868 4.5313 H 1 UNL1111111111 0.1552 79 H 2.3270 1.0092 3.9427 H 1 UNL1111111111 0.1861 80 H 1.4092 2.1890 2.9947 H 1 UNL1111111111 0.1495 81 H 1.3361 0.7075 -1.5631 H 1 UNL1111111111 0.3836 82 H 0.4351 -2.1414 0.9157 H 1 UNL1111111111 0.3884 83 H -3.5471 -3.2372 -2.1492 H 1 UNL1111111111 0.3353 84 H 3.6913 -3.7549 -3.3552 H 1 UNL1111111111 0.3330 @BOND 1 1 18 1 2 1 33 1 3 2 17 1 4 2 35 1 5 3 22 1 6 3 36 1 7 4 29 1 8 4 38 1 9 5 25 1 10 5 44 1 11 6 34 1 12 6 81 1 13 7 37 1 14 7 82 1 15 8 33 2 16 9 40 1 17 9 83 1 18 10 41 1 19 10 84 1 20 11 35 2 21 12 36 2 22 13 38 2 23 14 44 2 24 15 17 1 25 15 19 1 26 15 47 1 27 15 48 1 28 16 18 1 29 16 20 1 30 16 49 1 31 16 50 1 32 17 27 1 33 17 51 1 34 18 28 1 35 18 52 1 36 19 21 ar 37 19 30 ar 38 20 23 ar 39 20 31 ar 40 21 34 ar 41 21 36 1 42 22 24 1 43 22 39 1 44 22 53 1 45 23 37 ar 46 23 38 1 47 24 33 1 48 24 54 1 49 24 55 1 50 25 26 1 51 25 42 1 52 25 56 1 53 26 35 1 54 26 57 1 55 26 58 1 56 27 59 1 57 27 60 1 58 27 61 1 59 28 62 1 60 28 63 1 61 28 64 1 62 29 32 1 63 29 46 1 64 29 65 1 65 30 40 ar 66 30 66 1 67 31 41 ar 68 31 67 1 69 32 44 1 70 32 68 1 71 32 69 1 72 34 43 ar 73 37 45 ar 74 39 70 1 75 39 71 1 76 39 72 1 77 40 43 ar 78 41 45 ar 79 42 73 1 80 42 74 1 81 42 75 1 82 43 76 1 83 45 77 1 84 46 78 1 85 46 79 1 86 46 80 1