@MOLECULE (1r,14s)-20,26-dimethoxy-15,31-dimethyl-8,24-dioxa-15,31-diazaheptacyclo[23.6.2.2~9,12~.1~3,7~.1~14,18~.0~22,34~.0~28,32~]heptatriaconta-3(37),4,6,9,11,18(34),19,21,25,27,32,35-dodecaene-6,21-diol 85 91 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0016 1.3340 -0.5286 O.3 1 UNL1111111111 -0.3650 2 O -3.8272 -0.1989 -3.4589 O.3 1 UNL1111111111 -0.2950 3 O -1.1758 -0.2050 -2.3821 O.3 1 UNL1111111111 -0.5200 4 O 1.1826 3.6745 -1.4945 O.3 1 UNL1111111111 -0.3065 5 O 0.6444 -3.8713 0.5158 O.3 1 UNL1111111111 -0.3051 6 O -0.4657 -2.7269 -1.7498 O.3 1 UNL1111111111 -0.4912 7 N -4.1020 1.7661 2.6088 N.3 1 UNL1111111111 -0.4113 8 N 5.7567 0.2357 1.4135 N.3 1 UNL1111111111 -0.4154 9 C -3.1113 0.8099 2.0621 C.3 1 UNL1111111111 0.0662 10 C -3.2129 0.6470 0.5624 C.ar 1 UNL1111111111 -0.0943 11 C 4.4487 -0.2544 0.9201 C.3 1 UNL1111111111 0.0639 12 C -5.4757 1.3977 2.2226 C.3 1 UNL1111111111 -0.1071 13 C -4.4754 0.7170 -0.0374 C.ar 1 UNL1111111111 0.0344 14 C -5.6988 1.1389 0.7168 C.3 1 UNL1111111111 -0.3231 15 C -3.3121 -0.5667 2.7657 C.3 1 UNL1111111111 -0.3021 16 C 3.5478 0.8350 0.3819 C.ar 1 UNL1111111111 -0.0813 17 C -2.0846 0.4001 -0.2256 C.ar 1 UNL1111111111 -0.0882 18 C 6.3830 1.1591 0.4490 C.3 1 UNL1111111111 -0.1043 19 C 4.0718 2.0399 -0.0867 C.ar 1 UNL1111111111 0.0198 20 C 5.5201 2.3799 0.0701 C.3 1 UNL1111111111 -0.3238 21 C 4.7315 -1.3236 -0.1839 C.3 1 UNL1111111111 -0.2907 22 C -4.6269 0.4418 -1.3962 C.ar 1 UNL1111111111 -0.2540 23 C -3.7724 3.1507 2.2040 C.3 1 UNL1111111111 -0.2742 24 C -0.6900 0.4087 0.3255 C.3 1 UNL1111111111 -0.0459 25 C 2.1705 0.6013 0.3228 C.ar 1 UNL1111111111 -0.2157 26 C -2.2446 0.1192 -1.5860 C.ar 1 UNL1111111111 0.1277 27 C -2.2943 -1.5467 2.2819 C.ar 1 UNL1111111111 -0.0153 28 C 1.3343 1.5223 -0.2910 C.ar 1 UNL1111111111 0.1029 29 C 3.2270 2.9832 -0.6771 C.ar 1 UNL1111111111 -0.2494 30 C -3.5150 0.1194 -2.1789 C.ar 1 UNL1111111111 0.1871 31 C 5.6238 0.8503 2.7521 C.3 1 UNL1111111111 -0.2766 32 C 3.4382 -1.8571 -0.7042 C.ar 1 UNL1111111111 -0.0187 33 C 1.8621 2.7250 -0.8000 C.ar 1 UNL1111111111 0.1757 34 C -0.9972 -1.5247 2.8003 C.ar 1 UNL1111111111 -0.1618 35 C -2.6317 -2.4395 1.2581 C.ar 1 UNL1111111111 -0.1427 36 C 2.6860 -2.7367 0.0778 C.ar 1 UNL1111111111 -0.1867 37 C 2.9263 -1.3774 -1.9140 C.ar 1 UNL1111111111 -0.1225 38 C 1.3817 -3.0322 -0.3019 C.ar 1 UNL1111111111 0.1067 39 C -0.0056 -2.3168 2.2287 C.ar 1 UNL1111111111 -0.2165 40 C -1.6545 -3.2386 0.6755 C.ar 1 UNL1111111111 -0.1613 41 C -0.3485 -3.1267 1.1471 C.ar 1 UNL1111111111 0.1837 42 C 1.6274 -1.6850 -2.3048 C.ar 1 UNL1111111111 -0.2558 43 C 0.8375 -2.4807 -1.4729 C.ar 1 UNL1111111111 0.2124 44 C -2.7650 -0.2139 -4.4068 C.3 1 UNL1111111111 -0.1895 45 C -0.2129 3.7893 -1.2364 C.3 1 UNL1111111111 -0.1882 46 H -2.0969 1.1999 2.3518 H 1 UNL1111111111 0.1476 47 H 3.9367 -0.7750 1.7745 H 1 UNL1111111111 0.1472 48 H -6.1680 2.1921 2.5757 H 1 UNL1111111111 0.1355 49 H -5.7460 0.4880 2.8064 H 1 UNL1111111111 0.1427 50 H -6.1008 2.0612 0.2435 H 1 UNL1111111111 0.1557 51 H -6.4967 0.3763 0.5970 H 1 UNL1111111111 0.1583 52 H -4.3384 -0.9407 2.5808 H 1 UNL1111111111 0.1566 53 H -3.2500 -0.4150 3.8624 H 1 UNL1111111111 0.1627 54 H 6.6247 0.5715 -0.4660 H 1 UNL1111111111 0.1441 55 H 7.3582 1.4934 0.8628 H 1 UNL1111111111 0.1362 56 H 5.9175 2.8337 -0.8604 H 1 UNL1111111111 0.1571 57 H 5.6198 3.1657 0.8493 H 1 UNL1111111111 0.1561 58 H 5.3646 -2.1226 0.2519 H 1 UNL1111111111 0.1639 59 H 5.3408 -0.8800 -0.9941 H 1 UNL1111111111 0.1533 60 H -5.6085 0.4752 -1.8664 H 1 UNL1111111111 0.1763 61 H -4.4862 3.8437 2.6763 H 1 UNL1111111111 0.1403 62 H -3.7885 3.3171 1.1157 H 1 UNL1111111111 0.1316 63 H -2.7699 3.4079 2.5838 H 1 UNL1111111111 0.1449 64 H -0.6127 0.7695 1.3669 H 1 UNL1111111111 0.1490 65 H -0.2256 -0.5987 0.2506 H 1 UNL1111111111 0.1615 66 H 1.7680 -0.3259 0.7319 H 1 UNL1111111111 0.1767 67 H 3.6215 3.9255 -1.0535 H 1 UNL1111111111 0.1754 68 H 6.6124 1.1956 3.0938 H 1 UNL1111111111 0.1415 69 H 5.2835 0.0810 3.4650 H 1 UNL1111111111 0.1443 70 H 4.9238 1.6990 2.7915 H 1 UNL1111111111 0.1285 71 H -0.7566 -0.8719 3.6364 H 1 UNL1111111111 0.1533 72 H -3.6553 -2.4810 0.8884 H 1 UNL1111111111 0.1587 73 H 3.0921 -3.1618 0.9934 H 1 UNL1111111111 0.1709 74 H 3.5355 -0.7242 -2.5378 H 1 UNL1111111111 0.1572 75 H -0.3587 0.2824 -2.0637 H 1 UNL1111111111 0.3664 76 H 1.0152 -2.3001 2.5989 H 1 UNL1111111111 0.1646 77 H -1.8785 -3.9071 -0.1563 H 1 UNL1111111111 0.1847 78 H 1.2208 -1.3021 -3.2372 H 1 UNL1111111111 0.1672 79 H -3.3075 -0.2966 -5.3568 H 1 UNL1111111111 0.1414 80 H -2.1294 -1.0924 -4.2464 H 1 UNL1111111111 0.1460 81 H -2.1789 0.7088 -4.3716 H 1 UNL1111111111 0.1407 82 H -0.4439 4.7812 -1.6440 H 1 UNL1111111111 0.1410 83 H -0.4383 3.7456 -0.1679 H 1 UNL1111111111 0.1380 84 H -0.7564 3.0106 -1.7846 H 1 UNL1111111111 0.1442 85 H -0.8934 -1.9061 -2.1304 H 1 UNL1111111111 0.3572 @BOND 1 1 24 1 2 1 28 1 3 2 30 1 4 2 44 1 5 3 26 1 6 3 75 1 7 4 33 1 8 4 45 1 9 5 38 1 10 5 41 1 11 6 43 1 12 6 85 1 13 7 9 1 14 7 12 1 15 7 23 1 16 8 11 1 17 8 18 1 18 8 31 1 19 9 10 1 20 9 15 1 21 9 46 1 22 10 13 ar 23 10 17 ar 24 11 16 1 25 11 21 1 26 11 47 1 27 12 14 1 28 12 48 1 29 12 49 1 30 13 14 1 31 13 22 ar 32 14 50 1 33 14 51 1 34 15 27 1 35 15 52 1 36 15 53 1 37 16 19 ar 38 16 25 ar 39 17 24 1 40 17 26 ar 41 18 20 1 42 18 54 1 43 18 55 1 44 19 20 1 45 19 29 ar 46 20 56 1 47 20 57 1 48 21 32 1 49 21 58 1 50 21 59 1 51 22 30 ar 52 22 60 1 53 23 61 1 54 23 62 1 55 23 63 1 56 24 64 1 57 24 65 1 58 25 28 ar 59 25 66 1 60 26 30 ar 61 27 34 ar 62 27 35 ar 63 28 33 ar 64 29 33 ar 65 29 67 1 66 31 68 1 67 31 69 1 68 31 70 1 69 32 36 ar 70 32 37 ar 71 34 39 ar 72 34 71 1 73 35 40 ar 74 35 72 1 75 36 38 ar 76 36 73 1 77 37 42 ar 78 37 74 1 79 38 43 ar 80 39 41 ar 81 39 76 1 82 40 41 ar 83 40 77 1 84 42 43 ar 85 42 78 1 86 44 79 1 87 44 80 1 88 44 81 1 89 45 82 1 90 45 83 1 91 45 84 1