@MOLECULE (3s,4ar,9s,10as,13s,21r,22ar,25s)-3-chloro-9,21-dihydroxy-13-(hydroxymethyl)-13-methyl-25-[(2e,4e)-6-methyl-2,4-heptadien-1-yl]hexadecahydro-7h,19h-tripyridazino[1,6-d:1',6'-j:1'',6''-m][1,4,7,10,13,16]oxapentaazacyclooctadecine-5,11,14,17,23,26(1h,16h)-hexone 97 100 0 0 0 SMALL GASTEIGER @ATOM 1 CL 2.1720 -6.1488 0.2534 Cl 1 UNL111111111 -0.2015 2 O 7.8640 -1.8457 -0.5429 O.3 1 UNL111111111 -0.5673 3 O 2.4757 -1.5111 1.4162 O.2 1 UNL111111111 -0.4640 4 O 5.4744 2.0213 1.1774 O.2 1 UNL111111111 -0.5427 5 O 0.4386 -0.2071 -1.7689 O.2 1 UNL111111111 -0.5049 6 O -6.4762 4.2555 -0.6318 O.3 1 UNL111111111 -0.5701 7 O 1.1034 4.0779 -0.4393 O.3 1 UNL111111111 -0.3348 8 O -2.8330 1.2171 0.9592 O.2 1 UNL111111111 -0.4534 9 O 3.5842 3.0160 -1.5122 O.3 1 UNL111111111 -0.5320 10 O -0.8626 5.2160 1.0229 O.2 1 UNL111111111 -0.4945 11 O 0.6156 2.0794 0.4773 O.2 1 UNL111111111 -0.4946 12 N 3.9218 -0.8050 -0.1321 N.am 1 UNL111111111 -0.4171 13 N 0.4980 -2.1190 -0.5751 N.am 1 UNL111111111 -0.3859 14 N 4.4953 -1.1024 -1.3792 N.3 1 UNL111111111 -0.3164 15 N 0.1395 -2.7166 0.6720 N.3 1 UNL111111111 -0.3147 16 N -2.4996 4.0690 -0.0199 N.am 1 UNL111111111 -0.4032 17 N 3.2387 1.6404 1.0109 N.am 1 UNL111111111 -0.5999 18 N -1.9747 0.6558 -1.0517 N.am 1 UNL111111111 -0.6062 19 N -3.4086 4.3578 1.0388 N.3 1 UNL111111111 -0.3057 20 C 1.9501 -2.2325 -0.8429 C.3 1 UNL111111111 0.0441 21 C 4.7922 -0.2809 0.9471 C.3 1 UNL111111111 -0.0295 22 C 2.3382 -3.7241 -0.8884 C.3 1 UNL111111111 -0.3164 23 C 6.2847 -0.4928 0.6703 C.3 1 UNL111111111 -0.3664 24 C 2.7813 -1.5488 0.2481 C.2 1 UNL111111111 0.5416 25 C 6.5459 -1.8290 -0.0241 C.3 1 UNL111111111 0.1417 26 C 1.8661 -4.3938 0.3921 C.3 1 UNL111111111 -0.0032 27 C 5.6669 -2.0133 -1.2803 C.3 1 UNL111111111 -0.1847 28 C 0.3579 -4.1901 0.5812 C.3 1 UNL111111111 -0.1564 29 C 4.5494 1.2425 1.0680 C.2 1 UNL111111111 0.5592 30 C -2.9538 2.9111 -0.7984 C.3 1 UNL111111111 0.0456 31 C -0.1270 -0.9198 -0.9682 C.2 1 UNL111111111 0.5278 32 C -1.5906 -0.6706 -0.5670 C.3 1 UNL111111111 0.0247 33 C -4.4981 2.8902 -0.8733 C.3 1 UNL111111111 -0.3477 34 C -5.0712 4.3122 -0.8103 C.3 1 UNL111111111 0.1730 35 C 2.8457 3.0440 0.8015 C.3 1 UNL111111111 0.1727 36 C -2.5515 1.5571 -0.1629 C.2 1 UNL111111111 0.5385 37 C -4.5703 5.0762 0.4424 C.3 1 UNL111111111 -0.1670 38 C -2.4640 -1.7576 -1.2361 C.3 1 UNL111111111 -0.3134 39 C -1.1713 4.4719 0.1170 C.2 1 UNL111111111 0.5298 40 C 3.7175 3.7148 -0.2949 C.3 1 UNL111111111 -0.0357 41 C 2.8845 3.8418 2.1007 C.3 1 UNL111111111 -0.4683 42 C 1.3981 2.9743 0.2942 C.2 1 UNL111111111 0.5575 43 C -0.2018 4.0993 -0.9917 C.3 1 UNL111111111 -0.1117 44 C -3.8428 -1.7918 -0.6673 C.2 1 UNL111111111 -0.1385 45 C -4.5411 -2.9298 -0.5477 C.2 1 UNL111111111 -0.1719 46 C -5.9244 -2.9447 -0.0939 C.2 1 UNL111111111 -0.1906 47 C -6.5662 -4.0629 0.2709 C.2 1 UNL111111111 -0.1406 48 C -8.0104 -4.0674 0.6806 C.3 1 UNL111111111 -0.0767 49 C -8.7608 -5.1422 -0.1183 C.3 1 UNL111111111 -0.4492 50 C -8.1258 -4.3386 2.1865 C.3 1 UNL111111111 -0.4453 51 H 2.1499 -1.7491 -1.8476 H 1 UNL111111111 0.2153 52 H 4.5085 -0.7586 1.9294 H 1 UNL111111111 0.1946 53 H 3.4323 -3.8260 -1.0336 H 1 UNL111111111 0.1670 54 H 1.8738 -4.1948 -1.7813 H 1 UNL111111111 0.1745 55 H 6.8493 -0.4178 1.6202 H 1 UNL111111111 0.1682 56 H 6.6948 0.3356 0.0464 H 1 UNL111111111 0.1903 57 H 6.4380 -2.6861 0.6752 H 1 UNL111111111 0.1251 58 H 2.4383 -4.0498 1.2834 H 1 UNL111111111 0.1794 59 H 5.2915 -3.0578 -1.3320 H 1 UNL111111111 0.1532 60 H 6.2967 -1.8684 -2.1921 H 1 UNL111111111 0.1792 61 H -0.2201 -4.6819 -0.2283 H 1 UNL111111111 0.1435 62 H 0.0126 -4.6227 1.5480 H 1 UNL111111111 0.1670 63 H 4.7723 -0.1987 -1.7988 H 1 UNL111111111 0.2717 64 H -0.8526 -2.5165 0.8676 H 1 UNL111111111 0.2643 65 H -2.5280 3.0194 -1.8310 H 1 UNL111111111 0.1446 66 H -1.6981 -0.6970 0.5593 H 1 UNL111111111 0.2029 67 H -4.9112 2.3236 -0.0015 H 1 UNL111111111 0.2005 68 H -4.8230 2.3614 -1.7829 H 1 UNL111111111 0.1444 69 H -4.8754 4.8796 -1.7441 H 1 UNL111111111 0.1154 70 H 2.4870 0.9498 0.9826 H 1 UNL111111111 0.3514 71 H -5.3698 5.0591 1.2240 H 1 UNL111111111 0.1828 72 H -4.3615 6.1332 0.1912 H 1 UNL111111111 0.1318 73 H -1.5414 0.9444 -1.9173 H 1 UNL111111111 0.3232 74 H -1.9735 -2.7494 -1.1644 H 1 UNL111111111 0.1526 75 H -2.5338 -1.5527 -2.3306 H 1 UNL111111111 0.1699 76 H -2.9239 4.9443 1.7406 H 1 UNL111111111 0.2844 77 H 8.5253 -1.6803 0.1558 H 1 UNL111111111 0.3242 78 H 4.7858 3.7628 -0.0068 H 1 UNL111111111 0.1620 79 H 3.3609 4.7352 -0.5413 H 1 UNL111111111 0.1637 80 H 3.8934 3.8114 2.5418 H 1 UNL111111111 0.1806 81 H 2.1866 3.4374 2.8490 H 1 UNL111111111 0.1750 82 H 2.6196 4.8952 1.9418 H 1 UNL111111111 0.1698 83 H -0.1378 4.9129 -1.7456 H 1 UNL111111111 0.1804 84 H -0.4161 3.1382 -1.4923 H 1 UNL111111111 0.1602 85 H -4.2514 -0.8222 -0.3778 H 1 UNL111111111 0.1672 86 H -6.8934 3.6364 -1.2574 H 1 UNL111111111 0.3175 87 H 3.7366 2.0596 -1.3733 H 1 UNL111111111 0.3129 88 H -4.1147 -3.8966 -0.8129 H 1 UNL111111111 0.1447 89 H -6.4269 -1.9753 -0.0788 H 1 UNL111111111 0.1517 90 H -6.0790 -5.0354 0.2887 H 1 UNL111111111 0.1442 91 H -8.4782 -3.0738 0.4647 H 1 UNL111111111 0.1375 92 H -8.6686 -4.9699 -1.1963 H 1 UNL111111111 0.1451 93 H -8.3761 -6.1459 0.0919 H 1 UNL111111111 0.1457 94 H -9.8284 -5.1431 0.1279 H 1 UNL111111111 0.1455 95 H -9.1734 -4.3287 2.5100 H 1 UNL111111111 0.1453 96 H -7.5918 -3.5766 2.7666 H 1 UNL111111111 0.1492 97 H -7.7054 -5.3140 2.4554 H 1 UNL111111111 0.1458 @BOND 1 1 26 1 2 2 25 1 3 2 77 1 4 3 24 2 5 4 29 2 6 5 31 2 7 6 34 1 8 6 86 1 9 7 42 1 10 7 43 1 11 8 36 2 12 9 40 1 13 9 87 1 14 10 39 2 15 11 42 2 16 12 14 1 17 12 21 1 18 12 24 am 19 13 15 1 20 13 20 1 21 13 31 am 22 14 27 1 23 14 63 1 24 15 28 1 25 15 64 1 26 16 19 1 27 16 30 1 28 16 39 am 29 17 29 am 30 17 35 1 31 17 70 1 32 18 32 1 33 18 36 am 34 18 73 1 35 19 37 1 36 19 76 1 37 20 22 1 38 20 24 1 39 20 51 1 40 21 23 1 41 21 29 1 42 21 52 1 43 22 26 1 44 22 53 1 45 22 54 1 46 23 25 1 47 23 55 1 48 23 56 1 49 25 27 1 50 25 57 1 51 26 28 1 52 26 58 1 53 27 59 1 54 27 60 1 55 28 61 1 56 28 62 1 57 30 33 1 58 30 36 1 59 30 65 1 60 31 32 1 61 32 38 1 62 32 66 1 63 33 34 1 64 33 67 1 65 33 68 1 66 34 37 1 67 34 69 1 68 35 40 1 69 35 41 1 70 35 42 1 71 37 71 1 72 37 72 1 73 38 44 1 74 38 74 1 75 38 75 1 76 39 43 1 77 40 78 1 78 40 79 1 79 41 80 1 80 41 81 1 81 41 82 1 82 43 83 1 83 43 84 1 84 44 45 2 85 44 85 1 86 45 46 1 87 45 88 1 88 46 47 2 89 46 89 1 90 47 48 1 91 47 90 1 92 48 49 1 93 48 50 1 94 48 91 1 95 49 92 1 96 49 93 1 97 49 94 1 98 50 95 1 99 50 96 1 100 50 97 1