@MOLECULE 9,10,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2~3,6~.2~18,21~.1~8,12~.0~16,35~.0~27,31~]heptatriaconta-3,5,8(35),9,11,18,20,24,26,31,33,36-dodecaen-32-ol 88 94 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3192 -0.2082 -1.0640 O.3 1 UNL1111111111 -0.3045 2 O 3.7401 -2.4894 -0.4746 O.3 1 UNL1111111111 -0.3103 3 O 2.1615 -0.5398 0.4682 O.3 1 UNL1111111111 -0.4309 4 O -4.0371 1.5350 -2.3480 O.3 1 UNL1111111111 -0.3083 5 O -6.7223 1.8012 -1.2445 O.3 1 UNL1111111111 -0.3009 6 O 6.4996 -1.8127 -1.0817 O.3 1 UNL1111111111 -0.3086 7 N -3.2615 -1.7162 2.8652 N.3 1 UNL1111111111 -0.4327 8 N 3.8869 3.1528 1.7600 N.3 1 UNL1111111111 -0.4131 9 C -2.8411 -1.3169 1.4895 C.3 1 UNL1111111111 0.0864 10 C 3.0709 2.1971 0.9796 C.3 1 UNL1111111111 0.0930 11 C -3.8624 -0.4913 0.7438 C.ar 1 UNL1111111111 -0.1567 12 C 3.9568 1.0930 0.4612 C.ar 1 UNL1111111111 -0.2496 13 C -4.3209 -0.8679 3.4508 C.3 1 UNL1111111111 -0.0974 14 C -5.1655 -0.2924 1.2200 C.ar 1 UNL1111111111 0.0793 15 C -5.5462 -0.9088 2.5240 C.3 1 UNL1111111111 -0.2906 16 C 4.9762 3.7247 0.9408 C.3 1 UNL1111111111 -0.1032 17 C -2.5943 -2.6517 0.7181 C.3 1 UNL1111111111 -0.2979 18 C 5.9766 2.6010 0.6116 C.3 1 UNL1111111111 -0.2908 19 C 5.3192 1.3107 0.2312 C.ar 1 UNL1111111111 0.1420 20 C 2.3064 2.8431 -0.2232 C.3 1 UNL1111111111 -0.3415 21 C -3.5297 0.0973 -0.4757 C.ar 1 UNL1111111111 0.1632 22 C 3.4361 -0.1832 0.2140 C.ar 1 UNL1111111111 0.2771 23 C -2.0979 -1.7653 3.7741 C.3 1 UNL1111111111 -0.2782 24 C -1.2137 -2.7047 0.1450 C.ar 1 UNL1111111111 0.0126 25 C -6.0815 0.4793 0.5160 C.ar 1 UNL1111111111 -0.2874 26 C 1.0215 2.1271 -0.4739 C.ar 1 UNL1111111111 -0.0713 27 C 3.0724 4.2054 2.3968 C.3 1 UNL1111111111 -0.2750 28 C 6.1221 0.3025 -0.2958 C.ar 1 UNL1111111111 -0.3553 29 C -4.4284 0.8786 -1.2121 C.ar 1 UNL1111111111 -0.0030 30 C 4.2263 -1.2172 -0.3216 C.ar 1 UNL1111111111 -0.0619 31 C -5.7175 1.0762 -0.6999 C.ar 1 UNL1111111111 0.2203 32 C 5.5777 -0.9595 -0.5765 C.ar 1 UNL1111111111 0.2652 33 C 0.9015 1.2829 -1.5841 C.ar 1 UNL1111111111 -0.1011 34 C -0.0487 2.2761 0.4105 C.ar 1 UNL1111111111 -0.1180 35 C -1.0200 -2.6183 -1.2354 C.ar 1 UNL1111111111 -0.1575 36 C -0.1051 -2.8352 0.9850 C.ar 1 UNL1111111111 -0.1924 37 C -1.2937 0.6723 -0.8498 C.ar 1 UNL1111111111 0.2507 38 C 1.3734 -2.6862 -0.9140 C.ar 1 UNL1111111111 -0.0313 39 C -0.2585 0.5501 -1.7853 C.ar 1 UNL1111111111 -0.2136 40 C -1.2213 1.5467 0.2314 C.ar 1 UNL1111111111 -0.2659 41 C 2.7504 -2.6246 -1.5001 C.3 1 UNL1111111111 -0.0576 42 C 0.2684 -2.6087 -1.7637 C.ar 1 UNL1111111111 -0.1786 43 C 1.1838 -2.8282 0.4606 C.ar 1 UNL1111111111 -0.1003 44 C -3.7489 0.6562 -3.4369 C.3 1 UNL1111111111 -0.2053 45 C -6.4339 2.5801 -2.3993 C.3 1 UNL1111111111 -0.1907 46 C 6.1308 -3.1740 -1.2620 C.3 1 UNL1111111111 -0.1892 47 H -1.8810 -0.7268 1.5237 H 1 UNL1111111111 0.1427 48 H 2.3241 1.7729 1.7074 H 1 UNL1111111111 0.1416 49 H -3.9978 0.1827 3.6121 H 1 UNL1111111111 0.1186 50 H -4.5846 -1.2877 4.4457 H 1 UNL1111111111 0.1331 51 H -6.4067 -0.4016 2.9965 H 1 UNL1111111111 0.1478 52 H -5.8602 -1.9648 2.3614 H 1 UNL1111111111 0.1750 53 H 5.4891 4.5165 1.5282 H 1 UNL1111111111 0.1317 54 H 4.6129 4.2022 0.0066 H 1 UNL1111111111 0.1158 55 H -3.3647 -2.7738 -0.0672 H 1 UNL1111111111 0.1553 56 H -2.7623 -3.5091 1.4058 H 1 UNL1111111111 0.1742 57 H 6.6067 2.4062 1.5110 H 1 UNL1111111111 0.1692 58 H 6.6697 2.9422 -0.1820 H 1 UNL1111111111 0.1495 59 H 2.9586 2.8328 -1.1187 H 1 UNL1111111111 0.1607 60 H 2.1145 3.9142 -0.0224 H 1 UNL1111111111 0.1516 61 H -1.3576 -2.4807 3.3704 H 1 UNL1111111111 0.1532 62 H -2.4178 -2.1561 4.7531 H 1 UNL1111111111 0.1400 63 H -1.6020 -0.7956 3.9270 H 1 UNL1111111111 0.1212 64 H -7.0892 0.6365 0.8960 H 1 UNL1111111111 0.1792 65 H 2.6335 4.9388 1.7039 H 1 UNL1111111111 0.1182 66 H 3.7083 4.7477 3.1180 H 1 UNL1111111111 0.1459 67 H 2.2577 3.7391 2.9754 H 1 UNL1111111111 0.1469 68 H 7.1795 0.4691 -0.4807 H 1 UNL1111111111 0.1761 69 H 1.7299 1.1883 -2.2861 H 1 UNL1111111111 0.1566 70 H 0.0323 2.9638 1.2511 H 1 UNL1111111111 0.1520 71 H -1.8789 -2.5355 -1.8984 H 1 UNL1111111111 0.1527 72 H -0.2468 -2.9409 2.0585 H 1 UNL1111111111 0.1468 73 H -0.3638 -0.1262 -2.6288 H 1 UNL1111111111 0.1691 74 H -2.0578 1.6613 0.9151 H 1 UNL1111111111 0.1710 75 H 3.0289 -3.5943 -1.9623 H 1 UNL1111111111 0.1371 76 H 2.8427 -1.8227 -2.2534 H 1 UNL1111111111 0.1390 77 H 0.4097 -2.5325 -2.8378 H 1 UNL1111111111 0.1402 78 H 2.0491 -2.9091 1.1214 H 1 UNL1111111111 0.1704 79 H 1.5848 0.2230 0.7462 H 1 UNL1111111111 0.3305 80 H -4.5926 -0.0067 -3.6429 H 1 UNL1111111111 0.1276 81 H -2.8408 0.0774 -3.2347 H 1 UNL1111111111 0.1490 82 H -3.5822 1.3541 -4.2652 H 1 UNL1111111111 0.1403 83 H -6.2318 1.9334 -3.2578 H 1 UNL1111111111 0.1373 84 H -5.5967 3.2632 -2.2167 H 1 UNL1111111111 0.1482 85 H -7.3693 3.1368 -2.5382 H 1 UNL1111111111 0.1419 86 H 7.0863 -3.6348 -1.5420 H 1 UNL1111111111 0.1386 87 H 5.3999 -3.2677 -2.0698 H 1 UNL1111111111 0.1345 88 H 5.7479 -3.6082 -0.3311 H 1 UNL1111111111 0.1501 @BOND 1 1 21 1 2 1 37 1 3 2 30 1 4 2 41 1 5 3 22 1 6 3 79 1 7 4 29 1 8 4 44 1 9 5 31 1 10 5 45 1 11 6 32 1 12 6 46 1 13 7 9 1 14 7 13 1 15 7 23 1 16 8 10 1 17 8 16 1 18 8 27 1 19 9 11 1 20 9 17 1 21 9 47 1 22 10 12 1 23 10 20 1 24 10 48 1 25 11 14 ar 26 11 21 ar 27 12 19 ar 28 12 22 ar 29 13 15 1 30 13 49 1 31 13 50 1 32 14 15 1 33 14 25 ar 34 15 51 1 35 15 52 1 36 16 18 1 37 16 53 1 38 16 54 1 39 17 24 1 40 17 55 1 41 17 56 1 42 18 19 1 43 18 57 1 44 18 58 1 45 19 28 ar 46 20 26 1 47 20 59 1 48 20 60 1 49 21 29 ar 50 22 30 ar 51 23 61 1 52 23 62 1 53 23 63 1 54 24 35 ar 55 24 36 ar 56 25 31 ar 57 25 64 1 58 26 33 ar 59 26 34 ar 60 27 65 1 61 27 66 1 62 27 67 1 63 28 32 ar 64 28 68 1 65 29 31 ar 66 30 32 ar 67 33 39 ar 68 33 69 1 69 34 40 ar 70 34 70 1 71 35 42 ar 72 35 71 1 73 36 43 ar 74 36 72 1 75 37 39 ar 76 37 40 ar 77 38 41 1 78 38 42 ar 79 38 43 ar 80 39 73 1 81 40 74 1 82 41 75 1 83 41 76 1 84 42 77 1 85 43 78 1 86 44 80 1 87 44 81 1 88 44 82 1 89 45 83 1 90 45 84 1 91 45 85 1 92 46 86 1 93 46 87 1 94 46 88 1