@MOLECULE 14-ethyl-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1~2,5~.0~1,13~.0~3,8~.0~8,12~.0~16,20~]docos-21-yl acetate 77 83 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1529 -0.7095 -2.5477 O.3 1 UNL11 -0.3848 2 O 2.0728 -1.5430 -1.5167 O.3 1 UNL11 -0.4324 3 O 0.4761 -0.3270 2.7843 O.3 1 UNL11 -0.5768 4 O 0.1127 -2.6446 -0.0804 O.3 1 UNL11 -0.4347 5 O -2.1331 2.3260 0.9317 O.3 1 UNL11 -0.3885 6 O 4.0635 -0.4271 0.3770 O.3 1 UNL11 -0.3612 7 O 1.8364 2.9996 -0.4106 O.3 1 UNL11 -0.4127 8 O -1.4960 -4.2223 -0.1273 O.2 1 UNL11 -0.5214 9 N -1.9276 0.8585 -1.4038 N.3 1 UNL11 -0.4343 10 C -0.7854 0.3724 0.8646 C.3 1 UNL11 -0.0978 11 C 0.0663 -0.4864 -1.1555 C.3 1 UNL11 0.1344 12 C 0.6387 0.2290 1.4920 C.3 1 UNL11 0.2809 13 C -0.6739 0.7866 -0.6506 C.3 1 UNL11 0.0394 14 C -1.4918 -0.9965 0.6823 C.3 1 UNL11 -0.1695 15 C 1.5709 -0.4329 -0.7551 C.3 1 UNL11 0.2504 16 C 1.7148 -0.6353 0.7397 C.3 1 UNL11 -0.2218 17 C -0.7802 -1.6330 -0.5282 C.3 1 UNL11 0.0832 18 C -2.9767 -0.7064 0.3775 C.3 1 UNL11 0.0768 19 C -1.5872 1.3258 1.7793 C.3 1 UNL11 0.1179 20 C 1.3292 1.5936 1.7544 C.3 1 UNL11 -0.3117 21 C 2.7338 1.4956 1.1410 C.3 1 UNL11 -0.1828 22 C 3.0361 -0.0171 1.2505 C.3 1 UNL11 0.0985 23 C 2.3129 0.7963 -1.3209 C.3 1 UNL11 -0.3703 24 C -3.1517 0.4027 -0.7054 C.3 1 UNL11 -0.1190 25 C 2.7422 1.9009 -0.3462 C.3 1 UNL11 0.1283 26 C -3.6421 -0.2333 1.6932 C.3 1 UNL11 -0.2869 27 C -2.7073 0.6163 2.5566 C.3 1 UNL11 -0.3121 28 C -3.6994 -1.9803 -0.0822 C.3 1 UNL11 -0.4742 29 C 1.2742 -1.5925 -2.7007 C.3 1 UNL11 0.1579 30 C -2.1256 2.1983 -2.0141 C.3 1 UNL11 -0.0729 31 C -3.1449 2.0949 -3.1576 C.3 1 UNL11 -0.4498 32 C -0.3467 -3.9113 0.0478 C.2 1 UNL11 0.6335 33 C -2.2238 3.6017 1.5350 C.3 1 UNL11 -0.2058 34 C 5.3598 -0.2633 0.9206 C.3 1 UNL11 -0.2092 35 C 2.0110 3.8412 -1.5302 C.3 1 UNL11 -0.1927 36 C 0.7883 -4.7941 0.4463 C.3 1 UNL11 -0.5156 37 H -0.0620 1.7104 -0.7626 H 1 UNL11 0.1728 38 H -1.4121 -1.6479 1.5735 H 1 UNL11 0.1492 39 H 1.6540 -1.7100 1.0058 H 1 UNL11 0.1856 40 H -1.4708 -2.0539 -1.2910 H 1 UNL11 0.1765 41 H -0.9197 1.8096 2.5331 H 1 UNL11 0.1305 42 H 0.7550 2.4377 1.3319 H 1 UNL11 0.1773 43 H 1.3916 1.7750 2.8447 H 1 UNL11 0.1627 44 H 3.4581 2.1162 1.6989 H 1 UNL11 0.1394 45 H 3.2551 -0.3245 2.2920 H 1 UNL11 0.1299 46 H 1.7109 1.2352 -2.1425 H 1 UNL11 0.1680 47 H 3.2370 0.4001 -1.8059 H 1 UNL11 0.1760 48 H -3.6908 1.2658 -0.2504 H 1 UNL11 0.1375 49 H -3.8131 0.0150 -1.5162 H 1 UNL11 0.1413 50 H 3.7598 2.2606 -0.6234 H 1 UNL11 0.1120 51 H -3.9786 -1.1111 2.2779 H 1 UNL11 0.1378 52 H -4.5644 0.3301 1.4609 H 1 UNL11 0.1368 53 H -3.2965 1.3724 3.1081 H 1 UNL11 0.1364 54 H -2.2314 -0.0199 3.3312 H 1 UNL11 0.1472 55 H 0.1139 -1.2333 2.7249 H 1 UNL11 0.3209 56 H -3.4628 -2.8364 0.5632 H 1 UNL11 0.1637 57 H -3.4059 -2.2760 -1.0982 H 1 UNL11 0.1606 58 H -4.7853 -1.8494 -0.0852 H 1 UNL11 0.1420 59 H 1.8510 -1.2131 -3.5533 H 1 UNL11 0.1193 60 H 0.9189 -2.6274 -2.7975 H 1 UNL11 0.1252 61 H -2.4465 2.9637 -1.2762 H 1 UNL11 0.1196 62 H -1.1495 2.5346 -2.4309 H 1 UNL11 0.1318 63 H -3.1190 2.9891 -3.7856 H 1 UNL11 0.1336 64 H -4.1654 1.9714 -2.7847 H 1 UNL11 0.1377 65 H -2.9177 1.2263 -3.7924 H 1 UNL11 0.1654 66 H -2.8498 3.5759 2.4312 H 1 UNL11 0.1199 67 H -1.2277 3.9954 1.7625 H 1 UNL11 0.1232 68 H -2.7023 4.2110 0.7586 H 1 UNL11 0.1400 69 H 6.0099 -0.6202 0.1116 H 1 UNL11 0.1453 70 H 5.4938 -0.8839 1.8117 H 1 UNL11 0.1215 71 H 5.5669 0.7874 1.1409 H 1 UNL11 0.1179 72 H 1.2259 4.5958 -1.3945 H 1 UNL11 0.1417 73 H 1.8551 3.2985 -2.4681 H 1 UNL11 0.1239 74 H 2.9978 4.3129 -1.5145 H 1 UNL11 0.1147 75 H 1.7679 -4.3468 0.2029 H 1 UNL11 0.1936 76 H 0.7235 -5.7650 -0.0670 H 1 UNL11 0.1802 77 H 0.7729 -4.9892 1.5284 H 1 UNL11 0.1787 @BOND 1 1 11 1 2 1 29 1 3 2 15 1 4 2 29 1 5 3 12 1 6 3 55 1 7 4 17 1 8 4 32 1 9 5 19 1 10 5 33 1 11 6 22 1 12 6 34 1 13 7 25 1 14 7 35 1 15 8 32 2 16 9 13 1 17 9 24 1 18 9 30 1 19 10 12 1 20 11 13 1 21 12 16 1 22 12 20 1 23 13 10 1 24 13 37 1 25 14 10 1 26 14 17 1 27 14 38 1 28 15 11 1 29 15 23 1 30 16 15 1 31 16 39 1 32 17 11 1 33 17 40 1 34 18 14 1 35 18 24 1 36 18 26 1 37 18 28 1 38 19 10 1 39 19 27 1 40 19 41 1 41 20 21 1 42 20 42 1 43 20 43 1 44 21 22 1 45 21 44 1 46 22 16 1 47 22 45 1 48 23 25 1 49 23 46 1 50 23 47 1 51 24 48 1 52 24 49 1 53 25 21 1 54 25 50 1 55 26 27 1 56 26 51 1 57 26 52 1 58 27 53 1 59 27 54 1 60 28 56 1 61 28 57 1 62 28 58 1 63 29 59 1 64 29 60 1 65 30 31 1 66 30 61 1 67 30 62 1 68 31 63 1 69 31 64 1 70 31 65 1 71 32 36 1 72 33 66 1 73 33 67 1 74 33 68 1 75 34 69 1 76 34 70 1 77 34 71 1 78 35 72 1 79 35 73 1 80 35 74 1 81 36 75 1 82 36 76 1 83 36 77 1