@MOLECULE (1r,2r,4r,7r,8r,9r,10s,11r,12r,13s,17r,18r)-8,10-dihydroxy-1,5,9,18-tetramethyl-16,20-dioxahexacyclo[15.3.2.0~2,13~.0~4,12~.0~7,11~.0~14,19~]docosa-5,14(19)-dien-15-one 61 66 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.6719 0.2815 -1.8918 O.2 1 UNL1111111111 -0.3824 2 O 2.2726 1.7577 -2.0537 O.3 1 UNL1111111111 -0.5621 3 O 4.8356 -0.8122 -0.7937 O.3 1 UNL1111111111 -0.5569 4 O -2.8681 0.7801 2.0362 O.3 1 UNL1111111111 -0.4463 5 O -1.0032 1.9239 2.2159 O.2 1 UNL1111111111 -0.4432 6 C 0.7927 0.0862 0.4469 C.3 1 UNL1111111111 -0.1316 7 C -0.3298 0.4197 -0.5490 C.3 1 UNL1111111111 -0.0799 8 C 2.1641 0.1738 -0.2127 C.3 1 UNL1111111111 -0.1802 9 C -0.6857 -0.9466 -1.2393 C.3 1 UNL1111111111 -0.1684 10 C 0.5473 -1.3873 0.8817 C.3 1 UNL1111111111 -0.1164 11 C -0.1516 -2.0609 -0.3256 C.3 1 UNL1111111111 -0.2876 12 C 3.2248 -0.2254 0.8355 C.3 1 UNL1111111111 -0.1427 13 C -2.1764 -1.0682 -1.6285 C.3 1 UNL1111111111 0.2807 14 C 2.6408 1.5477 -0.7133 C.3 1 UNL1111111111 0.1503 15 C 4.5425 0.1913 0.1599 C.3 1 UNL1111111111 0.1284 16 C 4.1939 1.5228 -0.5666 C.3 1 UNL1111111111 -0.2094 17 C -1.5604 0.9942 0.0502 C.2 1 UNL1111111111 -0.2996 18 C 1.7848 -2.1555 1.2697 C.2 1 UNL1111111111 0.0009 19 C 3.0244 -1.6472 1.2168 C.2 1 UNL1111111111 -0.1886 20 C -3.1800 -1.7284 -0.6406 C.3 1 UNL1111111111 -0.3241 21 C -2.6908 0.9174 -0.6885 C.2 1 UNL1111111111 0.2756 22 C -4.0465 1.0166 -0.0669 C.3 1 UNL1111111111 -0.1873 23 C -2.3188 -1.7348 -2.9997 C.3 1 UNL1111111111 -0.4862 24 C -3.7980 0.1182 1.1772 C.3 1 UNL1111111111 0.1302 25 C -3.2215 -1.2810 0.8319 C.3 1 UNL1111111111 -0.3271 26 C -1.7177 1.3113 1.4704 C.2 1 UNL1111111111 0.6264 27 C 4.6910 2.7247 0.2238 C.3 1 UNL1111111111 -0.4488 28 C 1.5357 -3.5526 1.7368 C.3 1 UNL1111111111 -0.4530 29 C -4.4623 2.4302 0.3050 C.3 1 UNL1111111111 -0.4363 30 H 0.7623 0.7635 1.3298 H 1 UNL1111111111 0.1670 31 H 0.0522 1.1340 -1.3283 H 1 UNL1111111111 0.1843 32 H 2.2068 -0.5491 -1.0662 H 1 UNL1111111111 0.1640 33 H -0.0966 -0.9687 -2.1906 H 1 UNL1111111111 0.1507 34 H -0.1461 -1.3741 1.7573 H 1 UNL1111111111 0.1434 35 H 0.5701 -2.6865 -0.8834 H 1 UNL1111111111 0.1465 36 H -0.9382 -2.7494 0.0143 H 1 UNL1111111111 0.1373 37 H 3.1062 0.4009 1.7609 H 1 UNL1111111111 0.1588 38 H 2.1621 2.4037 -0.1961 H 1 UNL1111111111 0.1567 39 H 5.3923 0.2748 0.8600 H 1 UNL1111111111 0.1158 40 H 4.6500 1.5242 -1.5809 H 1 UNL1111111111 0.1524 41 H 3.9143 -2.2172 1.4555 H 1 UNL1111111111 0.1530 42 H -4.1941 -1.6030 -1.0748 H 1 UNL1111111111 0.1530 43 H -2.9903 -2.8217 -0.6548 H 1 UNL1111111111 0.1500 44 H -4.8235 0.5633 -0.7279 H 1 UNL1111111111 0.1705 45 H -1.8790 -2.7370 -3.0036 H 1 UNL1111111111 0.1569 46 H -3.3683 -1.8182 -3.3050 H 1 UNL1111111111 0.1569 47 H -1.8198 -1.1390 -3.7777 H 1 UNL1111111111 0.1701 48 H -4.6934 0.0551 1.8287 H 1 UNL1111111111 0.1503 49 H -2.1942 -1.3377 1.2562 H 1 UNL1111111111 0.1761 50 H -3.8012 -2.0366 1.3996 H 1 UNL1111111111 0.1463 51 H 5.7827 2.7303 0.3137 H 1 UNL1111111111 0.1410 52 H 4.4034 3.6649 -0.2663 H 1 UNL1111111111 0.1562 53 H 4.2742 2.7474 1.2384 H 1 UNL1111111111 0.1513 54 H 1.0900 -4.1700 0.9452 H 1 UNL1111111111 0.1520 55 H 2.4573 -4.0587 2.0535 H 1 UNL1111111111 0.1503 56 H 0.8485 -3.5690 2.5946 H 1 UNL1111111111 0.1544 57 H 2.5977 1.0384 -2.6286 H 1 UNL1111111111 0.3151 58 H 5.6937 -0.6391 -1.2230 H 1 UNL1111111111 0.3087 59 H -4.4976 3.0779 -0.5809 H 1 UNL1111111111 0.1573 60 H -5.4551 2.4480 0.7704 H 1 UNL1111111111 0.1513 61 H -3.7656 2.8934 1.0192 H 1 UNL1111111111 0.1677 @BOND 1 1 13 1 2 1 21 1 3 2 14 1 4 2 57 1 5 3 15 1 6 3 58 1 7 4 24 1 8 4 26 1 9 5 26 2 10 6 7 1 11 6 8 1 12 6 10 1 13 6 30 1 14 7 9 1 15 7 17 1 16 7 31 1 17 8 12 1 18 8 14 1 19 8 32 1 20 9 11 1 21 9 13 1 22 9 33 1 23 10 11 1 24 10 18 1 25 10 34 1 26 11 35 1 27 11 36 1 28 12 15 1 29 12 19 1 30 12 37 1 31 13 20 1 32 13 23 1 33 14 16 1 34 14 38 1 35 15 16 1 36 15 39 1 37 16 27 1 38 16 40 1 39 17 21 2 40 17 26 1 41 18 19 2 42 18 28 1 43 19 41 1 44 20 25 1 45 20 42 1 46 20 43 1 47 21 22 1 48 22 24 1 49 22 29 1 50 22 44 1 51 23 45 1 52 23 46 1 53 23 47 1 54 24 25 1 55 24 48 1 56 25 49 1 57 25 50 1 58 27 51 1 59 27 52 1 60 27 53 1 61 28 54 1 62 28 55 1 63 28 56 1 64 29 59 1 65 29 60 1 66 29 61 1