@MOLECULE (3s,3ar,4s,6as,7e,11s,12r,13e,15as)-11,12-dihydroxy-3-isobutyl-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12-octahydro-1h-cycloundeca[d]isoindole-1,15(2h)-dione 64 66 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2713 1.6027 -1.3380 O.2 1 UNL1111111111 -0.5500 2 O 0.2874 1.4154 2.3955 O.2 1 UNL1111111111 -0.4401 3 O -4.4774 2.5719 -0.3087 O.3 1 UNL1111111111 -0.5674 4 O -5.9835 0.3245 0.3284 O.3 1 UNL1111111111 -0.5674 5 N 1.9258 1.0936 -1.1200 N.am 1 UNL1111111111 -0.6008 6 C 1.9265 -0.1939 0.9038 C.3 1 UNL1111111111 -0.1529 7 C 0.4572 0.0632 0.4460 C.3 1 UNL1111111111 -0.1692 8 C 2.8396 0.3343 -0.2536 C.3 1 UNL1111111111 0.0831 9 C 2.2121 -1.6816 1.2078 C.3 1 UNL1111111111 -0.1067 10 C -0.2854 -1.2562 0.0950 C.3 1 UNL1111111111 -0.0816 11 C 0.6057 0.9959 -0.7625 C.2 1 UNL1111111111 0.5964 12 C 3.9828 1.2227 0.2627 C.3 1 UNL1111111111 -0.3355 13 C 1.8414 -2.4864 -0.0095 C.2 1 UNL1111111111 0.0071 14 C 0.6402 -2.2454 -0.5528 C.2 1 UNL1111111111 -0.2229 15 C -0.3119 0.8392 1.5214 C.2 1 UNL1111111111 0.4778 16 C 3.6509 -1.8705 1.6887 C.3 1 UNL1111111111 -0.4475 17 C -1.4937 -1.0591 -0.7658 C.2 1 UNL1111111111 -0.2409 18 C 5.2546 1.1002 -0.5964 C.3 1 UNL1111111111 -0.0547 19 C 2.7911 -3.4841 -0.5647 C.3 1 UNL1111111111 -0.4453 20 C -1.7886 0.8431 1.4857 C.2 1 UNL1111111111 -0.2874 21 C -2.6026 -1.8061 -0.6850 C.2 1 UNL1111111111 0.0381 22 C 6.3936 1.8783 0.0751 C.3 1 UNL1111111111 -0.4554 23 C 5.0292 1.6279 -2.0172 C.3 1 UNL1111111111 -0.4571 24 C -3.8077 -1.4770 -1.5219 C.3 1 UNL1111111111 -0.2873 25 C -2.4908 1.5942 0.6368 C.2 1 UNL1111111111 -0.1214 26 C -4.2511 -0.0192 -1.3274 C.3 1 UNL1111111111 -0.3077 27 C -2.7471 -2.9741 0.2329 C.3 1 UNL1111111111 -0.4586 28 C -3.9862 1.6237 0.6251 C.3 1 UNL1111111111 0.0698 29 C -4.5887 0.2754 0.1397 C.3 1 UNL1111111111 0.1571 30 H 2.1326 0.3985 1.8289 H 1 UNL1111111111 0.1785 31 H 3.2513 -0.5263 -0.8429 H 1 UNL1111111111 0.1502 32 H 1.5323 -1.9962 2.0473 H 1 UNL1111111111 0.1513 33 H -0.6093 -1.6990 1.0830 H 1 UNL1111111111 0.1557 34 H 2.2714 1.6875 -1.8488 H 1 UNL1111111111 0.3286 35 H 3.6560 2.2795 0.3168 H 1 UNL1111111111 0.1633 36 H 4.2262 0.9473 1.3081 H 1 UNL1111111111 0.1543 37 H 0.2723 -2.7420 -1.4423 H 1 UNL1111111111 0.1609 38 H 3.8575 -1.2523 2.5710 H 1 UNL1111111111 0.1482 39 H 3.8406 -2.9122 1.9719 H 1 UNL1111111111 0.1473 40 H 4.3841 -1.6015 0.9204 H 1 UNL1111111111 0.1477 41 H -1.4288 -0.2471 -1.4932 H 1 UNL1111111111 0.1844 42 H 5.5472 0.0235 -0.6565 H 1 UNL1111111111 0.1254 43 H 3.7339 -3.0142 -0.8807 H 1 UNL1111111111 0.1560 44 H 2.3844 -4.0066 -1.4422 H 1 UNL1111111111 0.1536 45 H 3.0437 -4.2542 0.1786 H 1 UNL1111111111 0.1552 46 H -2.2480 0.2048 2.2406 H 1 UNL1111111111 0.1748 47 H 6.1566 2.9449 0.1582 H 1 UNL1111111111 0.1488 48 H 7.3235 1.7945 -0.4974 H 1 UNL1111111111 0.1433 49 H 6.5967 1.5047 1.0842 H 1 UNL1111111111 0.1421 50 H 5.9641 1.6293 -2.5902 H 1 UNL1111111111 0.1470 51 H 4.3173 1.0070 -2.5711 H 1 UNL1111111111 0.1421 52 H 4.6543 2.6572 -2.0098 H 1 UNL1111111111 0.1478 53 H -3.5796 -1.6564 -2.5929 H 1 UNL1111111111 0.1497 54 H -4.6567 -2.1495 -1.2867 H 1 UNL1111111111 0.1477 55 H -2.0107 2.2235 -0.1243 H 1 UNL1111111111 0.1934 56 H -3.4655 0.6728 -1.6946 H 1 UNL1111111111 0.1708 57 H -5.1346 0.1938 -1.9595 H 1 UNL1111111111 0.1517 58 H -3.1166 -2.6582 1.2192 H 1 UNL1111111111 0.1559 59 H -1.7962 -3.5026 0.3880 H 1 UNL1111111111 0.1548 60 H -3.4570 -3.7190 -0.1511 H 1 UNL1111111111 0.1517 61 H -4.4101 1.8960 1.6214 H 1 UNL1111111111 0.1436 62 H -4.2817 -0.5493 0.8226 H 1 UNL1111111111 0.1471 63 H -4.0265 3.4325 -0.2087 H 1 UNL1111111111 0.3244 64 H -6.3664 1.0924 -0.1487 H 1 UNL1111111111 0.3313 @BOND 1 1 11 2 2 2 15 2 3 3 28 1 4 3 63 1 5 4 29 1 6 4 64 1 7 5 8 1 8 5 11 am 9 5 34 1 10 6 7 1 11 6 8 1 12 6 9 1 13 6 30 1 14 7 10 1 15 7 11 1 16 7 15 1 17 8 12 1 18 8 31 1 19 9 13 1 20 9 16 1 21 9 32 1 22 10 14 1 23 10 17 1 24 10 33 1 25 12 18 1 26 12 35 1 27 12 36 1 28 13 14 2 29 13 19 1 30 14 37 1 31 15 20 1 32 16 38 1 33 16 39 1 34 16 40 1 35 17 21 2 36 17 41 1 37 18 22 1 38 18 23 1 39 18 42 1 40 19 43 1 41 19 44 1 42 19 45 1 43 20 25 2 44 20 46 1 45 21 24 1 46 21 27 1 47 22 47 1 48 22 48 1 49 22 49 1 50 23 50 1 51 23 51 1 52 23 52 1 53 24 26 1 54 24 53 1 55 24 54 1 56 25 28 1 57 25 55 1 58 26 29 1 59 26 56 1 60 26 57 1 61 27 58 1 62 27 59 1 63 27 60 1 64 28 29 1 65 28 61 1 66 29 62 1