@MOLECULE (1s,5s,5as,5br,6r,6as,6br,7r,8as,9as,10as,11r,11ar,11bs,13s,13ar,13bs)-5,7-dihydroxy-1,5,5a,11a,13a-pentamethyl-4,8-dioxo-4,5,5a,5b,6,6a,6b,7,8,8a,9,9a,10a,11,11a,11b,12,13,13a,13b-icosahydro-1h-oxireno[6',7']naphtho[1',2':7,8]fluoreno[2,1-b]furan-6,11,13-triyl triacetate 90 96 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.0396 -0.6459 -1.3175 O.3 1 UNL1111111111 -0.3260 2 O 1.9096 -1.8554 -0.5348 O.3 1 UNL1111111111 -0.4389 3 O -0.1617 2.1334 -0.2535 O.3 1 UNL1111111111 -0.4520 4 O -4.0102 1.0956 -0.8617 O.3 1 UNL1111111111 -0.4361 5 O -0.1940 -3.2824 0.3614 O.3 1 UNL1111111111 -0.5375 6 O 5.7767 1.3456 -0.3189 O.3 1 UNL1111111111 -0.3551 7 O 4.4332 -1.6132 -1.5513 O.3 1 UNL1111111111 -0.5162 8 O -2.7589 -3.9769 0.3233 O.2 1 UNL1111111111 -0.4508 9 O 6.2720 0.5296 -2.3487 O.2 1 UNL1111111111 -0.4220 10 O 2.7747 -3.7031 0.4333 O.2 1 UNL1111111111 -0.5291 11 O -1.1968 4.1242 -0.1123 O.2 1 UNL1111111111 -0.5155 12 O -5.4331 2.8070 -0.5630 O.2 1 UNL1111111111 -0.5064 13 C 0.6388 0.8061 1.5127 C.3 1 UNL1111111111 0.0278 14 C 0.4006 -0.4159 0.5742 C.3 1 UNL1111111111 -0.1663 15 C 2.0973 1.1484 1.1378 C.3 1 UNL1111111111 -0.1594 16 C -0.9530 -1.0646 0.8464 C.3 1 UNL1111111111 -0.1530 17 C -2.0444 -0.0185 0.4950 C.3 1 UNL1111111111 -0.1263 18 C 2.7808 -0.2531 1.1186 C.3 1 UNL1111111111 -0.1792 19 C -3.4717 -0.5975 0.7072 C.3 1 UNL1111111111 0.0459 20 C 1.6744 -1.2694 0.7340 C.3 1 UNL1111111111 0.1304 21 C -0.4160 1.8588 1.1330 C.3 1 UNL1111111111 0.1246 22 C -1.8392 1.2978 1.2660 C.3 1 UNL1111111111 -0.3262 23 C 4.1110 -0.2060 0.3697 C.3 1 UNL1111111111 0.0203 24 C -3.6452 -1.8260 -0.2227 C.3 1 UNL1111111111 -0.2296 25 C -1.1203 -2.3066 -0.0489 C.3 1 UNL1111111111 0.0322 26 C 2.9572 2.0773 2.0242 C.3 1 UNL1111111111 -0.0679 27 C -4.5279 0.4738 0.3192 C.3 1 UNL1111111111 0.0913 28 C 0.5086 0.4910 3.0039 C.3 1 UNL1111111111 -0.4611 29 C -5.9034 -0.0729 -0.0119 C.3 1 UNL1111111111 -0.0588 30 C -6.1387 -1.5336 -0.2029 C.3 1 UNL1111111111 0.0140 31 C -5.0072 -2.5111 -0.0512 C.3 1 UNL1111111111 -0.2862 32 C -2.5477 -2.8233 0.0408 C.2 1 UNL1111111111 0.4061 33 C 4.2177 -0.2831 -1.1849 C.3 1 UNL1111111111 0.2314 34 C 4.7220 1.1756 0.5709 C.2 1 UNL1111111111 0.1433 35 C -3.7183 -0.9813 2.1703 C.3 1 UNL1111111111 -0.4665 36 C 4.2900 2.1864 1.3250 C.2 1 UNL1111111111 -0.2504 37 C 5.0490 -1.2652 0.9671 C.3 1 UNL1111111111 -0.4501 38 C 2.3361 3.4669 2.1732 C.3 1 UNL1111111111 -0.4498 39 C 5.5299 0.5257 -1.4167 C.2 1 UNL1111111111 0.5120 40 C 3.1155 0.3582 -2.0047 C.3 1 UNL1111111111 -0.5071 41 C 2.4049 -3.1244 -0.5548 C.2 1 UNL1111111111 0.6803 42 C -0.5905 3.3114 -0.7608 C.2 1 UNL1111111111 0.6290 43 C -4.5712 2.2842 -1.2189 C.2 1 UNL1111111111 0.6340 44 C 2.4009 -3.6326 -1.9581 C.3 1 UNL1111111111 -0.5011 45 C -0.1799 3.4085 -2.1916 C.3 1 UNL1111111111 -0.5131 46 C -3.9390 2.7781 -2.4720 C.3 1 UNL1111111111 -0.5113 47 H 0.3956 -0.0491 -0.4901 H 1 UNL1111111111 0.1697 48 H 2.0822 1.5866 0.1114 H 1 UNL1111111111 0.1597 49 H -1.0265 -1.3745 1.9127 H 1 UNL1111111111 0.1591 50 H -1.9350 0.2242 -0.5963 H 1 UNL1111111111 0.1626 51 H 3.0449 -0.5000 2.1870 H 1 UNL1111111111 0.1590 52 H 1.5624 -2.0675 1.5004 H 1 UNL1111111111 0.1622 53 H -0.3002 2.8010 1.7108 H 1 UNL1111111111 0.1424 54 H -2.5469 2.0670 0.8886 H 1 UNL1111111111 0.1675 55 H -2.0801 1.1700 2.3374 H 1 UNL1111111111 0.1519 56 H -3.5693 -1.4635 -1.2854 H 1 UNL1111111111 0.1903 57 H -0.8382 -2.0907 -1.1077 H 1 UNL1111111111 0.1642 58 H 3.0926 1.6292 3.0385 H 1 UNL1111111111 0.1468 59 H -4.6068 1.2473 1.1222 H 1 UNL1111111111 0.1526 60 H -0.5032 0.1743 3.2798 H 1 UNL1111111111 0.1504 61 H 0.7568 1.3664 3.6157 H 1 UNL1111111111 0.1509 62 H 1.1839 -0.3192 3.3059 H 1 UNL1111111111 0.1581 63 H -6.7288 0.5961 0.2609 H 1 UNL1111111111 0.1701 64 H -7.1404 -1.9495 -0.0506 H 1 UNL1111111111 0.1534 65 H -5.1072 -3.3266 -0.8026 H 1 UNL1111111111 0.1688 66 H -5.0664 -3.0234 0.9333 H 1 UNL1111111111 0.1681 67 H -3.4620 -0.1684 2.8589 H 1 UNL1111111111 0.1523 68 H -3.1267 -1.8563 2.4655 H 1 UNL1111111111 0.1581 69 H -4.7711 -1.2344 2.3502 H 1 UNL1111111111 0.1579 70 H 4.8210 3.1278 1.4027 H 1 UNL1111111111 0.1735 71 H 4.6132 -2.2729 0.8559 H 1 UNL1111111111 0.1887 72 H 5.2328 -1.0952 2.0327 H 1 UNL1111111111 0.1501 73 H 6.0243 -1.2900 0.4657 H 1 UNL1111111111 0.1614 74 H 2.1241 3.9222 1.1989 H 1 UNL1111111111 0.1505 75 H 3.0058 4.1472 2.7131 H 1 UNL1111111111 0.1500 76 H 1.3960 3.4301 2.7337 H 1 UNL1111111111 0.1424 77 H -0.6473 -4.0531 0.7795 H 1 UNL1111111111 0.3385 78 H 2.9490 1.4058 -1.7239 H 1 UNL1111111111 0.1642 79 H 3.3406 0.3336 -3.0781 H 1 UNL1111111111 0.1600 80 H 2.1610 -0.1740 -1.8602 H 1 UNL1111111111 0.1929 81 H 4.6633 -1.6784 -2.5067 H 1 UNL1111111111 0.3242 82 H 2.2864 -2.8264 -2.6955 H 1 UNL1111111111 0.1736 83 H 3.3402 -4.1660 -2.1712 H 1 UNL1111111111 0.1818 84 H 1.5707 -4.3431 -2.0973 H 1 UNL1111111111 0.1813 85 H 0.7837 3.9379 -2.2781 H 1 UNL1111111111 0.1880 86 H -0.9177 3.9796 -2.7748 H 1 UNL1111111111 0.1818 87 H -0.0532 2.4211 -2.6611 H 1 UNL1111111111 0.1843 88 H -3.1586 2.1026 -2.8522 H 1 UNL1111111111 0.1801 89 H -3.4886 3.7717 -2.3050 H 1 UNL1111111111 0.1911 90 H -4.6987 2.8925 -3.2637 H 1 UNL1111111111 0.1917 @BOND 1 1 29 1 2 1 30 1 3 2 20 1 4 2 41 1 5 3 21 1 6 3 42 1 7 4 27 1 8 4 43 1 9 5 25 1 10 5 77 1 11 6 34 1 12 6 39 1 13 7 33 1 14 7 81 1 15 8 32 2 16 9 39 2 17 10 41 2 18 11 42 2 19 12 43 2 20 13 14 1 21 13 15 1 22 13 21 1 23 13 28 1 24 14 16 1 25 14 20 1 26 14 47 1 27 15 18 1 28 15 26 1 29 15 48 1 30 16 17 1 31 16 25 1 32 16 49 1 33 17 19 1 34 17 22 1 35 17 50 1 36 18 20 1 37 18 23 1 38 18 51 1 39 19 24 1 40 19 27 1 41 19 35 1 42 20 52 1 43 21 22 1 44 21 53 1 45 22 54 1 46 22 55 1 47 23 33 1 48 23 34 1 49 23 37 1 50 24 31 1 51 24 32 1 52 24 56 1 53 25 32 1 54 25 57 1 55 26 36 1 56 26 38 1 57 26 58 1 58 27 29 1 59 27 59 1 60 28 60 1 61 28 61 1 62 28 62 1 63 29 30 1 64 29 63 1 65 30 31 1 66 30 64 1 67 31 65 1 68 31 66 1 69 33 39 1 70 33 40 1 71 34 36 2 72 35 67 1 73 35 68 1 74 35 69 1 75 36 70 1 76 37 71 1 77 37 72 1 78 37 73 1 79 38 74 1 80 38 75 1 81 38 76 1 82 40 78 1 83 40 79 1 84 40 80 1 85 41 44 1 86 42 45 1 87 43 46 1 88 44 82 1 89 44 83 1 90 44 84 1 91 45 85 1 92 45 86 1 93 45 87 1 94 46 88 1 95 46 89 1 96 46 90 1