@MOLECULE 4-{[(2r,3as,3bs,5as,6r,8br,10as)-2,6-diethynyl-6-hydroxy-3a,5a-dimethylhexadecahydrodicyclopenta[a,f]naphthalen-2-yl]oxy}-4-oxobutanoic acid 65 68 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.1620 -0.4788 0.8275 O.3 1 UNL1111111111 -0.5485 2 O 3.6057 0.1925 -0.6328 O.3 1 UNL1111111111 -0.4552 3 O 5.1756 1.5340 0.2701 O.2 1 UNL1111111111 -0.4970 4 O 3.1682 -3.4135 -0.2349 O.3 1 UNL1111111111 -0.5666 5 O 4.0602 -2.3557 1.5115 O.2 1 UNL1111111111 -0.5108 6 C -1.0426 0.3429 -0.1353 C.3 1 UNL1111111111 -0.1261 7 C 0.4776 0.3350 0.1112 C.3 1 UNL1111111111 0.0667 8 C -1.7862 0.3968 1.2209 C.3 1 UNL1111111111 -0.1160 9 C -3.3088 0.4406 1.0201 C.3 1 UNL1111111111 -0.1341 10 C -3.8333 -0.6935 0.0993 C.3 1 UNL1111111111 0.0338 11 C 0.8109 1.6524 0.8754 C.3 1 UNL1111111111 -0.1228 12 C -1.5096 -0.8881 -0.9243 C.3 1 UNL1111111111 -0.2741 13 C -1.3334 1.5836 2.0975 C.3 1 UNL1111111111 -0.2823 14 C -3.0130 -0.7992 -1.1988 C.3 1 UNL1111111111 -0.2925 15 C 1.3464 0.4910 -1.1588 C.3 1 UNL1111111111 -0.3294 16 C 0.1959 1.6400 2.2677 C.3 1 UNL1111111111 -0.2720 17 C -5.2800 -0.1824 -0.2451 C.3 1 UNL1111111111 0.2939 18 C -3.8522 1.7382 0.3854 C.3 1 UNL1111111111 -0.2741 19 C 2.3322 1.7806 0.7531 C.3 1 UNL1111111111 -0.3260 20 C 2.6206 1.2399 -0.6713 C.3 1 UNL1111111111 0.3304 21 C -5.2054 1.3642 -0.2409 C.3 1 UNL1111111111 -0.2922 22 C 0.9330 -0.9249 0.8556 C.3 1 UNL1111111111 -0.4625 23 C -3.8766 -2.0368 0.8210 C.3 1 UNL1111111111 -0.4656 24 C -5.8170 -0.7263 -1.4709 C.1 1 UNL1111111111 -0.1304 25 C 3.0460 2.2627 -1.5920 C.1 1 UNL1111111111 -0.1312 26 C 4.8397 0.4581 -0.1486 C.2 1 UNL1111111111 0.6136 27 C -6.2906 -1.1813 -2.4868 C.1 1 UNL1111111111 -0.1913 28 C 3.4009 3.1224 -2.3659 C.1 1 UNL1111111111 -0.1650 29 C 5.7052 -0.7714 -0.2122 C.3 1 UNL1111111111 -0.3351 30 C 4.9805 -2.0114 -0.7242 C.3 1 UNL1111111111 -0.3246 31 C 4.0638 -2.5572 0.3261 C.2 1 UNL1111111111 0.6578 32 H -1.3006 1.2567 -0.7227 H 1 UNL1111111111 0.1373 33 H -1.5523 -0.5467 1.7760 H 1 UNL1111111111 0.1386 34 H -3.7930 0.3208 2.0218 H 1 UNL1111111111 0.1478 35 H 0.3569 2.5097 0.3123 H 1 UNL1111111111 0.1394 36 H -1.2793 -1.8159 -0.3693 H 1 UNL1111111111 0.1404 37 H -0.9549 -0.9606 -1.8779 H 1 UNL1111111111 0.1358 38 H -1.8185 1.5133 3.0877 H 1 UNL1111111111 0.1340 39 H -1.6845 2.5339 1.6541 H 1 UNL1111111111 0.1386 40 H -3.2179 0.0795 -1.8419 H 1 UNL1111111111 0.1453 41 H -3.3424 -1.6803 -1.7805 H 1 UNL1111111111 0.1398 42 H 0.8274 1.0674 -1.9402 H 1 UNL1111111111 0.1548 43 H 1.6090 -0.4793 -1.6109 H 1 UNL1111111111 0.1651 44 H 0.4861 2.5437 2.8332 H 1 UNL1111111111 0.1374 45 H 0.5596 0.7838 2.8627 H 1 UNL1111111111 0.1450 46 H -3.1581 2.1255 -0.3792 H 1 UNL1111111111 0.1398 47 H -3.9637 2.5335 1.1388 H 1 UNL1111111111 0.1386 48 H 2.6906 2.8131 0.8864 H 1 UNL1111111111 0.1627 49 H 2.8603 1.1828 1.5163 H 1 UNL1111111111 0.1687 50 H -6.0484 1.7657 0.3548 H 1 UNL1111111111 0.1674 51 H -5.3165 1.7756 -1.2549 H 1 UNL1111111111 0.1451 52 H 0.8017 -1.8191 0.2380 H 1 UNL1111111111 0.1395 53 H 1.9983 -0.8679 1.1194 H 1 UNL1111111111 0.1624 54 H 0.3809 -1.0780 1.7882 H 1 UNL1111111111 0.1487 55 H -4.3632 -2.8061 0.2122 H 1 UNL1111111111 0.1442 56 H -2.8639 -2.3926 1.0488 H 1 UNL1111111111 0.1543 57 H -4.4117 -1.9671 1.7767 H 1 UNL1111111111 0.1543 58 H -6.3841 -1.4306 0.8489 H 1 UNL1111111111 0.3146 59 H -6.6919 -1.5653 -3.3526 H 1 UNL1111111111 0.1868 60 H 3.7052 3.8565 -3.0188 H 1 UNL1111111111 0.1853 61 H 6.1190 -0.9539 0.8108 H 1 UNL1111111111 0.1995 62 H 6.5878 -0.5433 -0.8508 H 1 UNL1111111111 0.1820 63 H 5.7070 -2.8004 -1.0213 H 1 UNL1111111111 0.1805 64 H 4.4049 -1.7859 -1.6544 H 1 UNL1111111111 0.2002 65 H 2.5335 -3.8032 0.4145 H 1 UNL1111111111 0.3555 @BOND 1 1 17 1 2 1 58 1 3 2 20 1 4 2 26 1 5 3 26 2 6 4 31 1 7 4 65 1 8 5 31 2 9 6 7 1 10 6 8 1 11 6 12 1 12 6 32 1 13 7 11 1 14 7 15 1 15 7 22 1 16 8 9 1 17 8 13 1 18 8 33 1 19 9 10 1 20 9 18 1 21 9 34 1 22 10 14 1 23 10 17 1 24 10 23 1 25 11 16 1 26 11 19 1 27 11 35 1 28 12 14 1 29 12 36 1 30 12 37 1 31 13 16 1 32 13 38 1 33 13 39 1 34 14 40 1 35 14 41 1 36 15 20 1 37 15 42 1 38 15 43 1 39 16 44 1 40 16 45 1 41 17 21 1 42 17 24 1 43 18 21 1 44 18 46 1 45 18 47 1 46 19 20 1 47 19 48 1 48 19 49 1 49 20 25 1 50 21 50 1 51 21 51 1 52 22 52 1 53 22 53 1 54 22 54 1 55 23 55 1 56 23 56 1 57 23 57 1 58 24 27 3 59 25 28 3 60 26 29 1 61 27 59 1 62 28 60 1 63 29 30 1 64 29 61 1 65 29 62 1 66 30 31 1 67 30 63 1 68 30 64 1