@MOLECULE 7-{2-[4-(1-hydroxyhexyl)phenyl]-5-oxocyclopentyl}heptanoic acid 64 65 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.7410 -4.3715 -0.2899 O.2 1 UNL1111111111 -0.4627 2 O 5.9796 0.4066 -1.7362 O.3 1 UNL1111111111 -0.5600 3 O -8.6449 2.2421 -1.0296 O.3 1 UNL1111111111 -0.5755 4 O -7.4567 2.7228 0.7900 O.2 1 UNL1111111111 -0.5082 5 C -0.1087 -2.6389 0.1435 C.3 1 UNL1111111111 -0.2266 6 C 1.1905 -2.7388 0.9831 C.3 1 UNL1111111111 -0.1259 7 C 1.6426 -4.2169 0.8863 C.3 1 UNL1111111111 -0.2661 8 C -1.0937 -1.6337 0.7407 C.3 1 UNL1111111111 -0.2656 9 C 0.3670 -5.0317 0.6463 C.3 1 UNL1111111111 -0.3884 10 C -0.6564 -4.0545 0.1146 C.2 1 UNL1111111111 0.4850 11 C 2.2319 -1.7752 0.5007 C.ar 1 UNL1111111111 -0.0042 12 C -2.2520 -1.3462 -0.2218 C.3 1 UNL1111111111 -0.2795 13 C -3.2264 -0.3364 0.3953 C.3 1 UNL1111111111 -0.2676 14 C 2.7578 -1.8667 -0.7905 C.ar 1 UNL1111111111 -0.1783 15 C 2.6663 -0.7547 1.3499 C.ar 1 UNL1111111111 -0.1726 16 C -4.4245 -0.1091 -0.5356 C.3 1 UNL1111111111 -0.2700 17 C 4.1146 0.0870 -0.3865 C.ar 1 UNL1111111111 -0.0360 18 C 3.6955 -0.9391 -1.2336 C.ar 1 UNL1111111111 -0.1164 19 C 3.6086 0.1709 0.9105 C.ar 1 UNL1111111111 -0.1581 20 C 5.0973 1.1160 -0.8744 C.3 1 UNL1111111111 0.1480 21 C -5.4088 0.8845 0.0898 C.3 1 UNL1111111111 -0.2572 22 C 4.4029 2.2305 -1.6790 C.3 1 UNL1111111111 -0.3290 23 C 3.3779 3.0032 -0.8453 C.3 1 UNL1111111111 -0.2713 24 C -6.6090 1.1067 -0.8345 C.3 1 UNL1111111111 -0.3476 25 C 4.0419 3.8644 0.2357 C.3 1 UNL1111111111 -0.2700 26 C 2.9794 4.5779 1.0828 C.3 1 UNL1111111111 -0.2488 27 C -7.5509 2.0955 -0.2309 C.2 1 UNL1111111111 0.6470 28 C 3.6321 5.4194 2.1792 C.3 1 UNL1111111111 -0.4411 29 H 0.1322 -2.3398 -0.9067 H 1 UNL1111111111 0.1745 30 H 0.9419 -2.5254 2.0525 H 1 UNL1111111111 0.1482 31 H 2.3646 -4.3596 0.0632 H 1 UNL1111111111 0.1509 32 H 2.1689 -4.5290 1.8023 H 1 UNL1111111111 0.1457 33 H -0.5584 -0.6907 0.9737 H 1 UNL1111111111 0.1463 34 H -1.4888 -2.0077 1.7046 H 1 UNL1111111111 0.1420 35 H 0.5238 -5.8652 -0.0609 H 1 UNL1111111111 0.1724 36 H -0.0073 -5.5012 1.5751 H 1 UNL1111111111 0.1719 37 H -2.7831 -2.2913 -0.4628 H 1 UNL1111111111 0.1648 38 H -1.8657 -0.9657 -1.1847 H 1 UNL1111111111 0.1364 39 H -2.7086 0.6208 0.5920 H 1 UNL1111111111 0.1359 40 H -3.5768 -0.7018 1.3791 H 1 UNL1111111111 0.1384 41 H 2.4336 -2.6630 -1.4580 H 1 UNL1111111111 0.1539 42 H 2.2711 -0.6783 2.3607 H 1 UNL1111111111 0.1512 43 H -4.0732 0.2606 -1.5163 H 1 UNL1111111111 0.1370 44 H -4.9300 -1.0731 -0.7382 H 1 UNL1111111111 0.1425 45 H 4.1125 -1.0120 -2.2396 H 1 UNL1111111111 0.1691 46 H 3.9432 0.9615 1.5802 H 1 UNL1111111111 0.1518 47 H 5.7081 1.5330 -0.0412 H 1 UNL1111111111 0.1227 48 H -4.9039 1.8490 0.2985 H 1 UNL1111111111 0.1520 49 H -5.7519 0.5177 1.0780 H 1 UNL1111111111 0.1526 50 H 5.1610 2.9226 -2.0891 H 1 UNL1111111111 0.1416 51 H 3.9035 1.7761 -2.5589 H 1 UNL1111111111 0.1571 52 H 2.7706 3.6457 -1.5124 H 1 UNL1111111111 0.1401 53 H 2.6583 2.2982 -0.3822 H 1 UNL1111111111 0.1495 54 H -7.1393 0.1490 -1.0338 H 1 UNL1111111111 0.1833 55 H -6.2795 1.4641 -1.8349 H 1 UNL1111111111 0.1809 56 H 4.6812 3.2411 0.8875 H 1 UNL1111111111 0.1342 57 H 4.7166 4.6065 -0.2295 H 1 UNL1111111111 0.1365 58 H 6.6433 1.0087 -2.1205 H 1 UNL1111111111 0.3134 59 H 2.2934 3.8360 1.5343 H 1 UNL1111111111 0.1357 60 H 2.3488 5.2191 0.4386 H 1 UNL1111111111 0.1338 61 H 4.2937 6.1843 1.7580 H 1 UNL1111111111 0.1416 62 H 4.2314 4.8013 2.8566 H 1 UNL1111111111 0.1427 63 H 2.8789 5.9355 2.7849 H 1 UNL1111111111 0.1406 64 H -9.3072 2.8866 -0.6828 H 1 UNL1111111111 0.3554 @BOND 1 1 10 2 2 2 20 1 3 2 58 1 4 3 27 1 5 3 64 1 6 4 27 2 7 5 6 1 8 5 8 1 9 5 10 1 10 5 29 1 11 6 7 1 12 6 11 1 13 6 30 1 14 7 9 1 15 7 31 1 16 7 32 1 17 8 12 1 18 8 33 1 19 8 34 1 20 9 10 1 21 9 35 1 22 9 36 1 23 11 14 ar 24 11 15 ar 25 12 13 1 26 12 37 1 27 12 38 1 28 13 16 1 29 13 39 1 30 13 40 1 31 14 18 ar 32 14 41 1 33 15 19 ar 34 15 42 1 35 16 21 1 36 16 43 1 37 16 44 1 38 17 18 ar 39 17 19 ar 40 17 20 1 41 18 45 1 42 19 46 1 43 20 22 1 44 20 47 1 45 21 24 1 46 21 48 1 47 21 49 1 48 22 23 1 49 22 50 1 50 22 51 1 51 23 25 1 52 23 52 1 53 23 53 1 54 24 27 1 55 24 54 1 56 24 55 1 57 25 26 1 58 25 56 1 59 25 57 1 60 26 28 1 61 26 59 1 62 26 60 1 63 28 61 1 64 28 62 1 65 28 63 1