@MOLECULE (5z)-7-[(1s,2s,3s,5r)-3,5-dihydroxy-2-{(1e,3s)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl}cyclopentyl]-5-heptenoic acid 61 62 0 0 0 SMALL GASTEIGER @ATOM 1 F 5.0923 -1.8054 -1.1507 F 1 UNL1111 -0.2012 2 F 4.1482 -1.7911 0.7336 F 1 UNL1111 -0.2068 3 F 3.0424 -2.2287 -1.0065 F 1 UNL1111 -0.1959 4 O -3.7758 -2.5285 -2.1342 O.3 1 UNL1111 -0.5580 5 O -4.4436 0.5453 -2.4076 O.3 1 UNL1111 -0.5808 6 O -1.6912 4.6327 0.1933 O.3 1 UNL1111 -0.5496 7 O 0.7440 2.1011 -0.4068 O.3 1 UNL1111 -0.3234 8 O -2.1174 0.2126 2.5739 O.3 1 UNL1111 -0.5610 9 O -0.4262 1.5927 2.9885 O.2 1 UNL1111 -0.5403 10 C -2.3735 -1.3551 -0.5136 C.3 1 UNL1111 -0.1732 11 C -2.5802 0.0723 -1.0765 C.3 1 UNL1111 -0.1639 12 C -3.7098 -2.0796 -0.8039 C.3 1 UNL1111 0.1681 13 C -4.1131 0.3124 -1.0475 C.3 1 UNL1111 0.1644 14 C -4.7753 -0.9907 -0.5643 C.3 1 UNL1111 -0.4106 15 C -1.1620 -2.0541 -1.1325 C.3 1 UNL1111 -0.2772 16 C -1.7918 1.0872 -0.3255 C.2 1 UNL1111 -0.1701 17 C -0.7736 -3.2655 -0.3456 C.2 1 UNL1111 -0.1419 18 C -1.9617 2.4071 -0.4347 C.2 1 UNL1111 -0.1888 19 C -1.0750 3.3617 0.3022 C.3 1 UNL1111 0.1266 20 C -0.1605 -3.2591 0.8418 C.2 1 UNL1111 -0.1783 21 C 0.2286 -2.0399 1.6135 C.3 1 UNL1111 -0.2706 22 C 0.3124 3.4616 -0.3832 C.3 1 UNL1111 -0.0926 23 C -0.5371 -2.0091 2.9461 C.3 1 UNL1111 -0.2439 24 C -0.2685 -0.7161 3.7216 C.3 1 UNL1111 -0.3473 25 C 2.0573 1.8414 -0.5971 C.ar 1 UNL1111 0.2587 26 C -0.8849 0.4815 3.0745 C.2 1 UNL1111 0.6601 27 C 2.3467 0.4692 -0.4914 C.ar 1 UNL1111 -0.2095 28 C 3.0518 2.7772 -0.8813 C.ar 1 UNL1111 -0.2645 29 C 3.6589 0.0565 -0.6690 C.ar 1 UNL1111 -0.0578 30 C 4.3607 2.3295 -1.0487 C.ar 1 UNL1111 -0.0801 31 C 4.6740 0.9759 -0.9387 C.ar 1 UNL1111 -0.1785 32 C 3.9802 -1.4077 -0.5340 C.3 1 UNL1111 0.5427 33 H -2.2435 -1.3036 0.5961 H 1 UNL1111 0.1611 34 H -2.2526 0.1021 -2.1539 H 1 UNL1111 0.1870 35 H -3.8502 -3.0043 -0.2158 H 1 UNL1111 0.1385 36 H -4.4110 1.1980 -0.4565 H 1 UNL1111 0.1188 37 H -5.6990 -1.2168 -1.1211 H 1 UNL1111 0.1642 38 H -5.0550 -0.9353 0.4983 H 1 UNL1111 0.1551 39 H -1.3889 -2.3369 -2.1840 H 1 UNL1111 0.1625 40 H -0.3093 -1.3465 -1.2001 H 1 UNL1111 0.1492 41 H -0.9950 0.6733 0.3009 H 1 UNL1111 0.1596 42 H -3.8061 -1.7581 -2.7471 H 1 UNL1111 0.3320 43 H -5.3952 0.7215 -2.5181 H 1 UNL1111 0.3187 44 H -1.0319 -4.2097 -0.8285 H 1 UNL1111 0.1457 45 H -2.7184 2.8729 -1.0664 H 1 UNL1111 0.1774 46 H -0.9628 3.0913 1.3797 H 1 UNL1111 0.1548 47 H 0.0992 -4.1958 1.3357 H 1 UNL1111 0.1392 48 H 0.0279 -1.1122 1.0417 H 1 UNL1111 0.1455 49 H 1.3228 -2.0458 1.7994 H 1 UNL1111 0.1498 50 H 0.2310 3.8238 -1.4220 H 1 UNL1111 0.1503 51 H 1.0001 4.0949 0.1957 H 1 UNL1111 0.1290 52 H -0.2491 -2.8812 3.5646 H 1 UNL1111 0.1413 53 H -1.6247 -2.1241 2.7570 H 1 UNL1111 0.1608 54 H -1.3516 5.2430 0.8755 H 1 UNL1111 0.3165 55 H -0.6644 -0.8044 4.7576 H 1 UNL1111 0.1747 56 H 0.8271 -0.5476 3.8331 H 1 UNL1111 0.1831 57 H 1.5374 -0.2271 -0.2718 H 1 UNL1111 0.1836 58 H 2.8228 3.8339 -0.9764 H 1 UNL1111 0.1646 59 H 5.1507 3.0484 -1.2694 H 1 UNL1111 0.1542 60 H 5.7076 0.6567 -1.0637 H 1 UNL1111 0.1697 61 H -2.5268 0.9786 2.0934 H 1 UNL1111 0.3584 @BOND 1 1 32 1 2 2 32 1 3 3 32 1 4 4 12 1 5 4 42 1 6 5 13 1 7 5 43 1 8 6 19 1 9 6 54 1 10 7 22 1 11 7 25 1 12 8 26 1 13 8 61 1 14 9 26 2 15 10 11 1 16 10 12 1 17 10 15 1 18 10 33 1 19 11 13 1 20 11 16 1 21 11 34 1 22 12 14 1 23 12 35 1 24 13 14 1 25 13 36 1 26 14 37 1 27 14 38 1 28 15 17 1 29 15 39 1 30 15 40 1 31 16 18 2 32 16 41 1 33 17 20 2 34 17 44 1 35 18 19 1 36 18 45 1 37 19 22 1 38 19 46 1 39 20 21 1 40 20 47 1 41 21 23 1 42 21 48 1 43 21 49 1 44 22 50 1 45 22 51 1 46 23 24 1 47 23 52 1 48 23 53 1 49 24 26 1 50 24 55 1 51 24 56 1 52 25 27 ar 53 25 28 ar 54 27 29 ar 55 27 57 1 56 28 30 ar 57 28 58 1 58 29 31 ar 59 29 32 1 60 30 31 ar 61 30 59 1 62 31 60 1