@MOLECULE isopropyl (5z)-7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-{(1e,3s)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl}cyclopentyl]-5-heptenoate 63 64 0 0 0 SMALL GASTEIGER @ATOM 1 F -4.7293 1.4314 -0.9853 F 1 UNL111111 -0.2053 2 F -4.3021 -0.6246 -1.0723 F 1 UNL111111 -0.1905 3 F -5.6980 0.0999 0.3298 F 1 UNL111111 -0.2035 4 O 4.3678 2.7638 -0.0954 O.3 1 UNL111111 -0.5604 5 O 5.7443 0.1915 0.9067 O.3 1 UNL111111 -0.5864 6 O 1.2610 -3.5942 1.0786 O.3 1 UNL111111 -0.5889 7 O -0.8326 -1.2077 2.7122 O.3 1 UNL111111 -0.3325 8 O 0.1819 -1.2831 -2.5650 O.3 1 UNL111111 -0.4435 9 O -1.5069 -1.2602 -1.0961 O.2 1 UNL111111 -0.5747 10 C 2.6355 1.0440 -0.0131 C.3 1 UNL111111 -0.1607 11 C 3.4220 -0.0332 0.7775 C.3 1 UNL111111 -0.1695 12 C 3.7158 1.7749 -0.8516 C.3 1 UNL111111 0.1768 13 C 4.7457 -0.2553 -0.0003 C.3 1 UNL111111 0.1640 14 C 4.7125 0.6630 -1.2321 C.3 1 UNL111111 -0.4070 15 C 1.8613 1.9888 0.9108 C.3 1 UNL111111 -0.2729 16 C 2.6273 -1.2858 0.9234 C.2 1 UNL111111 -0.1396 17 C 1.3468 3.1706 0.1520 C.2 1 UNL111111 -0.1441 18 C 1.7592 -1.4498 1.9234 C.2 1 UNL111111 -0.2031 19 C 0.9175 -2.6699 2.1039 C.3 1 UNL111111 0.1414 20 C 0.2838 3.1821 -0.6554 C.2 1 UNL111111 -0.1750 21 C -0.5877 2.0108 -0.9645 C.3 1 UNL111111 -0.2817 22 C -0.5738 -2.3328 1.8768 C.3 1 UNL111111 -0.1133 23 C -0.4063 1.6126 -2.4367 C.3 1 UNL111111 -0.2439 24 C -1.3367 0.4576 -2.8212 C.3 1 UNL111111 -0.3516 25 C -1.6265 -0.2353 2.1774 C.ar 1 UNL111111 0.1757 26 C -0.9516 -0.7698 -2.0503 C.2 1 UNL111111 0.6325 27 C -2.6384 -0.5060 1.2498 C.ar 1 UNL111111 -0.1448 28 C -1.3773 1.0436 2.7102 C.ar 1 UNL111111 -0.1574 29 C 0.7321 -2.5018 -1.9694 C.3 1 UNL111111 -0.3939 30 C -3.4242 0.5645 0.8007 C.ar 1 UNL111111 -0.1443 31 C -2.1763 2.1092 2.2835 C.ar 1 UNL111111 -0.1669 32 C -3.1218 1.7690 1.3618 C.ar 1 UNL111111 0.0323 33 C -0.0614 -3.6493 -2.3413 C.3 1 UNL111111 0.2213 34 C 2.1112 -2.5403 -2.3988 C.3 1 UNL111111 0.2246 35 C -4.5075 0.3699 -0.2096 C.3 1 UNL111111 0.5702 36 H 1.9205 0.5556 -0.7126 H 1 UNL111111 0.1451 37 H 3.6938 0.3667 1.7912 H 1 UNL111111 0.1800 38 H 3.3013 2.3394 -1.7071 H 1 UNL111111 0.1411 39 H 4.9472 -1.3137 -0.2442 H 1 UNL111111 0.1206 40 H 4.3820 0.1210 -2.1323 H 1 UNL111111 0.1618 41 H 5.7032 1.0839 -1.4647 H 1 UNL111111 0.1617 42 H 1.0307 1.4359 1.3979 H 1 UNL111111 0.1463 43 H 2.5189 2.3335 1.7370 H 1 UNL111111 0.1506 44 H 2.8001 -2.0568 0.1736 H 1 UNL111111 0.1507 45 H 4.8793 2.3440 0.6339 H 1 UNL111111 0.3325 46 H 6.6355 0.0979 0.5260 H 1 UNL111111 0.3186 47 H 1.9449 4.0745 0.2947 H 1 UNL111111 0.1524 48 H 1.5901 -0.6871 2.6870 H 1 UNL111111 0.1710 49 H 1.0958 -3.1375 3.0988 H 1 UNL111111 0.1366 50 H -0.0137 4.0995 -1.1653 H 1 UNL111111 0.1414 51 H -1.6510 2.2684 -0.7671 H 1 UNL111111 0.1581 52 H -0.3742 1.1474 -0.3033 H 1 UNL111111 0.1469 53 H -0.7484 -2.1234 0.8032 H 1 UNL111111 0.1668 54 H -1.2427 -3.1435 2.2058 H 1 UNL111111 0.1396 55 H 0.6492 1.3330 -2.6272 H 1 UNL111111 0.1490 56 H -0.6056 2.4842 -3.0918 H 1 UNL111111 0.1520 57 H 0.9912 -4.4999 1.3215 H 1 UNL111111 0.3283 58 H -1.2690 0.2587 -3.9122 H 1 UNL111111 0.1747 59 H -2.3975 0.7230 -2.6312 H 1 UNL111111 0.1873 60 H -2.8008 -1.5170 0.8794 H 1 UNL111111 0.1932 61 H -0.5838 1.1879 3.4416 H 1 UNL111111 0.1754 62 H 0.6997 -2.3857 -0.8321 H 1 UNL111111 0.2534 63 H -2.0461 3.1217 2.6534 H 1 UNL111111 0.1810 @BOND 1 41 14 1 2 40 14 1 3 14 12 1 4 14 13 1 5 46 5 1 6 38 12 1 7 4 12 1 8 4 45 1 9 12 10 1 10 39 13 1 11 5 13 1 12 13 11 1 13 34 29 1 14 55 23 1 15 56 23 1 16 58 24 1 17 10 36 1 18 10 11 1 19 10 15 1 20 23 24 1 21 23 21 1 22 8 29 1 23 8 26 1 24 47 17 1 25 11 37 1 26 11 16 1 27 50 20 1 28 29 33 1 29 29 62 1 30 24 26 1 31 24 59 1 32 44 16 1 33 17 20 2 34 17 15 1 35 20 21 1 36 15 43 1 37 15 42 1 38 26 9 2 39 16 18 2 40 21 52 1 41 21 51 1 42 18 48 1 43 18 19 1 44 6 57 1 45 6 19 1 46 53 22 1 47 19 49 1 48 19 22 1 49 2 35 1 50 1 35 1 51 22 7 1 52 22 54 1 53 35 30 1 54 35 3 1 55 60 27 1 56 27 30 ar 57 27 25 ar 58 30 32 ar 59 25 28 ar 60 25 7 1 61 28 61 1 62 28 31 ar 63 32 31 ar 64 31 63 1