@MOLECULE isopropyl (5e)-7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-{(1e,3r)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl}cyclopentyl]-5-heptenoate 63 64 0 0 0 SMALL GASTEIGER @ATOM 1 F -3.2350 4.4688 0.6148 F 1 UNL111111 -0.1926 2 F -1.7299 3.0547 1.0514 F 1 UNL111111 -0.1942 3 F -2.0147 3.7097 -0.9307 F 1 UNL111111 -0.1939 4 O 2.3830 -1.2755 2.2181 O.3 1 UNL111111 -0.5513 5 O 1.0577 -4.5974 1.7855 O.3 1 UNL111111 -0.5745 6 O -3.8311 -4.6851 -0.4741 O.3 1 UNL111111 -0.5580 7 O -3.6780 -1.2005 -1.1277 O.3 1 UNL111111 -0.3339 8 O 5.1147 0.2742 -0.5797 O.3 1 UNL111111 -0.4540 9 O 5.1330 2.4156 -1.2009 O.2 1 UNL111111 -0.5391 10 C 1.1199 -1.4921 0.1314 C.3 1 UNL111111 -0.1595 11 C 0.3221 -2.7474 0.5501 C.3 1 UNL111111 -0.1732 12 C 2.4720 -1.6685 0.8717 C.3 1 UNL111111 0.1599 13 C 1.3912 -3.8706 0.6182 C.3 1 UNL111111 0.1586 14 C 2.7612 -3.1810 0.7781 C.3 1 UNL111111 -0.4112 15 C 0.4022 -0.1949 0.4994 C.3 1 UNL111111 -0.2681 16 C -0.7972 -3.0710 -0.3800 C.2 1 UNL111111 -0.1036 17 C 1.1988 0.9828 0.0341 C.2 1 UNL111111 -0.1789 18 C -2.0622 -3.1287 0.0466 C.2 1 UNL111111 -0.2467 19 C -3.2131 -3.4670 -0.8462 C.3 1 UNL111111 0.1449 20 C 1.6249 1.9176 0.8876 C.2 1 UNL111111 -0.1384 21 C 2.4645 3.0806 0.4747 C.3 1 UNL111111 -0.2887 22 C -4.3373 -2.4065 -0.7371 C.3 1 UNL111111 -0.0871 23 C 3.7824 3.1118 1.2670 C.3 1 UNL111111 -0.2331 24 C 4.5878 1.8169 1.1044 C.3 1 UNL111111 -0.3561 25 C -4.2059 -0.0436 -0.6501 C.ar 1 UNL111111 0.1910 26 C 4.9578 1.6003 -0.3281 C.2 1 UNL111111 0.6178 27 C -3.2420 0.9719 -0.5104 C.ar 1 UNL111111 -0.1502 28 C -5.5667 0.1532 -0.3839 C.ar 1 UNL111111 -0.2052 29 C 5.3623 -0.1035 -1.9673 C.3 1 UNL111111 -0.3912 30 C -3.6501 2.2263 -0.0519 C.ar 1 UNL111111 -0.1444 31 C -5.9850 1.4128 0.0647 C.ar 1 UNL111111 -0.1561 32 C -4.9882 2.3303 0.1944 C.ar 1 UNL111111 0.0346 33 C 4.1253 -0.0357 -2.7215 C.3 1 UNL111111 0.2185 34 C 5.9588 -1.4183 -1.9179 C.3 1 UNL111111 0.2195 35 C -2.6812 3.3422 0.1635 C.3 1 UNL111111 0.5637 36 H 1.3066 -1.5071 -0.9655 H 1 UNL111111 0.1480 37 H -0.0742 -2.6000 1.5898 H 1 UNL111111 0.1706 38 H 3.2781 -1.0207 0.4796 H 1 UNL111111 0.1520 39 H 1.3561 -4.5576 -0.2484 H 1 UNL111111 0.1158 40 H 3.2828 -3.5277 1.6884 H 1 UNL111111 0.1728 41 H 3.4338 -3.4052 -0.0622 H 1 UNL111111 0.1534 42 H -0.6074 -0.1836 0.0376 H 1 UNL111111 0.1452 43 H 0.2301 -0.1520 1.5946 H 1 UNL111111 0.1548 44 H -0.5178 -3.2500 -1.4177 H 1 UNL111111 0.1483 45 H 1.7624 -1.8553 2.7062 H 1 UNL111111 0.3218 46 H 1.6759 -5.3343 1.9337 H 1 UNL111111 0.3188 47 H 1.4124 1.0129 -1.0303 H 1 UNL111111 0.1463 48 H -2.3324 -2.9338 1.0842 H 1 UNL111111 0.1594 49 H -2.9205 -3.6216 -1.9097 H 1 UNL111111 0.1474 50 H 1.3950 1.8736 1.9522 H 1 UNL111111 0.1500 51 H 1.9053 4.0255 0.6442 H 1 UNL111111 0.1546 52 H 2.6808 3.0678 -0.6104 H 1 UNL111111 0.1558 53 H -5.1552 -2.6047 -1.4493 H 1 UNL111111 0.1414 54 H -4.7375 -2.3449 0.2863 H 1 UNL111111 0.1389 55 H 3.5736 3.2758 2.3432 H 1 UNL111111 0.1468 56 H 4.3959 3.9703 0.9340 H 1 UNL111111 0.1527 57 H -3.4459 -5.0434 0.3519 H 1 UNL111111 0.3279 58 H 4.0019 0.9489 1.4954 H 1 UNL111111 0.1990 59 H 5.5101 1.8485 1.7226 H 1 UNL111111 0.1769 60 H -2.2011 0.7659 -0.7592 H 1 UNL111111 0.1902 61 H -6.2921 -0.6436 -0.5248 H 1 UNL111111 0.1703 62 H 6.1009 0.6482 -2.4027 H 1 UNL111111 0.2364 63 H -7.0268 1.6314 0.2802 H 1 UNL111111 0.1794 @BOND 1 62 29 1 2 33 29 1 3 34 29 1 4 29 8 1 5 9 26 2 6 8 26 1 7 26 24 1 8 44 16 1 9 36 10 1 10 47 17 1 11 49 19 1 12 52 21 1 13 41 14 1 14 39 13 1 15 16 11 1 16 16 18 2 17 38 12 1 18 7 22 1 19 7 25 1 20 53 22 1 21 3 35 1 22 17 15 1 23 17 20 2 24 10 12 1 25 10 15 1 26 10 11 1 27 19 22 1 28 19 6 1 29 19 18 1 30 60 27 1 31 14 13 1 32 14 12 1 33 14 40 1 34 21 51 1 35 21 23 1 36 21 20 1 37 24 59 1 38 24 23 1 39 24 58 1 40 56 23 1 41 42 15 1 42 13 11 1 43 13 5 1 44 12 4 1 45 22 54 1 46 27 25 ar 47 27 30 ar 48 15 43 1 49 11 37 1 50 25 28 ar 51 6 57 1 52 18 48 1 53 23 55 1 54 20 50 1 55 30 35 1 56 30 32 ar 57 35 1 1 58 35 2 1 59 28 61 1 60 28 31 ar 61 46 5 1 62 32 31 ar 63 31 63 1 64 4 45 1