@MOLECULE (2S)-2-[3-chloro-4-(2,2,2-trifluoroethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]-3-cyclobutyl-propanoic acid 51 53 0 0 0 SMALL GASTEIGER @ATOM 1 CL 1.6509 3.4998 -0.0818 Cl 1 UNL111111111 -0.0228 2 F -5.1891 -3.5903 0.5723 F 1 UNL111111111 -0.2035 3 F -5.9524 -1.6730 0.1666 F 1 UNL111111111 -0.1995 4 F -5.4650 -2.9754 -1.4198 F 1 UNL111111111 -0.2002 5 F -1.3148 4.6252 0.3345 F 1 UNL111111111 -0.1817 6 F -2.6622 4.0764 1.8709 F 1 UNL111111111 -0.2017 7 F -2.9855 3.4109 -0.1126 F 1 UNL111111111 -0.1851 8 O 4.8224 -1.4882 -2.9270 O.3 1 UNL111111111 -0.5549 9 O 5.2194 0.5050 -2.0090 O.2 1 UNL111111111 -0.4977 10 O -0.8329 1.9425 -0.2382 O.3 1 UNL111111111 -0.3061 11 C 3.9237 -1.7688 1.6281 C.3 1 UNL111111111 -0.1006 12 C 4.7172 -1.8491 2.9656 C.3 1 UNL111111111 -0.2896 13 C 3.8139 -3.3226 1.6097 C.3 1 UNL111111111 -0.2897 14 C 4.5722 -3.3929 2.9608 C.3 1 UNL111111111 -0.2737 15 C 4.7023 -1.1528 0.4763 C.3 1 UNL111111111 -0.2765 16 C 3.8595 -1.1435 -0.8140 C.3 1 UNL111111111 -0.1894 17 C 2.6233 -0.3063 -0.6450 C.ar 1 UNL111111111 0.0014 18 C 4.6982 -0.5747 -1.9332 C.2 1 UNL111111111 0.6349 19 C 1.3751 -0.9319 -0.6306 C.ar 1 UNL111111111 -0.1525 20 C 2.7244 1.0782 -0.4738 C.ar 1 UNL111111111 -0.1483 21 C 0.2095 -0.1882 -0.4384 C.ar 1 UNL111111111 -0.0528 22 C 1.5668 1.8179 -0.2879 C.ar 1 UNL111111111 -0.0437 23 C 0.3194 1.1978 -0.2759 C.ar 1 UNL111111111 0.1453 24 C -1.1105 -0.8212 -0.4057 C.ar 1 UNL111111111 0.0278 25 C -1.3419 -1.9195 0.4275 C.ar 1 UNL111111111 -0.1711 26 C -2.1475 -0.3061 -1.1899 C.ar 1 UNL111111111 -0.1401 27 C -2.6097 -2.4924 0.4897 C.ar 1 UNL111111111 -0.0935 28 C -3.4150 -0.8763 -1.1278 C.ar 1 UNL111111111 -0.0858 29 C -1.2050 2.3429 1.0784 C.3 1 UNL111111111 -0.1229 30 C -3.6417 -1.9655 -0.2844 C.ar 1 UNL111111111 -0.1385 31 C -5.0257 -2.5440 -0.2364 C.3 1 UNL111111111 0.5462 32 C -2.0336 3.6073 0.7938 C.3 1 UNL111111111 0.5258 33 H 2.9436 -1.2758 1.7505 H 1 UNL111111111 0.1408 34 H 5.7477 -1.4924 2.9102 H 1 UNL111111111 0.1433 35 H 4.2327 -1.3476 3.8057 H 1 UNL111111111 0.1391 36 H 4.3310 -3.8078 0.7791 H 1 UNL111111111 0.1420 37 H 2.7916 -3.7032 1.6425 H 1 UNL111111111 0.1368 38 H 5.5184 -3.9371 2.9231 H 1 UNL111111111 0.1396 39 H 3.9852 -3.7949 3.7894 H 1 UNL111111111 0.1373 40 H 5.0096 -0.1189 0.7397 H 1 UNL111111111 0.1617 41 H 5.6457 -1.7097 0.3072 H 1 UNL111111111 0.1550 42 H 3.5816 -2.2056 -1.0648 H 1 UNL111111111 0.1910 43 H 1.3008 -2.0113 -0.7771 H 1 UNL111111111 0.1719 44 H 3.7046 1.5677 -0.5008 H 1 UNL111111111 0.2004 45 H 5.3489 -1.1679 -3.7021 H 1 UNL111111111 0.3581 46 H -0.5338 -2.3219 1.0366 H 1 UNL111111111 0.1613 47 H -1.9643 0.5497 -1.8448 H 1 UNL111111111 0.1811 48 H -2.7730 -3.3462 1.1493 H 1 UNL111111111 0.1675 49 H -4.2219 -0.4613 -1.7371 H 1 UNL111111111 0.1740 50 H -0.3382 2.5505 1.7325 H 1 UNL111111111 0.1699 51 H -1.8174 1.5305 1.5221 H 1 UNL111111111 0.1696 @BOND 1 1 22 1 2 2 31 1 3 3 31 1 4 4 31 1 5 5 32 1 6 6 32 1 7 7 32 1 8 8 18 1 9 8 45 1 10 9 18 2 11 10 23 1 12 10 29 1 13 11 12 1 14 11 13 1 15 11 15 1 16 11 33 1 17 12 14 1 18 12 34 1 19 12 35 1 20 13 14 1 21 13 36 1 22 13 37 1 23 14 38 1 24 14 39 1 25 15 16 1 26 15 40 1 27 15 41 1 28 16 17 1 29 16 18 1 30 16 42 1 31 17 19 ar 32 17 20 ar 33 19 21 ar 34 19 43 1 35 20 22 ar 36 20 44 1 37 21 23 ar 38 21 24 1 39 22 23 ar 40 24 25 ar 41 24 26 ar 42 25 27 ar 43 25 46 1 44 26 28 ar 45 26 47 1 46 27 30 ar 47 27 48 1 48 28 30 ar 49 28 49 1 50 29 32 1 51 29 50 1 52 29 51 1 53 30 31 1