@MOLECULE trans-4-(3-chloro-2-fluorophenoxy)-1-{[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl}cyclohexanecarboxylic acid 52 55 0 0 0 SMALL GASTEIGER @ATOM 1 CL -7.7958 0.1432 -1.7580 Cl 1 UNL1111111111 -0.0368 2 S 6.7079 -0.8789 0.3969 S.2 1 UNL1111111111 0.2306 3 F -4.9006 -0.3370 -1.7813 F 1 UNL1111111111 -0.1109 4 O -3.3735 -0.9685 0.2538 O.3 1 UNL1111111111 -0.3433 5 O 1.8989 -1.4611 -0.1245 O.3 1 UNL1111111111 -0.5574 6 O 1.0547 0.1828 -1.3771 O.2 1 UNL1111111111 -0.5133 7 N 3.6397 0.8905 0.2658 N.ar 1 UNL1111111111 -0.4756 8 N 5.3430 0.7808 -1.3624 N.pl3 1 UNL1111111111 -0.4867 9 N 4.9991 -1.6248 -1.4327 N.ar 1 UNL1111111111 -0.4247 10 C 0.6167 0.1603 1.0306 C.3 1 UNL1111111111 0.0044 11 C -0.4224 1.2677 0.7747 C.3 1 UNL1111111111 -0.2743 12 C -0.0088 -1.0084 1.8170 C.3 1 UNL1111111111 -0.2655 13 C -1.6948 0.7294 0.1196 C.3 1 UNL1111111111 -0.3126 14 C -1.2755 -1.5358 1.1374 C.3 1 UNL1111111111 -0.3034 15 C -2.2787 -0.3886 0.9860 C.3 1 UNL1111111111 0.1222 16 C 1.8204 0.7270 1.8309 C.3 1 UNL1111111111 -0.3122 17 C 1.1718 -0.3349 -0.2975 C.2 1 UNL1111111111 0.6358 18 C 2.6991 1.5722 0.9524 C.ar 1 UNL1111111111 0.2441 19 C -4.6166 -0.5183 0.5418 C.ar 1 UNL1111111111 0.2022 20 C 2.5241 2.9534 0.7960 C.ar 1 UNL1111111111 -0.3004 21 C 3.3179 3.6263 -0.1341 C.ar 1 UNL1111111111 -0.0223 22 C 4.3820 1.5494 -0.6507 C.ar 1 UNL1111111111 0.3718 23 C -5.4383 -0.2901 -0.5775 C.ar 1 UNL1111111111 0.0667 24 C -5.1513 -0.4075 1.8255 C.ar 1 UNL1111111111 -0.2520 25 C 4.2556 2.9310 -0.8901 C.ar 1 UNL1111111111 -0.2940 26 C -6.7886 -0.0270 -0.3988 C.ar 1 UNL1111111111 -0.0105 27 C -6.5012 -0.0962 1.9826 C.ar 1 UNL1111111111 -0.0971 28 C -7.3316 0.0827 0.8768 C.ar 1 UNL1111111111 -0.1952 29 C 5.5396 -0.5387 -0.9134 C.ar 1 UNL1111111111 0.2426 30 C 6.4230 -2.5761 0.1621 C.ar 1 UNL1111111111 -0.3549 31 C 5.5065 -2.7797 -0.8337 C.ar 1 UNL1111111111 0.0165 32 H 0.0219 2.0481 0.1198 H 1 UNL1111111111 0.1628 33 H -0.6708 1.7714 1.7274 H 1 UNL1111111111 0.1384 34 H -0.2400 -0.6795 2.8475 H 1 UNL1111111111 0.1382 35 H 0.7289 -1.8330 1.9160 H 1 UNL1111111111 0.1672 36 H -2.4330 1.5380 -0.0291 H 1 UNL1111111111 0.1490 37 H -1.4756 0.3476 -0.9015 H 1 UNL1111111111 0.1837 38 H -1.0376 -1.9677 0.1419 H 1 UNL1111111111 0.1731 39 H -1.7168 -2.3680 1.7153 H 1 UNL1111111111 0.1491 40 H -2.6213 -0.0119 1.9707 H 1 UNL1111111111 0.1178 41 H 1.4619 1.2990 2.7065 H 1 UNL1111111111 0.1601 42 H 2.4160 -0.1255 2.2397 H 1 UNL1111111111 0.1892 43 H 2.5616 -1.6147 -0.8548 H 1 UNL1111111111 0.3774 44 H 1.7781 3.4845 1.3766 H 1 UNL1111111111 0.1696 45 H 3.1962 4.7014 -0.2767 H 1 UNL1111111111 0.1571 46 H -4.5253 -0.5864 2.6961 H 1 UNL1111111111 0.1688 47 H 4.8742 3.4282 -1.6296 H 1 UNL1111111111 0.1809 48 H -6.9167 -0.0041 2.9866 H 1 UNL1111111111 0.1576 49 H 5.2663 0.8675 -2.3859 H 1 UNL1111111111 0.3226 50 H -8.3904 0.2995 1.0168 H 1 UNL1111111111 0.1753 51 H 6.9163 -3.3273 0.7499 H 1 UNL1111111111 0.1860 52 H 5.1325 -3.7304 -1.1979 H 1 UNL1111111111 0.1824 @BOND 1 1 26 1 2 2 29 ar 3 2 30 ar 4 3 23 1 5 4 15 1 6 4 19 1 7 5 17 1 8 5 43 1 9 6 17 2 10 7 18 ar 11 7 22 ar 12 8 22 1 13 8 29 1 14 8 49 1 15 9 29 ar 16 9 31 ar 17 10 11 1 18 10 12 1 19 10 16 1 20 10 17 1 21 11 13 1 22 11 32 1 23 11 33 1 24 12 14 1 25 12 34 1 26 12 35 1 27 13 15 1 28 13 36 1 29 13 37 1 30 14 15 1 31 14 38 1 32 14 39 1 33 15 40 1 34 16 18 1 35 16 41 1 36 16 42 1 37 18 20 ar 38 19 23 ar 39 19 24 ar 40 20 21 ar 41 20 44 1 42 21 25 ar 43 21 45 1 44 22 25 ar 45 23 26 ar 46 24 27 ar 47 24 46 1 48 25 47 1 49 26 28 ar 50 27 28 ar 51 27 48 1 52 28 50 1 53 30 31 ar 54 30 51 1 55 31 52 1