@MOLECULE 2-[({4-[2-(trifluoromethyl)phenyl]-1-piperidinyl}carbonyl)amino]benzoic acid 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 N 0.6387 -0.9403 1.6923 N.am 1 UNL1111111111 -0.4669 2 N 2.6402 -0.3632 0.5369 N.am 1 UNL1111111111 -0.5829 3 C -4.1637 0.4535 -0.5824 C.ar 1 UNL1111111111 -0.1721 4 C -4.8907 1.3994 -1.3140 C.ar 1 UNL1111111111 -0.0795 5 C -4.3012 2.5973 -1.7004 C.ar 1 UNL1111111111 -0.1776 6 C -1.9841 -0.2357 0.5864 C.3 1 UNL1111111111 -0.1209 7 C -0.8487 -0.7828 -0.3035 C.3 1 UNL1111111111 -0.3111 8 C -0.4415 -0.4468 2.5776 C.3 1 UNL1111111111 -0.0713 9 C 3.7909 0.3658 0.2347 C.ar 1 UNL1111111111 0.3317 10 C 4.7519 -0.2178 -0.6326 C.ar 1 UNL1111111111 -0.2974 11 C 4.0208 1.6663 0.7292 C.ar 1 UNL1111111111 -0.2740 12 C 4.5702 -1.5545 -1.1852 C.2 1 UNL1111111111 0.6840 13 O 5.6292 -1.9738 -1.9226 O.3 1 UNL1111111111 -0.5410 14 O 3.6125 -2.2941 -1.0628 O.2 1 UNL1111111111 -0.5799 15 C 5.9068 0.5052 -0.9711 C.ar 1 UNL1111111111 -0.0036 16 C 6.1192 1.7790 -0.4749 C.ar 1 UNL1111111111 -0.2552 17 C 5.1673 2.3547 0.3765 C.ar 1 UNL1111111111 -0.0258 18 C 1.6622 0.0124 1.4759 C.2 1 UNL1111111111 0.7050 19 O 1.7335 1.0359 2.1249 O.2 1 UNL1111111111 -0.5438 20 C -1.4129 0.4806 1.8277 C.3 1 UNL1111111111 -0.3157 21 C 0.0836 -1.6729 0.5367 C.3 1 UNL1111111111 -0.0806 22 C -2.8371 0.7111 -0.2179 C.ar 1 UNL1111111111 0.0621 23 C -2.2543 1.9191 -0.6281 C.ar 1 UNL1111111111 -0.1937 24 C -2.9741 2.8546 -1.3598 C.ar 1 UNL1111111111 -0.0886 25 C -4.8510 -0.8306 -0.2161 C.3 1 UNL1111111111 0.5569 26 F -4.2241 -1.9295 -0.6421 F 1 UNL1111111111 -0.2087 27 F -5.0123 -1.0117 1.0963 F 1 UNL1111111111 -0.2072 28 F -6.0854 -0.9830 -0.6987 F 1 UNL1111111111 -0.2042 29 H 2.5723 -1.3025 0.1084 H 1 UNL1111111111 0.3575 30 H -5.9304 1.2215 -1.5969 H 1 UNL1111111111 0.1671 31 H -4.8729 3.3295 -2.2678 H 1 UNL1111111111 0.1588 32 H -2.5620 -1.1116 0.9652 H 1 UNL1111111111 0.1590 33 H -1.2699 -1.3624 -1.1465 H 1 UNL1111111111 0.1587 34 H -0.2762 0.0435 -0.7639 H 1 UNL1111111111 0.1536 35 H -0.9699 -1.3367 2.9861 H 1 UNL1111111111 0.1484 36 H 0.0106 0.0866 3.4465 H 1 UNL1111111111 0.1659 37 H 3.2963 2.1381 1.3997 H 1 UNL1111111111 0.2079 38 H 5.4994 -2.8849 -2.2945 H 1 UNL1111111111 0.3599 39 H 6.6467 0.0502 -1.6378 H 1 UNL1111111111 0.1689 40 H 7.0158 2.3319 -0.7404 H 1 UNL1111111111 0.1595 41 H 5.3347 3.3603 0.7675 H 1 UNL1111111111 0.1506 42 H -0.8820 1.4114 1.5474 H 1 UNL1111111111 0.1620 43 H -2.2345 0.7953 2.4967 H 1 UNL1111111111 0.1531 44 H 0.8954 -2.0997 -0.0916 H 1 UNL1111111111 0.1508 45 H -0.4732 -2.5533 0.9380 H 1 UNL1111111111 0.1590 46 H -1.2152 2.1316 -0.3690 H 1 UNL1111111111 0.1666 47 H -2.5025 3.7886 -1.6664 H 1 UNL1111111111 0.1548 @BOND 1 1 8 1 2 2 18 am 3 2 29 1 4 3 25 1 5 4 3 ar 6 4 30 1 7 5 4 ar 8 5 31 1 9 6 20 1 10 6 32 1 11 7 6 1 12 7 21 1 13 7 33 1 14 7 34 1 15 8 35 1 16 8 36 1 17 9 2 1 18 9 11 ar 19 10 9 ar 20 11 37 1 21 12 10 1 22 12 13 1 23 13 38 1 24 14 12 2 25 15 10 ar 26 15 16 ar 27 15 39 1 28 16 17 ar 29 16 40 1 30 17 11 ar 31 17 41 1 32 18 1 am 33 18 19 2 34 20 8 1 35 20 42 1 36 20 43 1 37 21 1 1 38 21 44 1 39 21 45 1 40 22 3 ar 41 22 6 1 42 23 22 ar 43 23 46 1 44 24 5 ar 45 24 23 ar 46 24 47 1 47 25 28 1 48 25 27 1 49 26 25 1