@MOLECULE 6-[[(2s)-3-cyclopentyl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoyl]amino]pyridine-3-carboxylic acid 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.9043 1.8786 -0.7913 C.3 1 UNL1111111111 -0.3184 2 C 3.3145 4.7805 -0.4808 C.3 1 UNL1111111111 -0.2625 3 C 2.4775 3.7990 -1.3220 C.3 1 UNL1111111111 -0.2759 4 C 2.1752 3.1803 1.0191 C.3 1 UNL1111111111 -0.2796 5 C -3.5452 -0.8459 -0.7148 C.ar 1 UNL1111111111 -0.3060 6 C 2.7558 -0.6857 0.6537 C.ar 1 UNL1111111111 -0.0635 7 C 3.1998 4.3282 0.9890 C.3 1 UNL1111111111 -0.2608 8 C -7.2067 -0.7158 0.0454 C.2 1 UNL1111111111 0.6602 9 C -5.2309 0.4234 1.0806 C.ar 1 UNL1111111111 0.1754 10 N 1.7047 -0.3977 -0.2115 N.ar 1 UNL1111111111 -0.2742 11 C 0.6839 0.6030 0.0478 C.3 1 UNL1111111111 -0.0102 12 C -0.6913 0.0256 -0.3513 C.2 1 UNL1111111111 0.5493 13 C 2.2036 2.5900 -0.4042 C.3 1 UNL1111111111 -0.0962 14 N -1.7408 0.4063 0.4790 N.am 1 UNL1111111111 -0.5487 15 O -0.8425 -0.6693 -1.3244 O.2 1 UNL1111111111 -0.4621 16 C -3.0847 0.0469 0.2690 C.ar 1 UNL1111111111 0.4115 17 C -4.9109 -1.0907 -0.7782 C.ar 1 UNL1111111111 0.0256 18 C -5.7713 -0.4531 0.1222 C.ar 1 UNL1111111111 -0.2915 19 N -3.9180 0.6698 1.1549 N.ar 1 UNL1111111111 -0.4768 20 O -7.7926 -1.4254 -0.7313 O.2 1 UNL1111111111 -0.4914 21 O -7.8861 -0.0328 1.0080 O.3 1 UNL1111111111 -0.5657 22 C 3.5578 -1.6006 -0.0278 C.ar 1 UNL1111111111 -0.0894 23 N 3.0190 -1.8637 -1.2825 N.ar 1 UNL1111111111 -0.3207 24 C 1.9083 -1.1318 -1.3944 C.ar 1 UNL1111111111 0.1220 25 C 4.8073 -2.2588 0.4272 C.3 1 UNL1111111111 0.5798 26 F 4.6607 -3.5409 0.7583 F 1 UNL1111111111 -0.1886 27 F 5.8047 -2.2404 -0.4531 F 1 UNL1111111111 -0.1783 28 F 5.3225 -1.6928 1.5236 F 1 UNL1111111111 -0.2148 29 H 0.9291 1.6231 -1.8721 H 1 UNL1111111111 0.1709 30 H 0.0420 2.5640 -0.6678 H 1 UNL1111111111 0.1625 31 H 4.3679 4.7805 -0.8069 H 1 UNL1111111111 0.1389 32 H 2.9552 5.8139 -0.6087 H 1 UNL1111111111 0.1341 33 H 1.5372 4.2755 -1.6459 H 1 UNL1111111111 0.1378 34 H 3.0046 3.4969 -2.2403 H 1 UNL1111111111 0.1399 35 H 2.4306 2.4325 1.7837 H 1 UNL1111111111 0.1286 36 H 1.1734 3.5676 1.2681 H 1 UNL1111111111 0.1363 37 H -2.8603 -1.3387 -1.4083 H 1 UNL1111111111 0.2168 38 H 2.8561 -0.2547 1.6299 H 1 UNL1111111111 0.1879 39 H 4.1789 3.9848 1.3653 H 1 UNL1111111111 0.1390 40 H 2.8928 5.1579 1.6438 H 1 UNL1111111111 0.1330 41 H -5.8654 0.9480 1.8141 H 1 UNL1111111111 0.1980 42 H 0.7089 0.8639 1.1426 H 1 UNL1111111111 0.1745 43 H 3.0589 1.8769 -0.4872 H 1 UNL1111111111 0.1494 44 H -1.5736 1.0199 1.2825 H 1 UNL1111111111 0.3382 45 H -5.3190 -1.7806 -1.5277 H 1 UNL1111111111 0.1859 46 H -8.8620 -0.1977 0.9862 H 1 UNL1111111111 0.3623 47 H 1.2312 -1.1109 -2.2381 H 1 UNL1111111111 0.2173 @BOND 1 1 11 1 2 1 29 1 3 1 30 1 4 2 7 1 5 2 31 1 6 2 32 1 7 3 13 1 8 3 2 1 9 3 33 1 10 3 34 1 11 4 35 1 12 4 36 1 13 5 17 ar 14 5 16 ar 15 5 37 1 16 6 10 ar 17 6 38 1 18 7 4 1 19 7 39 1 20 7 40 1 21 8 21 1 22 9 41 1 23 10 24 ar 24 10 11 1 25 11 42 1 26 12 11 1 27 12 14 am 28 13 1 1 29 13 4 1 30 13 43 1 31 14 16 1 32 14 44 1 33 15 12 2 34 16 19 ar 35 17 18 ar 36 17 45 1 37 18 8 1 38 18 9 ar 39 19 9 ar 40 20 8 2 41 21 46 1 42 22 6 ar 43 22 23 ar 44 23 24 ar 45 24 47 1 46 25 22 1 47 26 25 1 48 27 25 1 49 28 25 1