@MOLECULE 4-{2-[3-(3-chlorophenyl)-1h-pyrazol-4-yl]-1-[3-(1h-imidazol-1-yl)propyl]-1h-benzimidazol-5-yl}benzoic acid 61 66 0 0 0 SMALL GASTEIGER @ATOM 1 N 4.4752 1.8563 -1.7337 N.ar 1 UNL111111111 -0.1833 2 N 4.6482 1.0447 -2.8058 N.ar 1 UNL111111111 -0.2259 3 C 3.5270 0.2978 -2.9201 C.ar 1 UNL111111111 -0.0420 4 C 2.6093 0.6372 -1.8758 C.ar 1 UNL111111111 -0.1927 5 C 3.2456 1.6491 -1.1312 C.ar 1 UNL111111111 0.0999 6 C 2.7929 2.3852 0.0349 C.ar 1 UNL111111111 -0.0125 7 C 2.8328 3.7831 0.0375 C.ar 1 UNL111111111 -0.1621 8 C 2.3656 4.4450 1.1639 C.ar 1 UNL111111111 0.0319 9 C 1.8567 3.7802 2.2728 C.ar 1 UNL111111111 -0.1535 10 C 1.8189 2.3865 2.2502 C.ar 1 UNL111111111 -0.1098 11 C 2.2868 1.6896 1.1378 C.ar 1 UNL111111111 -0.1184 12 C 1.2907 0.1256 -1.6383 C.ar 1 UNL111111111 0.3018 13 N 1.0036 -1.2573 -1.5315 N.ar 1 UNL111111111 -0.3453 14 C -0.3440 -1.3700 -1.1940 C.ar 1 UNL111111111 0.0671 15 C -0.8518 -0.0280 -1.1650 C.ar 1 UNL111111111 0.0604 16 N 0.1892 0.8613 -1.4452 N.ar 1 UNL111111111 -0.3870 17 C -1.1724 -2.4565 -0.9027 C.ar 1 UNL111111111 -0.1936 18 C -2.4897 -2.1799 -0.5907 C.ar 1 UNL111111111 -0.1248 19 C -3.0215 -0.8637 -0.5858 C.ar 1 UNL111111111 -0.0648 20 C -2.1966 0.2175 -0.8796 C.ar 1 UNL111111111 -0.0964 21 C -4.4433 -0.6533 -0.2713 C.ar 1 UNL111111111 0.0747 22 C -5.3380 -1.7344 -0.2398 C.ar 1 UNL111111111 -0.1980 23 C -6.6782 -1.5437 0.0729 C.ar 1 UNL111111111 -0.0696 24 C -7.1551 -0.2571 0.3355 C.ar 1 UNL111111111 -0.1641 25 C -6.2848 0.8322 0.2916 C.ar 1 UNL111111111 -0.0568 26 C -4.9392 0.6305 0.0013 C.ar 1 UNL111111111 -0.1964 27 C -8.5771 -0.1030 0.6632 C.2 1 UNL111111111 0.6433 28 O -8.9466 1.2056 0.7274 O.3 1 UNL111111111 -0.5600 29 O -9.3901 -0.9691 0.8696 O.2 1 UNL111111111 -0.5077 30 CL 2.4172 6.1550 1.1811 Cl 1 UNL111111111 -0.0828 31 C 1.9443 -2.3587 -1.6143 C.3 1 UNL111111111 -0.0612 32 C 2.6149 -2.6015 -0.2516 C.3 1 UNL111111111 -0.3281 33 C 3.6443 -3.7365 -0.3802 C.3 1 UNL111111111 -0.0813 34 N 4.2543 -4.0177 0.9074 N.ar 1 UNL111111111 -0.2623 35 C 5.3755 -3.3913 1.4528 C.ar 1 UNL111111111 0.0665 36 N 5.6175 -3.8823 2.6793 N.ar 1 UNL111111111 -0.3705 37 C 4.6391 -4.8281 2.9442 C.ar 1 UNL111111111 -0.0679 38 C 3.7731 -4.9213 1.8525 C.ar 1 UNL111111111 -0.1505 39 H 5.2046 2.4944 -1.4766 H 1 UNL111111111 0.3370 40 H 3.3942 -0.4115 -3.7163 H 1 UNL111111111 0.1850 41 H 3.1922 4.3313 -0.8326 H 1 UNL111111111 0.1750 42 H 1.4894 4.3288 3.1399 H 1 UNL111111111 0.1711 43 H 1.4167 1.8389 3.1033 H 1 UNL111111111 0.1652 44 H 2.2452 0.6003 1.1197 H 1 UNL111111111 0.1635 45 H -0.7942 -3.4730 -0.9149 H 1 UNL111111111 0.1590 46 H -3.1442 -3.0150 -0.3322 H 1 UNL111111111 0.1587 47 H -2.5572 1.2468 -0.8990 H 1 UNL111111111 0.1792 48 H -4.9922 -2.7428 -0.4639 H 1 UNL111111111 0.1592 49 H -7.3639 -2.3951 0.1117 H 1 UNL111111111 0.1710 50 H -6.6595 1.8403 0.4865 H 1 UNL111111111 0.1715 51 H -4.2704 1.4916 -0.0085 H 1 UNL111111111 0.1650 52 H -9.9036 1.3272 0.9458 H 1 UNL111111111 0.3565 53 H 1.4065 -3.2751 -1.9569 H 1 UNL111111111 0.1564 54 H 2.7129 -2.1303 -2.3905 H 1 UNL111111111 0.1570 55 H 3.1028 -1.6740 0.1098 H 1 UNL111111111 0.1676 56 H 1.8548 -2.8467 0.5180 H 1 UNL111111111 0.1708 57 H 3.1595 -4.6620 -0.7722 H 1 UNL111111111 0.1560 58 H 4.4402 -3.4596 -1.1130 H 1 UNL111111111 0.1572 59 H 5.9507 -2.6386 0.9455 H 1 UNL111111111 0.1869 60 H 4.6264 -5.3620 3.8741 H 1 UNL111111111 0.1807 61 H 2.9117 -5.5310 1.6930 H 1 UNL111111111 0.1744 @BOND 1 1 2 ar 2 1 39 1 3 2 3 ar 4 3 40 1 5 4 3 ar 6 5 1 ar 7 5 4 ar 8 6 5 1 9 7 6 ar 10 7 41 1 11 8 7 ar 12 9 8 ar 13 9 10 ar 14 9 42 1 15 10 11 ar 16 10 43 1 17 11 6 ar 18 11 44 1 19 12 13 ar 20 12 4 1 21 13 31 1 22 14 17 ar 23 14 13 ar 24 15 16 ar 25 15 14 ar 26 16 12 ar 27 17 45 1 28 18 17 ar 29 18 46 1 30 19 18 ar 31 20 19 ar 32 20 15 ar 33 20 47 1 34 21 19 1 35 21 22 ar 36 22 48 1 37 23 22 ar 38 23 49 1 39 24 23 ar 40 25 26 ar 41 25 24 ar 42 25 50 1 43 26 21 ar 44 26 51 1 45 27 24 1 46 27 28 1 47 28 52 1 48 29 27 2 49 30 8 1 50 31 32 1 51 31 53 1 52 31 54 1 53 32 33 1 54 32 55 1 55 32 56 1 56 33 57 1 57 33 58 1 58 34 33 1 59 34 38 ar 60 35 34 ar 61 35 59 1 62 36 35 ar 63 36 37 ar 64 37 38 ar 65 37 60 1 66 38 61 1