@MOLECULE 2-cyclopentyl-4-(5-phenyl-1h-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid 51 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.9105 -0.2201 -1.2372 O.3 1 UNL1111 -0.5640 2 O -4.9937 1.7972 -1.1981 O.2 1 UNL1111 -0.5142 3 N 1.2520 -4.1084 0.8068 N.ar 1 UNL1111 -0.3552 4 N 3.3721 -2.8908 0.6027 N.ar 1 UNL1111 -0.3886 5 C -2.6560 1.8242 0.6318 C.3 1 UNL1111 -0.1379 6 C -2.5870 1.8562 2.1789 C.3 1 UNL1111 -0.2685 7 C -1.4305 2.6188 0.1116 C.3 1 UNL1111 -0.2577 8 C -1.4404 2.8114 2.5504 C.3 1 UNL1111 -0.2614 9 C -0.5176 2.8643 1.3227 C.3 1 UNL1111 -0.2558 10 C -2.6290 0.4128 0.1184 C.ar 1 UNL1111 0.0969 11 C -1.5154 -0.3758 0.4283 C.ar 1 UNL1111 -0.2211 12 C -3.6513 -0.1502 -0.6553 C.ar 1 UNL1111 -0.1972 13 C -1.4004 -1.6848 -0.0378 C.ar 1 UNL1111 0.0933 14 C -3.5520 -1.4770 -1.0996 C.ar 1 UNL1111 -0.0507 15 C -0.1982 -2.4365 0.2468 C.ar 1 UNL1111 -0.1291 16 C -2.4355 -2.2428 -0.8001 C.ar 1 UNL1111 -0.2092 17 C -4.8460 0.6115 -1.0376 C.2 1 UNL1111 0.6540 18 C 1.1347 -1.9027 0.1862 C.ar 1 UNL1111 -0.1157 19 C -0.0906 -3.7708 0.6217 C.ar 1 UNL1111 -0.0111 20 C 2.0199 -2.9767 0.5432 C.ar 1 UNL1111 0.2326 21 C 1.7114 -0.6739 -0.1381 C.ar 1 UNL1111 -0.0600 22 C 3.0927 -0.5725 -0.0798 C.ar 1 UNL1111 -0.1374 23 C 3.8819 -1.6968 0.2939 C.ar 1 UNL1111 0.0719 24 C 3.7516 0.6934 -0.4120 C.ar 1 UNL1111 -0.0002 25 C 4.4200 0.8314 -1.6304 C.ar 1 UNL1111 -0.1512 26 C 3.6932 1.7649 0.4823 C.ar 1 UNL1111 -0.1492 27 C 5.0280 2.0423 -1.9530 C.ar 1 UNL1111 -0.1421 28 C 4.3055 2.9724 0.1555 C.ar 1 UNL1111 -0.1426 29 C 4.9721 3.1122 -1.0609 C.ar 1 UNL1111 -0.1510 30 H -3.5811 2.3574 0.3060 H 1 UNL1111 0.1710 31 H -3.5445 2.1923 2.6065 H 1 UNL1111 0.1349 32 H -2.4081 0.8504 2.5950 H 1 UNL1111 0.1421 33 H -0.9048 2.0852 -0.6959 H 1 UNL1111 0.1414 34 H -1.7649 3.5750 -0.3267 H 1 UNL1111 0.1407 35 H -1.8346 3.8159 2.7807 H 1 UNL1111 0.1319 36 H -0.9052 2.4746 3.4508 H 1 UNL1111 0.1304 37 H 0.2656 2.0897 1.3890 H 1 UNL1111 0.1320 38 H 0.0086 3.8281 1.2478 H 1 UNL1111 0.1302 39 H -0.7228 0.0451 1.0503 H 1 UNL1111 0.1751 40 H -4.3621 -1.9087 -1.6941 H 1 UNL1111 0.1678 41 H -2.3532 -3.2632 -1.1653 H 1 UNL1111 0.1596 42 H -0.8709 -4.4947 0.7776 H 1 UNL1111 0.1744 43 H 1.6114 -4.9934 1.0880 H 1 UNL1111 0.3261 44 H 1.0913 0.1724 -0.4360 H 1 UNL1111 0.1733 45 H 4.9755 -1.6141 0.3413 H 1 UNL1111 0.1794 46 H -6.7318 0.2611 -1.5031 H 1 UNL1111 0.3536 47 H 4.4571 -0.0040 -2.3274 H 1 UNL1111 0.1575 48 H 3.1717 1.6528 1.4311 H 1 UNL1111 0.1571 49 H 5.5450 2.1537 -2.9039 H 1 UNL1111 0.1491 50 H 4.2623 3.8088 0.8499 H 1 UNL1111 0.1484 51 H 5.4471 4.0569 -1.3155 H 1 UNL1111 0.1466 @BOND 1 1 17 1 2 1 46 1 3 2 17 2 4 3 19 ar 5 3 20 ar 6 3 43 1 7 4 20 ar 8 4 23 ar 9 5 6 1 10 5 7 1 11 5 10 1 12 5 30 1 13 6 8 1 14 6 31 1 15 6 32 1 16 7 9 1 17 7 33 1 18 7 34 1 19 8 9 1 20 8 35 1 21 8 36 1 22 9 37 1 23 9 38 1 24 10 11 ar 25 10 12 ar 26 11 13 ar 27 11 39 1 28 12 14 ar 29 12 17 1 30 13 15 1 31 13 16 ar 32 14 16 ar 33 14 40 1 34 15 18 ar 35 15 19 ar 36 16 41 1 37 18 20 ar 38 18 21 ar 39 19 42 1 40 21 22 ar 41 21 44 1 42 22 23 ar 43 22 24 1 44 23 45 1 45 24 25 ar 46 24 26 ar 47 25 27 ar 48 25 47 1 49 26 28 ar 50 26 48 1 51 27 29 ar 52 27 49 1 53 28 29 ar 54 28 50 1 55 29 51 1