@MOLECULE n-{4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}-4-methyl-3-(1h-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide 69 73 0 0 0 SMALL GASTEIGER @ATOM 1 C 6.2893 -1.4728 2.1591 C.3 1 UNL1111 -0.4582 2 C 4.9951 -1.1121 1.5292 C.ar 1 UNL1111 0.0311 3 C 3.8407 -0.9311 2.2950 C.ar 1 UNL1111 -0.1665 4 C 2.6316 -0.5976 1.6889 C.ar 1 UNL1111 -0.1300 5 C 2.5633 -0.4431 0.3048 C.ar 1 UNL1111 -0.1358 6 C 3.7005 -0.5885 -0.4864 C.ar 1 UNL1111 -0.1229 7 C 4.8948 -0.9243 0.1445 C.ar 1 UNL1111 0.1387 8 O 5.9630 -1.2049 -0.6882 O.3 1 UNL1111 -0.2891 9 C 7.0365 -0.3691 -0.6328 C.ar 1 UNL1111 0.3240 10 C 8.1828 -0.8818 -1.2343 C.ar 1 UNL1111 -0.3874 11 C 9.3590 -0.0999 -1.2593 C.ar 1 UNL1111 0.1291 12 N 9.4572 1.1231 -0.7287 N.ar 1 UNL1111 -0.4405 13 C 8.3207 1.6030 -0.1587 C.ar 1 UNL1111 0.2811 14 C 7.0579 0.9141 -0.0733 C.ar 1 UNL1111 -0.2461 15 C 6.1545 1.8098 0.5857 C.ar 1 UNL1111 -0.1994 16 C 6.8538 2.9640 0.8831 C.ar 1 UNL1111 -0.0366 17 N 8.1806 2.8455 0.4391 N.ar 1 UNL1111 -0.3565 18 C 1.2859 -0.0769 -0.3659 C.2 1 UNL1111 0.5887 19 N 0.2284 -0.9459 -0.0906 N.am 1 UNL1111 -0.5728 20 C -1.0837 -0.7860 -0.5900 C.ar 1 UNL1111 0.1971 21 C -1.3719 -0.0323 -1.7367 C.ar 1 UNL1111 -0.1611 22 C -2.6888 0.0917 -2.1525 C.ar 1 UNL1111 -0.1549 23 C -3.7376 -0.5334 -1.4648 C.ar 1 UNL1111 0.0168 24 C -3.4374 -1.3215 -0.3527 C.ar 1 UNL1111 -0.0821 25 C -4.4838 -2.0572 0.4458 C.3 1 UNL1111 0.5724 26 F -5.5558 -2.4851 -0.2134 F 1 UNL1111 -0.1947 27 F -4.0258 -3.1883 1.0007 F 1 UNL1111 -0.2312 28 F -4.9513 -1.3690 1.4852 F 1 UNL1111 -0.1933 29 C -2.1212 -1.4322 0.0980 C.ar 1 UNL1111 -0.2029 30 C -5.1373 -0.2826 -1.9664 C.3 1 UNL1111 -0.1322 31 N -5.9543 0.2532 -0.8500 N.3 1 UNL1111 -0.4163 32 C -7.3994 0.2071 -1.1775 C.3 1 UNL1111 -0.1192 33 C -8.1959 0.6754 0.0641 C.3 1 UNL1111 -0.1185 34 N -7.8073 2.0717 0.3801 N.3 1 UNL1111 -0.4285 35 C -6.3606 2.1110 0.7129 C.3 1 UNL1111 -0.1236 36 C -5.5559 1.6443 -0.5224 C.3 1 UNL1111 -0.1200 37 C -8.6163 2.6217 1.4979 C.3 1 UNL1111 -0.0962 38 C -10.0368 2.9251 1.0034 C.3 1 UNL1111 -0.4458 39 O 1.1648 0.8783 -1.0961 O.2 1 UNL1111 -0.4807 40 H 6.8727 -2.1711 1.5366 H 1 UNL1111 0.1736 41 H 6.9204 -0.5778 2.3023 H 1 UNL1111 0.1762 42 H 6.1695 -1.9442 3.1437 H 1 UNL1111 0.1621 43 H 3.8884 -1.0514 3.3765 H 1 UNL1111 0.1625 44 H 1.7441 -0.4463 2.3036 H 1 UNL1111 0.1599 45 H 3.6668 -0.4390 -1.5679 H 1 UNL1111 0.1907 46 H 8.1741 -1.8712 -1.6797 H 1 UNL1111 0.1898 47 H 10.2737 -0.4869 -1.7288 H 1 UNL1111 0.1752 48 H 5.1208 1.6149 0.7899 H 1 UNL1111 0.1784 49 H 6.5181 3.8606 1.3714 H 1 UNL1111 0.1734 50 H 8.8973 3.5328 0.5104 H 1 UNL1111 0.3264 51 H 0.3840 -1.7267 0.5403 H 1 UNL1111 0.3192 52 H -0.5740 0.4637 -2.2959 H 1 UNL1111 0.1953 53 H -2.9082 0.6970 -3.0339 H 1 UNL1111 0.1613 54 H -1.8845 -2.0068 0.9939 H 1 UNL1111 0.1709 55 H -5.1265 0.3971 -2.8500 H 1 UNL1111 0.1282 56 H -5.5893 -1.2313 -2.3385 H 1 UNL1111 0.1608 57 H -7.6635 0.8412 -2.0504 H 1 UNL1111 0.1253 58 H -7.6796 -0.8405 -1.4168 H 1 UNL1111 0.1394 59 H -9.2807 0.6490 -0.1665 H 1 UNL1111 0.1358 60 H -8.0127 -0.0238 0.9091 H 1 UNL1111 0.1325 61 H -6.0791 3.1562 0.9578 H 1 UNL1111 0.1340 62 H -6.1027 1.4756 1.5876 H 1 UNL1111 0.1324 63 H -4.4710 1.6546 -0.2814 H 1 UNL1111 0.1430 64 H -5.7240 2.3488 -1.3647 H 1 UNL1111 0.1260 65 H -8.6491 1.9467 2.3792 H 1 UNL1111 0.1138 66 H -8.1399 3.5698 1.8348 H 1 UNL1111 0.1342 67 H -10.6349 2.0163 0.8877 H 1 UNL1111 0.1414 68 H -10.5611 3.5865 1.6994 H 1 UNL1111 0.1404 69 H -10.0041 3.4223 0.0239 H 1 UNL1111 0.1617 @BOND 1 1 40 1 2 1 41 1 3 1 42 1 4 2 3 ar 5 2 1 1 6 3 43 1 7 4 3 ar 8 4 44 1 9 5 4 ar 10 6 5 ar 11 6 7 ar 12 6 45 1 13 7 2 ar 14 8 9 1 15 8 7 1 16 9 10 ar 17 10 46 1 18 11 10 ar 19 11 47 1 20 12 11 ar 21 13 12 ar 22 14 13 ar 23 14 9 ar 24 15 14 ar 25 15 48 1 26 16 15 ar 27 16 17 ar 28 16 49 1 29 17 13 ar 30 17 50 1 31 18 19 am 32 18 5 1 33 19 51 1 34 20 21 ar 35 20 19 1 36 21 52 1 37 22 21 ar 38 22 53 1 39 23 22 ar 40 24 23 ar 41 24 29 ar 42 25 27 1 43 25 24 1 44 26 25 1 45 28 25 1 46 29 20 ar 47 29 54 1 48 30 23 1 49 30 55 1 50 30 56 1 51 31 30 1 52 32 31 1 53 32 57 1 54 32 58 1 55 33 32 1 56 33 59 1 57 33 60 1 58 34 35 1 59 34 33 1 60 35 36 1 61 35 61 1 62 35 62 1 63 36 31 1 64 36 63 1 65 36 64 1 66 37 34 1 67 37 65 1 68 37 66 1 69 38 37 1 70 38 67 1 71 38 68 1 72 38 69 1 73 39 18 2