@MOLECULE 5-[(5-methoxy-1h-pyrrolo[2,3-b]pyridin-3-yl)methyl]-n-[4-(trifluoromethyl)benzyl]-2-pyridinamine 49 52 0 0 0 SMALL GASTEIGER @ATOM 1 C 5.9283 -1.8213 -0.2898 C.ar 1 UNL1111 0.1203 2 C 6.4374 -1.9256 1.0335 C.ar 1 UNL1111 -0.0494 3 N 6.3535 -0.9302 1.9196 N.ar 1 UNL1111 -0.3455 4 C 5.3028 -0.6622 -0.7410 C.ar 1 UNL1111 -0.1738 5 N 5.5356 1.3576 2.2223 N.ar 1 UNL1111 -0.3554 6 C 4.8643 2.2683 1.4053 C.ar 1 UNL1111 -0.0245 7 C 4.6404 1.7131 0.1519 C.ar 1 UNL1111 -0.1004 8 C 5.1930 0.3903 0.1648 C.ar 1 UNL1111 -0.0699 9 C 5.7437 0.1938 1.4829 C.ar 1 UNL1111 0.1832 10 O 5.9958 -2.8028 -1.2325 O.3 1 UNL1111 -0.2968 11 C 3.9235 2.3387 -0.9828 C.3 1 UNL1111 -0.2354 12 C 2.4805 1.9407 -0.9401 C.ar 1 UNL1111 -0.1436 13 C 1.5465 2.7240 -0.2441 C.ar 1 UNL1111 0.0934 14 N 0.2541 2.3889 -0.1285 N.ar 1 UNL1111 -0.4698 15 C -0.1739 1.2436 -0.7349 C.ar 1 UNL1111 0.3653 16 C 0.6982 0.3966 -1.4511 C.ar 1 UNL1111 -0.3288 17 C 2.0344 0.7650 -1.5455 C.ar 1 UNL1111 -0.0369 18 C 6.6023 -4.0267 -0.8434 C.3 1 UNL1111 -0.2083 19 N -1.5537 1.0441 -0.6599 N.pl3 1 UNL1111 -0.5160 20 C -2.0473 -0.3447 -0.7146 C.3 1 UNL1111 -0.1025 21 C -3.5202 -0.3741 -0.4060 C.ar 1 UNL1111 0.0149 22 C -4.3923 0.4784 -1.0849 C.ar 1 UNL1111 -0.1613 23 C -5.7568 0.4473 -0.8078 C.ar 1 UNL1111 -0.0858 24 C -6.2431 -0.4453 0.1457 C.ar 1 UNL1111 -0.1428 25 C -5.3766 -1.3056 0.8221 C.ar 1 UNL1111 -0.0854 26 C -4.0125 -1.2667 0.5476 C.ar 1 UNL1111 -0.1755 27 C -7.7058 -0.5114 0.4737 C.3 1 UNL1111 0.5476 28 F -8.2578 -1.6969 0.2075 F 1 UNL1111 -0.2036 29 F -7.9739 -0.3027 1.7640 F 1 UNL1111 -0.2018 30 F -8.4843 0.3612 -0.1646 F 1 UNL1111 -0.2006 31 H 6.9280 -2.8359 1.3900 H 1 UNL1111 0.1804 32 H 4.9222 -0.5880 -1.7556 H 1 UNL1111 0.1768 33 H 5.8105 1.4898 3.1684 H 1 UNL1111 0.3247 34 H 4.5937 3.2419 1.7722 H 1 UNL1111 0.1699 35 H 4.0306 3.4455 -0.9596 H 1 UNL1111 0.1551 36 H 4.3866 2.0326 -1.9489 H 1 UNL1111 0.1625 37 H 1.8369 3.6550 0.2575 H 1 UNL1111 0.1680 38 H 0.3399 -0.5086 -1.9234 H 1 UNL1111 0.1683 39 H 2.7360 0.1293 -2.0873 H 1 UNL1111 0.1572 40 H 7.6498 -3.8774 -0.5641 H 1 UNL1111 0.1348 41 H 6.0344 -4.5095 -0.0423 H 1 UNL1111 0.1347 42 H 6.5364 -4.6177 -1.7680 H 1 UNL1111 0.1535 43 H -2.0484 1.6500 -0.0038 H 1 UNL1111 0.3141 44 H -1.8793 -0.7380 -1.7506 H 1 UNL1111 0.1649 45 H -1.4720 -1.0091 -0.0266 H 1 UNL1111 0.1459 46 H -4.0013 1.1722 -1.8328 H 1 UNL1111 0.1777 47 H -6.4227 1.1244 -1.3459 H 1 UNL1111 0.1698 48 H -5.7572 -2.0082 1.5664 H 1 UNL1111 0.1676 49 H -3.3354 -1.9334 1.0805 H 1 UNL1111 0.1632 @BOND 1 1 10 1 2 1 4 ar 3 2 1 ar 4 2 31 1 5 3 2 ar 6 3 9 ar 7 4 32 1 8 5 9 ar 9 5 6 ar 10 5 33 1 11 6 7 ar 12 6 34 1 13 7 11 1 14 8 4 ar 15 8 7 ar 16 9 8 ar 17 10 18 1 18 11 35 1 19 11 36 1 20 12 11 1 21 12 13 ar 22 13 14 ar 23 13 37 1 24 15 14 ar 25 16 15 ar 26 16 38 1 27 17 16 ar 28 17 12 ar 29 17 39 1 30 18 40 1 31 18 41 1 32 18 42 1 33 19 15 1 34 19 20 1 35 19 43 1 36 20 21 1 37 20 44 1 38 20 45 1 39 21 22 ar 40 21 26 ar 41 22 23 ar 42 22 46 1 43 23 24 ar 44 23 47 1 45 24 27 1 46 25 24 ar 47 25 48 1 48 26 25 ar 49 26 49 1 50 27 28 1 51 27 29 1 52 30 27 1