@MOLECULE 5-(1h-pyrrolo[2,3-b]pyridin-3-ylmethyl)-n-[4-(trifluoromethyl)benzyl]-2-pyridinamine 45 48 0 0 0 SMALL GASTEIGER @ATOM 1 C 6.2356 2.4835 1.3536 C.ar 1 UNL1111 -0.2808 2 C 6.8211 2.9248 0.1384 C.ar 1 UNL1111 0.0783 3 N 6.8732 2.1881 -0.9744 N.ar 1 UNL1111 -0.4011 4 C 5.6708 1.2227 1.4421 C.ar 1 UNL1111 -0.0423 5 N 6.2420 0.0075 -1.8882 N.ar 1 UNL1111 -0.3595 6 C 5.5893 -1.1201 -1.3736 C.ar 1 UNL1111 -0.0516 7 C 5.2472 -0.9054 -0.0467 C.ar 1 UNL1111 -0.0738 8 C 5.6968 0.4113 0.3052 C.ar 1 UNL1111 -0.1452 9 C 6.3144 0.9557 -0.8759 C.ar 1 UNL1111 0.2424 10 C 4.5185 -1.8414 0.8400 C.3 1 UNL1111 -0.2416 11 C 3.0442 -1.6406 0.6743 C.ar 1 UNL1111 -0.1459 12 C 2.3470 -0.7524 1.5093 C.ar 1 UNL1111 0.1009 13 N 1.0359 -0.5093 1.3825 N.ar 1 UNL1111 -0.4642 14 C 0.3457 -1.1704 0.4074 C.ar 1 UNL1111 0.3689 15 C 0.9714 -2.0658 -0.4859 C.ar 1 UNL1111 -0.3353 16 C 2.3335 -2.2929 -0.3341 C.ar 1 UNL1111 -0.0421 17 N -1.0321 -0.9562 0.4440 N.pl3 1 UNL1111 -0.5148 18 C -1.7871 -1.0767 -0.8177 C.3 1 UNL1111 -0.1007 19 C -3.1954 -0.5923 -0.5936 C.ar 1 UNL1111 0.0102 20 C -3.7032 0.4653 -1.3483 C.ar 1 UNL1111 -0.1717 21 C -5.0029 0.9142 -1.1267 C.ar 1 UNL1111 -0.0870 22 C -5.7863 0.3080 -0.1440 C.ar 1 UNL1111 -0.1394 23 C -5.2873 -0.7574 0.6045 C.ar 1 UNL1111 -0.0883 24 C -3.9889 -1.2063 0.3772 C.ar 1 UNL1111 -0.1568 25 C -7.1836 0.8100 0.0763 C.3 1 UNL1111 0.5469 26 F -7.2966 2.1390 0.0611 F 1 UNL1111 -0.2013 27 F -8.0453 0.3926 -0.8531 F 1 UNL1111 -0.2027 28 F -7.7456 0.4546 1.2311 F 1 UNL1111 -0.2002 29 H 6.2370 3.1517 2.2094 H 1 UNL1111 0.1667 30 H 7.2685 3.9239 0.0659 H 1 UNL1111 0.1708 31 H 5.2165 0.8665 2.3644 H 1 UNL1111 0.1567 32 H 6.5888 0.1241 -2.8133 H 1 UNL1111 0.3252 33 H 5.4176 -1.9835 -1.9883 H 1 UNL1111 0.1699 34 H 4.7989 -2.8957 0.6187 H 1 UNL1111 0.1592 35 H 4.8231 -1.6897 1.9002 H 1 UNL1111 0.1600 36 H 2.8532 -0.1966 2.3087 H 1 UNL1111 0.1709 37 H 0.4070 -2.5736 -1.2565 H 1 UNL1111 0.1666 38 H 2.8477 -2.9796 -1.0066 H 1 UNL1111 0.1522 39 H -1.3433 -0.2023 1.0586 H 1 UNL1111 0.3159 40 H -1.2890 -0.5227 -1.6478 H 1 UNL1111 0.1446 41 H -1.8020 -2.1541 -1.1204 H 1 UNL1111 0.1622 42 H -3.0882 0.9466 -2.1083 H 1 UNL1111 0.1637 43 H -5.3947 1.7390 -1.7257 H 1 UNL1111 0.1686 44 H -5.8947 -1.2498 1.3662 H 1 UNL1111 0.1699 45 H -3.5850 -2.0346 0.9634 H 1 UNL1111 0.1757 @BOND 1 1 2 ar 2 1 29 1 3 2 3 ar 4 2 30 1 5 4 8 ar 6 4 1 ar 7 4 31 1 8 5 32 1 9 6 5 ar 10 6 33 1 11 7 8 ar 12 7 6 ar 13 8 9 ar 14 9 5 ar 15 9 3 ar 16 10 7 1 17 10 34 1 18 10 35 1 19 11 16 ar 20 11 10 1 21 12 11 ar 22 12 36 1 23 13 14 ar 24 13 12 ar 25 14 15 ar 26 15 16 ar 27 15 37 1 28 16 38 1 29 17 14 1 30 17 39 1 31 18 17 1 32 18 19 1 33 18 40 1 34 18 41 1 35 19 20 ar 36 20 21 ar 37 20 42 1 38 21 43 1 39 22 25 1 40 22 21 ar 41 23 22 ar 42 23 44 1 43 24 23 ar 44 24 19 ar 45 24 45 1 46 25 27 1 47 25 26 1 48 28 25 1