@MOLECULE 5-[3-(2-methoxyphenyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-n,n-dimethylnicotinamide 48 51 0 0 0 SMALL GASTEIGER @ATOM 1 N -0.3798 -3.1606 -0.1625 N.ar 1 UNL1111 -0.3953 2 C 0.6025 -2.3086 0.1335 C.ar 1 UNL1111 0.0777 3 C 0.4012 -0.9254 0.4063 C.ar 1 UNL1111 -0.1596 4 C -0.8807 -0.3885 0.3707 C.ar 1 UNL1111 -0.0294 5 C -1.9379 -1.2400 0.0562 C.ar 1 UNL1111 -0.1168 6 C -1.6245 -2.6216 -0.1990 C.ar 1 UNL1111 0.2418 7 C -3.3618 -1.1114 -0.0982 C.ar 1 UNL1111 -0.0673 8 C -3.8542 -2.3686 -0.4252 C.ar 1 UNL1111 -0.0395 9 N -2.8049 -3.2941 -0.4863 N.ar 1 UNL1111 -0.3548 10 C -4.1256 0.1050 0.0515 C.ar 1 UNL1111 -0.0923 11 C -3.6930 1.3043 -0.5571 C.ar 1 UNL1111 0.2489 12 C -4.4128 2.4900 -0.4209 C.ar 1 UNL1111 -0.2946 13 C -5.5850 2.4829 0.3337 C.ar 1 UNL1111 -0.0789 14 C -6.0300 1.3120 0.9403 C.ar 1 UNL1111 -0.2222 15 C -5.3018 0.1303 0.7984 C.ar 1 UNL1111 -0.0861 16 O -2.5387 1.1612 -1.2573 O.3 1 UNL1111 -0.3015 17 C 1.5464 -0.0793 0.7159 C.ar 1 UNL1111 -0.0687 18 C 1.5199 0.7810 1.8311 C.ar 1 UNL1111 0.0553 19 N 2.5409 1.5948 2.1477 N.ar 1 UNL1111 -0.3592 20 C 3.6401 1.5874 1.3721 C.ar 1 UNL1111 0.0640 21 C 3.7532 0.7479 0.2559 C.ar 1 UNL1111 -0.1976 22 C 2.6909 -0.0855 -0.0847 C.ar 1 UNL1111 -0.0738 23 C 4.9739 0.8078 -0.5908 C.2 1 UNL1111 0.5655 24 O 5.1312 1.6700 -1.4322 O.2 1 UNL1111 -0.5088 25 N 5.8990 -0.2121 -0.4452 N.am 1 UNL1111 -0.4540 26 C 7.1798 -0.0878 -1.1474 C.3 1 UNL1111 -0.2328 27 C 5.9203 -1.0523 0.7524 C.3 1 UNL1111 -0.2361 28 C -2.0461 2.3005 -1.9497 C.3 1 UNL1111 -0.2069 29 H -1.1496 1.8963 -2.4433 H 1 UNL1111 0.1608 30 H -2.7657 2.6494 -2.6959 H 1 UNL1111 0.1335 31 H -1.7731 3.0959 -1.2497 H 1 UNL1111 0.1357 32 H -4.0781 3.4090 -0.8892 H 1 UNL1111 0.1627 33 H -6.1550 3.4041 0.4478 H 1 UNL1111 0.1455 34 H -6.9443 1.3158 1.5271 H 1 UNL1111 0.1531 35 H -5.6489 -0.7821 1.2833 H 1 UNL1111 0.1542 36 H -4.8667 -2.6669 -0.6272 H 1 UNL1111 0.1751 37 H -2.8781 -4.2596 -0.7147 H 1 UNL1111 0.3250 38 H 1.6116 -2.7388 0.1646 H 1 UNL1111 0.1743 39 H -1.0645 0.6689 0.5675 H 1 UNL1111 0.1742 40 H 0.6501 0.8224 2.4995 H 1 UNL1111 0.1795 41 H 4.4397 2.2792 1.6613 H 1 UNL1111 0.1765 42 H 2.7475 -0.7229 -0.9693 H 1 UNL1111 0.1748 43 H 7.9478 0.4034 -0.5278 H 1 UNL1111 0.1343 44 H 7.5401 -1.0858 -1.4476 H 1 UNL1111 0.1424 45 H 7.0523 0.5153 -2.0698 H 1 UNL1111 0.1774 46 H 6.5091 -1.9671 0.5625 H 1 UNL1111 0.1520 47 H 6.3631 -0.5321 1.6193 H 1 UNL1111 0.1358 48 H 4.8979 -1.3724 1.0229 H 1 UNL1111 0.1560 @BOND 1 1 6 ar 2 1 2 ar 3 2 3 ar 4 2 38 1 5 3 4 ar 6 3 17 1 7 4 5 ar 8 4 39 1 9 5 7 ar 10 5 6 ar 11 6 9 ar 12 7 10 1 13 7 8 ar 14 8 9 ar 15 8 36 1 16 9 37 1 17 10 15 ar 18 10 11 ar 19 11 16 1 20 11 12 ar 21 12 13 ar 22 12 32 1 23 13 14 ar 24 13 33 1 25 14 15 ar 26 14 34 1 27 15 35 1 28 16 28 1 29 17 18 ar 30 17 22 ar 31 18 19 ar 32 18 40 1 33 19 20 ar 34 20 21 ar 35 20 41 1 36 21 22 ar 37 21 23 1 38 22 42 1 39 23 24 2 40 23 25 am 41 25 26 1 42 25 27 1 43 26 43 1 44 26 44 1 45 26 45 1 46 27 46 1 47 27 47 1 48 27 48 1 49 28 29 1 50 28 30 1 51 28 31 1