@MOLECULE n-{5-[3-(3-cyanophenyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl}benzenesulfonamide 50 54 0 0 0 SMALL GASTEIGER @ATOM 1 S 4.5105 0.3977 -0.9804 S.O2 1 UNL1111 2.3635 2 O 4.7653 1.1661 -2.1729 O.2 1 UNL1111 -0.8833 3 O 5.5533 -0.2346 -0.2187 O.2 1 UNL1111 -0.8727 4 N -4.9747 -2.6504 0.0097 N.ar 1 UNL1111 -0.3486 5 N -2.8812 -3.9059 0.2178 N.ar 1 UNL1111 -0.3812 6 N 3.4300 -0.8684 -1.5437 N.pl3 1 UNL1111 -0.8532 7 N 2.5958 -2.9524 1.3743 N.ar 1 UNL1111 -0.3233 8 N -1.2243 4.3323 1.4877 N.1 1 UNL1111 -0.2586 9 C -3.0237 -1.4426 -0.0654 C.ar 1 UNL1111 -0.1070 10 C -4.1318 -0.5382 -0.2042 C.ar 1 UNL1111 -0.1267 11 C -3.5879 -2.7587 0.0667 C.ar 1 UNL1111 0.2339 12 C -0.8947 -2.5056 0.1235 C.ar 1 UNL1111 -0.1358 13 C -1.6325 -1.3406 -0.0424 C.ar 1 UNL1111 -0.0599 14 C -5.2941 -1.3024 -0.1545 C.ar 1 UNL1111 -0.0125 15 C -4.0453 0.8954 -0.3671 C.ar 1 UNL1111 0.0301 16 C 0.5614 -2.4402 0.1890 C.ar 1 UNL1111 -0.0391 17 C -1.5560 -3.7617 0.2465 C.ar 1 UNL1111 0.0793 18 C 1.2837 -1.7355 -0.7751 C.ar 1 UNL1111 -0.2080 19 C 2.6724 -1.6157 -0.6323 C.ar 1 UNL1111 0.1547 20 C -3.0976 1.6278 0.3550 C.ar 1 UNL1111 -0.1182 21 C -4.9033 1.5605 -1.2525 C.ar 1 UNL1111 -0.1247 22 C 1.2590 -3.0389 1.2509 C.ar 1 UNL1111 -0.0169 23 C 3.4680 1.2901 0.1080 C.ar 1 UNL1111 -0.4164 24 C 3.2950 -2.2638 0.4651 C.ar 1 UNL1111 -0.0324 25 C -3.0076 3.0101 0.1744 C.ar 1 UNL1111 -0.0347 26 C -4.8128 2.9401 -1.4193 C.ar 1 UNL1111 -0.1464 27 C -3.8642 3.6726 -0.7107 C.ar 1 UNL1111 -0.1223 28 C 3.3957 0.9297 1.4533 C.ar 1 UNL1111 -0.0671 29 C 2.6752 2.3268 -0.3837 C.ar 1 UNL1111 -0.0693 30 C 2.5009 1.5814 2.3001 C.ar 1 UNL1111 -0.1806 31 C 1.7853 2.9799 0.4656 C.ar 1 UNL1111 -0.1756 32 C 1.6915 2.6023 1.8048 C.ar 1 UNL1111 -0.0819 33 C -2.0298 3.7445 0.8993 C.1 1 UNL1111 0.1262 34 H -1.1425 -0.3731 -0.1476 H 1 UNL1111 0.1654 35 H -6.3184 -0.9784 -0.2134 H 1 UNL1111 0.1743 36 H -5.6145 -3.4107 0.0861 H 1 UNL1111 0.3281 37 H -0.9750 -4.6866 0.3657 H 1 UNL1111 0.1838 38 H 0.7701 -1.2776 -1.6180 H 1 UNL1111 0.1698 39 H -2.4396 1.1215 1.0633 H 1 UNL1111 0.1722 40 H -5.6379 0.9916 -1.8219 H 1 UNL1111 0.1589 41 H 3.0669 -0.8005 -2.4900 H 1 UNL1111 0.3266 42 H 0.7413 -3.5990 2.0360 H 1 UNL1111 0.1758 43 H 4.3870 -2.2333 0.6091 H 1 UNL1111 0.2092 44 H -5.4840 3.4483 -2.1114 H 1 UNL1111 0.1590 45 H -3.7889 4.7512 -0.8435 H 1 UNL1111 0.1619 46 H 4.0331 0.1367 1.8624 H 1 UNL1111 0.1724 47 H 2.7441 2.6429 -1.4302 H 1 UNL1111 0.1685 48 H 2.4347 1.2909 3.3469 H 1 UNL1111 0.1567 49 H 1.1618 3.7906 0.0896 H 1 UNL1111 0.1615 50 H 0.9855 3.1146 2.4629 H 1 UNL1111 0.1646 @BOND 1 1 2 2 2 1 3 2 3 1 6 1 4 1 23 1 5 4 11 ar 6 4 14 ar 7 4 36 1 8 5 11 ar 9 5 17 ar 10 6 19 1 11 6 41 1 12 7 22 ar 13 7 24 ar 14 8 33 3 15 9 10 ar 16 9 11 ar 17 9 13 ar 18 10 14 ar 19 10 15 1 20 12 13 ar 21 12 16 1 22 12 17 ar 23 13 34 1 24 14 35 1 25 15 20 ar 26 15 21 ar 27 16 18 ar 28 16 22 ar 29 17 37 1 30 18 19 ar 31 18 38 1 32 19 24 ar 33 20 25 ar 34 20 39 1 35 21 26 ar 36 21 40 1 37 22 42 1 38 23 28 ar 39 23 29 ar 40 24 43 1 41 25 27 ar 42 25 33 1 43 26 27 ar 44 26 44 1 45 27 45 1 46 28 30 ar 47 28 46 1 48 29 31 ar 49 29 47 1 50 30 32 ar 51 30 48 1 52 31 32 ar 53 31 49 1 54 32 50 1