@MOLECULE 6-chloro-n-cyclohexyl-4-(1h-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinamine 42 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 5.1769 -0.1967 -1.1759 C.ar 1 UNL1 -0.2702 2 C 3.8778 0.1800 -0.8803 C.ar 1 UNL1 -0.0453 3 C -0.5634 -0.0081 -0.0681 C.ar 1 UNL1 -0.3876 4 C 1.1369 1.6527 0.3921 C.ar 1 UNL1 -0.3603 5 C 5.6811 -1.4478 -0.7362 C.ar 1 UNL1 0.0738 6 C 1.5779 -1.9558 1.0169 C.ar 1 UNL1 0.0050 7 C 3.0933 -0.7060 -0.1373 C.ar 1 UNL1 -0.1112 8 C 0.7613 0.3107 0.2274 C.ar 1 UNL1 0.1919 9 C 1.7485 -0.7368 0.3677 C.ar 1 UNL1 -0.1440 10 C 3.6977 -1.9518 0.2491 C.ar 1 UNL1 0.2325 11 C -1.5027 1.0407 -0.2095 C.ar 1 UNL1 0.4282 12 C 0.1329 2.6048 0.2422 C.ar 1 UNL1 0.2785 13 C -5.7838 -2.1219 0.2291 C.3 1 UNL1 -0.2693 14 C -4.5051 -2.1269 1.0772 C.3 1 UNL1 -0.2594 15 C -5.4669 -1.7686 -1.2300 C.3 1 UNL1 -0.2604 16 C -3.7972 -0.7715 0.9949 C.3 1 UNL1 -0.3153 17 C -4.7678 -0.4078 -1.3177 C.3 1 UNL1 -0.2957 18 C -3.4729 -0.4434 -0.4795 C.3 1 UNL1 0.1007 19 N 4.9669 -2.3324 -0.0335 N.ar 1 UNL1 -0.3978 20 N -1.1478 2.3560 -0.0343 N.ar 1 UNL1 -0.5063 21 N 2.7561 -2.6989 0.9551 N.ar 1 UNL1 -0.3556 22 N -2.8131 0.8666 -0.5973 N.pl3 1 UNL1 -0.5314 23 CL 0.5210 4.2654 0.4327 Cl 1 UNL1 -0.0603 24 H 5.8261 0.4589 -1.7497 H 1 UNL1 0.1690 25 H 3.4677 1.1332 -1.2154 H 1 UNL1 0.1698 26 H -0.8598 -1.0388 -0.2151 H 1 UNL1 0.1779 27 H 2.1562 1.9230 0.6434 H 1 UNL1 0.1897 28 H 6.7111 -1.7473 -0.9666 H 1 UNL1 0.1718 29 H 0.7070 -2.3336 1.5246 H 1 UNL1 0.1767 30 H -6.2785 -3.1088 0.2821 H 1 UNL1 0.1319 31 H -6.5092 -1.3969 0.6440 H 1 UNL1 0.1397 32 H -4.7502 -2.3618 2.1298 H 1 UNL1 0.1349 33 H -3.8288 -2.9338 0.7381 H 1 UNL1 0.1369 34 H -4.8321 -2.5543 -1.6815 H 1 UNL1 0.1384 35 H -6.3973 -1.7533 -1.8278 H 1 UNL1 0.1358 36 H -4.4327 0.0200 1.4327 H 1 UNL1 0.1484 37 H -2.8696 -0.7810 1.5965 H 1 UNL1 0.1476 38 H -4.5309 -0.1615 -2.3703 H 1 UNL1 0.1515 39 H -5.4437 0.3905 -0.9597 H 1 UNL1 0.1449 40 H -2.7883 -1.2279 -0.8987 H 1 UNL1 0.1477 41 H 2.9180 -3.5991 1.3487 H 1 UNL1 0.3257 42 H -3.4155 1.6855 -0.5718 H 1 UNL1 0.3211 @BOND 1 38 17 1 2 35 15 1 3 24 1 1 4 34 15 1 5 17 15 1 6 17 39 1 7 17 18 1 8 15 13 1 9 25 2 1 10 1 2 ar 11 1 5 ar 12 28 5 1 13 40 18 1 14 2 7 ar 15 5 19 ar 16 22 42 1 17 22 18 1 18 22 11 1 19 18 16 1 20 26 3 1 21 11 3 ar 22 11 20 ar 23 7 10 ar 24 7 9 ar 25 3 8 ar 26 20 12 ar 27 19 10 ar 28 8 9 1 29 8 4 ar 30 13 30 1 31 13 31 1 32 13 14 1 33 12 4 ar 34 12 23 1 35 10 21 ar 36 9 6 ar 37 4 27 1 38 33 14 1 39 21 6 ar 40 21 41 1 41 16 14 1 42 16 36 1 43 16 37 1 44 6 29 1 45 14 32 1