@MOLECULE n~4~-cyclohexyl-5-(4-fluorophenyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine 44 47 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.6683 3.5898 -1.1716 C.3 1 UNL1111 -0.2573 2 C 0.6424 3.0248 0.9123 C.3 1 UNL1111 -0.2981 3 C 1.4650 1.9019 0.2473 C.3 1 UNL1111 0.1115 4 C 1.4664 4.3173 0.9247 C.3 1 UNL1111 -0.2600 5 C 1.8702 4.7159 -0.5012 C.3 1 UNL1111 -0.2694 6 C 1.8569 2.2912 -1.1940 C.3 1 UNL1111 -0.3058 7 N 0.6438 0.6772 0.2426 N.pl3 1 UNL1111 -0.5185 8 C 0.4031 -1.7317 0.0369 C.ar 1 UNL1111 -0.3721 9 C 1.1126 -2.9765 -0.0222 C.ar 1 UNL1111 0.3697 10 C 1.2064 -0.5636 0.1563 C.ar 1 UNL1111 0.5019 11 N 2.5611 -0.6690 0.2213 N.ar 1 UNL1111 -0.6502 12 C -0.9901 -2.0507 -0.0682 C.ar 1 UNL1111 -0.0361 13 C 3.1190 -1.9292 0.1819 C.ar 1 UNL1111 0.5896 14 N 4.4840 -1.9804 0.2815 N.pl3 1 UNL1111 -0.5893 15 N 2.4603 -3.1210 0.0473 N.ar 1 UNL1111 -0.6162 16 C -1.0922 -3.4264 -0.1945 C.ar 1 UNL1111 -0.0765 17 C -3.3741 0.5590 1.1686 C.ar 1 UNL1111 -0.2213 18 F -5.1741 1.5625 0.0658 F 1 UNL1111 -0.1780 19 C -4.1725 0.6954 0.0337 C.ar 1 UNL1111 0.1952 20 C -2.3265 -0.3557 1.1241 C.ar 1 UNL1111 -0.1144 21 C -3.9640 -0.0373 -1.1337 C.ar 1 UNL1111 -0.2212 22 C -2.9083 -0.9443 -1.1575 C.ar 1 UNL1111 -0.1048 23 C -2.0890 -1.1043 -0.0346 C.ar 1 UNL1111 -0.0266 24 N 0.1945 -3.9996 -0.1663 N.ar 1 UNL1111 -0.3596 25 H -0.3079 3.1862 0.3713 H 1 UNL1111 0.1413 26 H 0.3679 2.7330 1.9432 H 1 UNL1111 0.1463 27 H 0.8862 5.1309 1.3969 H 1 UNL1111 0.1320 28 H 2.3695 4.1859 1.5505 H 1 UNL1111 0.1383 29 H 2.3964 1.7034 0.8454 H 1 UNL1111 0.1696 30 H 2.4672 5.6452 -0.4810 H 1 UNL1111 0.1291 31 H 0.9685 4.9452 -1.0992 H 1 UNL1111 0.1377 32 H 2.9458 3.8798 -2.2014 H 1 UNL1111 0.1319 33 H 3.6233 3.4298 -0.6356 H 1 UNL1111 0.1389 34 H 0.9581 2.4071 -1.8239 H 1 UNL1111 0.1409 35 H 2.4509 1.4732 -1.6477 H 1 UNL1111 0.1564 36 H -0.3394 0.7774 0.0200 H 1 UNL1111 0.3206 37 H 5.0115 -1.1360 0.3519 H 1 UNL1111 0.3226 38 H 4.9564 -2.8577 0.2239 H 1 UNL1111 0.3225 39 H -1.9650 -4.0410 -0.2920 H 1 UNL1111 0.1733 40 H -2.7130 -1.5321 -2.0552 H 1 UNL1111 0.1646 41 H -1.6864 -0.4987 1.9972 H 1 UNL1111 0.1712 42 H -4.6062 0.0917 -2.0023 H 1 UNL1111 0.1715 43 H -3.5649 1.1432 2.0665 H 1 UNL1111 0.1731 44 H 0.4127 -4.9682 -0.2277 H 1 UNL1111 0.3261 @BOND 1 1 6 1 2 1 32 1 3 1 33 1 4 2 4 1 5 2 3 1 6 2 25 1 7 2 26 1 8 3 7 1 9 3 29 1 10 4 5 1 11 4 27 1 12 4 28 1 13 5 1 1 14 5 30 1 15 5 31 1 16 6 3 1 17 6 34 1 18 6 35 1 19 7 10 1 20 7 36 1 21 8 9 ar 22 8 12 ar 23 9 24 ar 24 10 8 ar 25 10 11 ar 26 11 13 ar 27 12 23 1 28 13 14 1 29 13 15 ar 30 14 37 1 31 14 38 1 32 15 9 ar 33 16 12 ar 34 16 39 1 35 17 20 ar 36 17 43 1 37 19 18 1 38 19 17 ar 39 20 41 1 40 21 19 ar 41 21 42 1 42 22 21 ar 43 22 40 1 44 23 22 ar 45 23 20 ar 46 24 16 ar 47 24 44 1