@MOLECULE 7-[trans-4-(4-methyl-1-piperazinyl)cyclohexyl]-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine 70 75 0 0 0 SMALL GASTEIGER @ATOM 1 N 3.2867 2.8841 -0.0869 N.pl3 1 UNL1111 -0.5820 2 C 1.9252 2.9746 -0.0718 C.ar 1 UNL1111 0.4725 3 C 1.0711 1.8428 -0.0775 C.ar 1 UNL1111 -0.3185 4 C 1.1965 0.4174 -0.0765 C.ar 1 UNL1111 -0.0685 5 C 2.4453 -0.3178 -0.0994 C.ar 1 UNL1111 -0.0155 6 C 2.8049 -1.1113 0.9954 C.ar 1 UNL1111 -0.1114 7 C 4.0275 -1.7752 1.0041 C.ar 1 UNL1111 -0.1977 8 C 4.8639 -1.6302 -0.1009 C.ar 1 UNL1111 0.1918 9 O 6.0278 -2.3772 -0.1032 O.3 1 UNL1111 -0.3265 10 C 7.2010 -1.6790 0.0103 C.ar 1 UNL1111 0.2512 11 C 7.2836 -0.3391 0.3851 C.ar 1 UNL1111 -0.2841 12 C 8.5476 0.2352 0.5058 C.ar 1 UNL1111 -0.0790 13 C 9.6928 -0.5182 0.2582 C.ar 1 UNL1111 -0.2162 14 C 9.5844 -1.8605 -0.1133 C.ar 1 UNL1111 -0.0820 15 C 8.3366 -2.4576 -0.2430 C.ar 1 UNL1111 -0.2429 16 C 4.5198 -0.8657 -1.2146 C.ar 1 UNL1111 -0.2109 17 C 3.2935 -0.2102 -1.2082 C.ar 1 UNL1111 -0.1270 18 C -0.0866 -0.1104 -0.0430 C.ar 1 UNL1111 -0.0564 19 N -1.0235 0.9337 -0.0326 N.ar 1 UNL1111 -0.2755 20 C -0.3356 2.1308 -0.0503 C.ar 1 UNL1111 0.3064 21 N -0.8662 3.3880 -0.0379 N.ar 1 UNL1111 -0.5242 22 C 0.0438 4.3754 -0.0471 C.ar 1 UNL1111 0.2964 23 N 1.3959 4.2321 -0.0589 N.ar 1 UNL1111 -0.5870 24 C -2.4795 0.7981 0.0213 C.3 1 UNL1111 0.0882 25 C -2.8925 0.0919 1.3294 C.3 1 UNL1111 -0.2995 26 C -4.4164 -0.0150 1.3844 C.3 1 UNL1111 -0.2822 27 C -4.9376 -0.8017 0.1588 C.3 1 UNL1111 0.0587 28 C -4.5097 -0.0886 -1.1463 C.3 1 UNL1111 -0.3211 29 C -2.9852 0.0168 -1.2090 C.3 1 UNL1111 -0.2930 30 N -6.3937 -1.0053 0.3174 N.3 1 UNL1111 -0.4569 31 C -7.2015 0.2211 0.1278 C.3 1 UNL1111 -0.1138 32 C -8.6591 -0.0861 0.5483 C.3 1 UNL1111 -0.1277 33 N -9.1904 -1.1624 -0.3246 N.3 1 UNL1111 -0.3988 34 C -10.6038 -1.4454 0.0079 C.3 1 UNL1111 -0.2846 35 C -8.3686 -2.3880 -0.1670 C.3 1 UNL1111 -0.1253 36 C -6.9087 -2.0722 -0.5740 C.3 1 UNL1111 -0.1164 37 H 3.7388 1.9943 -0.0314 H 1 UNL1111 0.3198 38 H 3.8450 3.7149 -0.0524 H 1 UNL1111 0.3224 39 H 2.1289 -1.1963 1.8462 H 1 UNL1111 0.1635 40 H 4.3331 -2.3934 1.8452 H 1 UNL1111 0.1725 41 H 6.3907 0.2432 0.5883 H 1 UNL1111 0.1675 42 H 8.6377 1.2806 0.7987 H 1 UNL1111 0.1487 43 H 10.6746 -0.0624 0.3553 H 1 UNL1111 0.1537 44 H 10.4851 -2.4438 -0.3037 H 1 UNL1111 0.1506 45 H 8.2297 -3.5001 -0.5310 H 1 UNL1111 0.1743 46 H 5.1951 -0.7966 -2.0641 H 1 UNL1111 0.1721 47 H 2.9842 0.3852 -2.0685 H 1 UNL1111 0.1679 48 H -0.3973 -1.1378 -0.0349 H 1 UNL1111 0.1773 49 H -0.3330 5.4118 -0.0390 H 1 UNL1111 0.1931 50 H -2.9185 1.8386 0.0065 H 1 UNL1111 0.1793 51 H -2.4288 -0.9086 1.3994 H 1 UNL1111 0.1467 52 H -2.5161 0.6617 2.2013 H 1 UNL1111 0.1540 53 H -4.7393 -0.5275 2.3114 H 1 UNL1111 0.1556 54 H -4.8717 0.9910 1.4275 H 1 UNL1111 0.1454 55 H -4.4663 -1.8217 0.1772 H 1 UNL1111 0.1362 56 H -4.8912 -0.6419 -2.0231 H 1 UNL1111 0.1431 57 H -4.9637 0.9179 -1.2030 H 1 UNL1111 0.1499 58 H -2.6716 0.5317 -2.1380 H 1 UNL1111 0.1548 59 H -2.5268 -0.9878 -1.2514 H 1 UNL1111 0.1465 60 H -6.7959 1.0294 0.7705 H 1 UNL1111 0.1372 61 H -7.1922 0.5851 -0.9227 H 1 UNL1111 0.1292 62 H -8.6880 -0.3509 1.6266 H 1 UNL1111 0.1269 63 H -9.2826 0.8211 0.4046 H 1 UNL1111 0.1359 64 H -11.1989 -0.5305 -0.1484 H 1 UNL1111 0.1462 65 H -10.9897 -2.2050 -0.6919 H 1 UNL1111 0.1461 66 H -10.7698 -1.7994 1.0361 H 1 UNL1111 0.1198 67 H -8.3857 -2.7878 0.8695 H 1 UNL1111 0.1269 68 H -8.7763 -3.1715 -0.8395 H 1 UNL1111 0.1355 69 H -6.8763 -1.7883 -1.6480 H 1 UNL1111 0.1279 70 H -6.2880 -2.9830 -0.4454 H 1 UNL1111 0.1331 @BOND 1 1 37 1 2 1 38 1 3 2 1 1 4 2 3 ar 5 3 4 ar 6 4 5 1 7 5 6 ar 8 6 7 ar 9 6 39 1 10 7 40 1 11 8 9 1 12 8 7 ar 13 9 10 1 14 10 11 ar 15 10 15 ar 16 11 12 ar 17 11 41 1 18 12 13 ar 19 12 42 1 20 13 43 1 21 14 13 ar 22 14 44 1 23 15 14 ar 24 15 45 1 25 16 8 ar 26 16 46 1 27 17 16 ar 28 17 5 ar 29 17 47 1 30 18 4 ar 31 18 48 1 32 19 18 ar 33 20 3 ar 34 20 19 ar 35 21 20 ar 36 22 23 ar 37 22 21 ar 38 22 49 1 39 23 2 ar 40 24 19 1 41 24 25 1 42 24 50 1 43 25 26 1 44 25 51 1 45 25 52 1 46 26 53 1 47 26 54 1 48 27 30 1 49 27 26 1 50 27 55 1 51 28 27 1 52 28 56 1 53 28 57 1 54 29 28 1 55 29 24 1 56 29 58 1 57 29 59 1 58 30 36 1 59 31 32 1 60 31 30 1 61 31 60 1 62 31 61 1 63 32 33 1 64 32 62 1 65 32 63 1 66 33 34 1 67 33 35 1 68 34 64 1 69 34 65 1 70 34 66 1 71 35 67 1 72 35 68 1 73 36 35 1 74 36 69 1 75 36 70 1