@MOLECULE 7-(1-methyl-4-piperidinyl)-5-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine 55 59 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.0505 1.5636 -1.2526 C.3 1 UNL11111 -0.3086 2 C -5.3019 2.4557 -1.1981 C.3 1 UNL11111 -0.1123 3 N -5.2616 3.2839 0.0337 N.3 1 UNL11111 -0.4032 4 C -6.3906 4.2381 0.0512 C.3 1 UNL11111 -0.2845 5 C -5.2897 2.4271 1.2459 C.3 1 UNL11111 -0.1118 6 C -4.0304 1.5456 1.2666 C.3 1 UNL11111 -0.3088 7 C -4.0083 0.6676 0.0005 C.3 1 UNL11111 0.0908 8 N -2.8042 -0.1620 -0.0162 N.ar 1 UNL11111 -0.2753 9 C -1.4783 0.2949 -0.0068 C.ar 1 UNL11111 -0.0557 10 C -2.7855 -1.5427 -0.0372 C.ar 1 UNL11111 0.3080 11 N -3.8616 -2.3815 -0.0555 N.ar 1 UNL11111 -0.5252 12 C -3.5475 -3.6867 -0.0887 C.ar 1 UNL11111 0.2955 13 N -2.2969 -4.2189 -0.1149 N.ar 1 UNL11111 -0.5857 14 C -1.2218 -3.3785 -0.0939 C.ar 1 UNL11111 0.4718 15 N 0.0118 -3.9617 -0.1096 N.pl3 1 UNL11111 -0.5810 16 C -1.4155 -1.9747 -0.0426 C.ar 1 UNL11111 -0.3173 17 C -0.6126 -0.7906 -0.0161 C.ar 1 UNL11111 -0.0649 18 C 0.8345 -0.7304 0.0165 C.ar 1 UNL11111 -0.0238 19 C 1.5285 -1.3249 1.0770 C.ar 1 UNL11111 -0.1252 20 C 2.9168 -1.2679 1.1252 C.ar 1 UNL11111 -0.2037 21 C 1.5305 -0.0718 -1.0039 C.ar 1 UNL11111 -0.1003 22 C 2.9193 -0.0053 -0.9714 C.ar 1 UNL11111 -0.2281 23 C 3.5857 -0.6058 0.0955 C.ar 1 UNL11111 0.2031 24 O 4.9623 -0.6798 0.1368 O.3 1 UNL11111 -0.3263 25 C 5.6555 0.5010 0.0510 C.ar 1 UNL11111 0.2425 26 C 5.1237 1.7442 0.3882 C.ar 1 UNL11111 -0.2755 27 C 5.9593 2.8575 0.3254 C.ar 1 UNL11111 -0.0823 28 C 7.2901 2.7209 -0.0650 C.ar 1 UNL11111 -0.2095 29 C 7.8006 1.4635 -0.3951 C.ar 1 UNL11111 -0.0872 30 C 6.9879 0.3370 -0.3426 C.ar 1 UNL11111 -0.2364 31 H -4.0581 0.9476 -2.1704 H 1 UNL11111 0.1529 32 H -3.1438 2.1971 -1.3059 H 1 UNL11111 0.1614 33 H -5.3023 3.1427 -2.0728 H 1 UNL11111 0.1397 34 H -6.2204 1.8354 -1.2727 H 1 UNL11111 0.1184 35 H -7.3861 3.7705 0.0564 H 1 UNL11111 0.1198 36 H -6.3016 4.8829 0.9415 H 1 UNL11111 0.1464 37 H -6.3182 4.8975 -0.8295 H 1 UNL11111 0.1460 38 H -5.2897 3.0916 2.1380 H 1 UNL11111 0.1401 39 H -6.2024 1.7971 1.3101 H 1 UNL11111 0.1183 40 H -3.1287 2.1873 1.3100 H 1 UNL11111 0.1622 41 H -4.0136 0.9192 2.1768 H 1 UNL11111 0.1532 42 H -4.8993 -0.0249 0.0026 H 1 UNL11111 0.1760 43 H -1.2503 1.3441 0.0150 H 1 UNL11111 0.1787 44 H -4.3812 -4.4084 -0.1021 H 1 UNL11111 0.1925 45 H 0.0946 -4.9569 -0.1901 H 1 UNL11111 0.3223 46 H 0.8382 -3.4028 -0.1810 H 1 UNL11111 0.3204 47 H 0.9723 -1.8190 1.8753 H 1 UNL11111 0.1667 48 H 3.4772 -1.7178 1.9415 H 1 UNL11111 0.1736 49 H 0.9795 0.3838 -1.8266 H 1 UNL11111 0.1629 50 H 3.4782 0.4968 -1.7572 H 1 UNL11111 0.1702 51 H 4.0878 1.8441 0.7007 H 1 UNL11111 0.1723 52 H 5.5670 3.8399 0.5861 H 1 UNL11111 0.1498 53 H 7.9343 3.5954 -0.1116 H 1 UNL11111 0.1532 54 H 8.8424 1.3639 -0.6980 H 1 UNL11111 0.1505 55 H 7.3635 -0.6510 -0.5953 H 1 UNL11111 0.1734 @BOND 1 1 2 1 2 1 7 1 3 1 31 1 4 1 32 1 5 2 3 1 6 2 33 1 7 2 34 1 8 3 5 1 9 4 3 1 10 4 35 1 11 4 36 1 12 4 37 1 13 5 6 1 14 5 38 1 15 5 39 1 16 6 40 1 17 6 41 1 18 7 8 1 19 7 6 1 20 7 42 1 21 8 9 ar 22 9 17 ar 23 9 43 1 24 10 8 ar 25 10 16 ar 26 11 10 ar 27 12 11 ar 28 12 13 ar 29 12 44 1 30 13 14 ar 31 14 16 ar 32 14 15 1 33 15 45 1 34 15 46 1 35 16 17 ar 36 17 18 1 37 18 21 ar 38 19 20 ar 39 19 18 ar 40 19 47 1 41 20 23 ar 42 20 48 1 43 21 22 ar 44 21 49 1 45 22 50 1 46 23 24 1 47 23 22 ar 48 24 25 1 49 25 26 ar 50 25 30 ar 51 26 27 ar 52 26 51 1 53 27 28 ar 54 27 52 1 55 28 53 1 56 29 28 ar 57 29 54 1 58 30 29 ar 59 30 55 1