@MOLECULE 1-[4-(4-amino-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea 55 59 0 0 0 SMALL GASTEIGER @ATOM 1 C 5.4436 2.6377 1.1414 C.3 1 UNL1111 -0.2952 2 C 4.7434 3.8716 0.5568 C.3 1 UNL1111 -0.2618 3 C 4.9990 3.8515 -0.9621 C.3 1 UNL1111 -0.2634 4 C 5.5728 2.4696 -1.3178 C.3 1 UNL1111 -0.2973 5 C 5.5891 1.6286 -0.0201 C.3 1 UNL1111 0.0955 6 N 4.4942 0.6600 -0.0109 N.ar 1 UNL1111 -0.2754 7 C 3.1346 0.9401 -0.2185 C.ar 1 UNL1111 -0.0519 8 C 4.6245 -0.6938 0.2271 C.ar 1 UNL1111 0.3020 9 N 5.7745 -1.3833 0.4824 N.ar 1 UNL1111 -0.5251 10 C 5.5997 -2.6996 0.6832 C.ar 1 UNL1111 0.2953 11 N 4.4197 -3.3756 0.6619 N.ar 1 UNL1111 -0.5872 12 C 3.2717 -2.6852 0.4033 C.ar 1 UNL1111 0.4745 13 N 2.1107 -3.4027 0.3781 N.pl3 1 UNL1111 -0.5840 14 C 3.3195 -1.2893 0.1626 C.ar 1 UNL1111 -0.3168 15 C 2.3993 -0.2324 -0.1257 C.ar 1 UNL1111 -0.0669 16 C 0.9687 -0.3788 -0.3016 C.ar 1 UNL1111 -0.0460 17 C 0.4716 -1.0529 -1.4212 C.ar 1 UNL1111 -0.1005 18 C -0.8967 -1.2114 -1.5932 C.ar 1 UNL1111 -0.2602 19 C 0.0836 0.1420 0.6457 C.ar 1 UNL1111 -0.0902 20 C -1.2892 -0.0132 0.4898 C.ar 1 UNL1111 -0.2132 21 C -1.7829 -0.6878 -0.6335 C.ar 1 UNL1111 0.2313 22 N -3.1623 -0.9214 -0.8490 N.am 1 UNL1111 -0.5929 23 C -4.1760 -0.1912 -0.2082 C.2 1 UNL1111 0.7253 24 O -3.9633 0.6639 0.6205 O.2 1 UNL1111 -0.5087 25 N -5.4642 -0.5581 -0.6330 N.am 1 UNL1111 -0.5950 26 C -6.6407 0.0489 -0.1283 C.ar 1 UNL1111 0.2352 27 C -6.6417 1.3115 0.4770 C.ar 1 UNL1111 -0.2133 28 C -7.8462 1.8577 0.9096 C.ar 1 UNL1111 -0.0953 29 C -9.0443 1.1667 0.7385 C.ar 1 UNL1111 -0.2006 30 C -9.0387 -0.0864 0.1284 C.ar 1 UNL1111 -0.0922 31 C -7.8459 -0.6540 -0.3057 C.ar 1 UNL1111 -0.2615 32 H 6.4418 2.8979 1.5346 H 1 UNL1111 0.1474 33 H 4.8857 2.2078 1.9900 H 1 UNL1111 0.1560 34 H 3.6608 3.8436 0.7710 H 1 UNL1111 0.1377 35 H 5.1188 4.8002 1.0148 H 1 UNL1111 0.1345 36 H 4.0693 4.0509 -1.5199 H 1 UNL1111 0.1358 37 H 5.7019 4.6504 -1.2511 H 1 UNL1111 0.1347 38 H 4.9843 1.9770 -2.1110 H 1 UNL1111 0.1559 39 H 6.5973 2.5587 -1.7176 H 1 UNL1111 0.1464 40 H 6.5486 1.0502 0.0726 H 1 UNL1111 0.1712 41 H 2.8020 1.9407 -0.4231 H 1 UNL1111 0.1808 42 H 6.4986 -3.3030 0.8923 H 1 UNL1111 0.1917 43 H 2.1190 -4.3802 0.5935 H 1 UNL1111 0.3210 44 H 1.2313 -2.9404 0.2618 H 1 UNL1111 0.3205 45 H 1.1658 -1.4470 -2.1650 H 1 UNL1111 0.1624 46 H -1.2726 -1.7273 -2.4717 H 1 UNL1111 0.1541 47 H 0.4743 0.6679 1.5182 H 1 UNL1111 0.1632 48 H -1.9648 0.3942 1.2454 H 1 UNL1111 0.1970 49 H -3.3971 -1.5414 -1.6154 H 1 UNL1111 0.3118 50 H -5.5954 -1.4100 -1.1655 H 1 UNL1111 0.3120 51 H -5.7147 1.8715 0.6158 H 1 UNL1111 0.1954 52 H -7.8482 2.8382 1.3861 H 1 UNL1111 0.1520 53 H -9.9794 1.6028 1.0794 H 1 UNL1111 0.1526 54 H -9.9740 -0.6278 -0.0081 H 1 UNL1111 0.1478 55 H -7.8533 -1.6335 -0.7738 H 1 UNL1111 0.1536 @BOND 1 1 5 1 2 1 2 1 3 1 32 1 4 1 33 1 5 2 3 1 6 2 34 1 7 2 35 1 8 3 36 1 9 3 37 1 10 4 3 1 11 4 38 1 12 4 39 1 13 5 6 1 14 5 4 1 15 5 40 1 16 6 7 ar 17 7 15 ar 18 7 41 1 19 8 6 ar 20 8 14 ar 21 9 8 ar 22 10 9 ar 23 10 11 ar 24 10 42 1 25 11 12 ar 26 12 14 ar 27 12 13 1 28 13 43 1 29 13 44 1 30 14 15 ar 31 15 16 1 32 16 19 ar 33 17 16 ar 34 17 18 ar 35 17 45 1 36 18 21 ar 37 18 46 1 38 19 20 ar 39 19 47 1 40 20 48 1 41 21 20 ar 42 21 22 1 43 22 49 1 44 23 22 am 45 23 25 am 46 24 23 2 47 25 26 1 48 25 50 1 49 26 27 ar 50 26 31 ar 51 27 28 ar 52 27 51 1 53 28 29 ar 54 28 52 1 55 29 53 1 56 30 29 ar 57 30 54 1 58 31 30 ar 59 31 55 1