@MOLECULE (7r)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenyl-1h-imidazol-1-yl)-7,8-dihydro-6(5h)-pteridinone 56 60 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.9207 -3.0630 0.5588 O.2 1 UNL1111111111 -0.5009 2 C 3.0698 -2.2463 0.2846 C.2 1 UNL1111111111 0.5511 3 N 1.7244 -2.5487 0.4218 N.am 1 UNL1111111111 -0.4091 4 C 1.3176 -3.8590 0.9344 C.3 1 UNL1111111111 -0.2275 5 C 0.7476 -1.5640 0.2213 C.ar 1 UNL1111111111 -0.0666 6 C 3.4374 -0.8669 -0.2866 C.3 1 UNL1111111111 -0.0048 7 C 3.4894 -0.9716 -1.8269 C.3 1 UNL1111111111 -0.2885 8 C 4.7220 -1.7478 -2.2735 C.3 1 UNL1111111111 -0.4371 9 N 2.4876 0.1552 0.1754 N.pl3 1 UNL1111111111 -0.4315 10 C 2.8540 1.5879 0.0473 C.3 1 UNL1111111111 0.1114 11 C 2.3493 2.3766 1.2824 C.3 1 UNL1111111111 -0.2781 12 C 3.2984 3.5787 1.4178 C.3 1 UNL1111111111 -0.2605 13 C 4.4961 3.3162 0.4814 C.3 1 UNL1111111111 -0.2634 14 C 4.3755 1.8506 0.0316 C.3 1 UNL1111111111 -0.2973 15 C 1.1533 -0.1886 0.0618 C.ar 1 UNL1111111111 0.3847 16 N 0.2333 0.7855 -0.1213 N.ar 1 UNL1111111111 -0.5445 17 C -1.0836 0.4189 -0.1226 C.ar 1 UNL1111111111 0.5031 18 N -1.5385 -0.8473 0.0076 N.ar 1 UNL1111111111 -0.4642 19 C -0.6221 -1.8267 0.1735 C.ar 1 UNL1111111111 0.0816 20 N -2.0081 1.4586 -0.2911 N.ar 1 UNL1111111111 -0.2856 21 C -1.6455 2.7968 -0.5536 C.ar 1 UNL1111111111 -0.0827 22 C -2.8311 3.4900 -0.7140 C.ar 1 UNL1111111111 -0.0723 23 N -3.9122 2.6183 -0.5587 N.ar 1 UNL1111111111 -0.3757 24 C -3.4289 1.4016 -0.3047 C.ar 1 UNL1111111111 0.2541 25 C -4.2202 0.2007 -0.0625 C.ar 1 UNL1111111111 -0.0142 26 C -4.2386 -0.3815 1.2074 C.ar 1 UNL1111111111 -0.0950 27 C -5.0135 -1.5170 1.4299 C.ar 1 UNL1111111111 -0.1546 28 C -5.7674 -2.0625 0.3915 C.ar 1 UNL1111111111 -0.1286 29 C -5.7492 -1.4763 -0.8731 C.ar 1 UNL1111111111 -0.1556 30 C -4.9750 -0.3416 -1.1048 C.ar 1 UNL1111111111 -0.1043 31 H 0.7633 -4.4216 0.1623 H 1 UNL1111111111 0.1488 32 H 2.2111 -4.4575 1.2093 H 1 UNL1111111111 0.1828 33 H 0.6932 -3.7561 1.8392 H 1 UNL1111111111 0.1502 34 H 4.4585 -0.6119 0.1175 H 1 UNL1111111111 0.1897 35 H 2.5680 -1.4530 -2.2106 H 1 UNL1111111111 0.1552 36 H 3.4962 0.0441 -2.2701 H 1 UNL1111111111 0.1556 37 H 4.7099 -1.9250 -3.3555 H 1 UNL1111111111 0.1500 38 H 5.6504 -1.2157 -2.0368 H 1 UNL1111111111 0.1467 39 H 4.7812 -2.7321 -1.7846 H 1 UNL1111111111 0.1668 40 H 2.3874 2.0021 -0.8854 H 1 UNL1111111111 0.1487 41 H 1.2992 2.6885 1.1555 H 1 UNL1111111111 0.1584 42 H 2.3732 1.7424 2.1852 H 1 UNL1111111111 0.1529 43 H 2.7881 4.5182 1.1493 H 1 UNL1111111111 0.1356 44 H 3.6306 3.6992 2.4615 H 1 UNL1111111111 0.1347 45 H 4.4680 3.9956 -0.3868 H 1 UNL1111111111 0.1343 46 H 5.4553 3.5038 0.9873 H 1 UNL1111111111 0.1347 47 H 4.9047 1.1955 0.7476 H 1 UNL1111111111 0.1508 48 H 4.8218 1.6806 -0.9580 H 1 UNL1111111111 0.1382 49 H -1.0393 -2.8378 0.2710 H 1 UNL1111111111 0.1942 50 H -0.6188 3.1066 -0.5988 H 1 UNL1111111111 0.1960 51 H -3.0023 4.5278 -0.9246 H 1 UNL1111111111 0.1810 52 H -3.6422 0.0458 2.0117 H 1 UNL1111111111 0.1557 53 H -5.0277 -1.9783 2.4144 H 1 UNL1111111111 0.1479 54 H -6.3719 -2.9489 0.5688 H 1 UNL1111111111 0.1397 55 H -6.3379 -1.9038 -1.6810 H 1 UNL1111111111 0.1473 56 H -4.9574 0.1254 -2.0889 H 1 UNL1111111111 0.1605 @BOND 1 1 2 2 2 2 6 1 3 3 5 1 4 3 2 am 5 4 3 1 6 4 31 1 7 4 32 1 8 4 33 1 9 5 15 ar 10 6 9 1 11 6 34 1 12 7 6 1 13 7 35 1 14 7 36 1 15 8 7 1 16 8 37 1 17 8 38 1 18 8 39 1 19 9 10 1 20 10 11 1 21 10 40 1 22 11 12 1 23 11 41 1 24 11 42 1 25 12 43 1 26 12 44 1 27 13 12 1 28 13 45 1 29 13 46 1 30 14 13 1 31 14 10 1 32 14 47 1 33 14 48 1 34 15 16 ar 35 15 9 1 36 17 20 1 37 17 16 ar 38 18 17 ar 39 19 18 ar 40 19 5 ar 41 19 49 1 42 20 24 ar 43 21 22 ar 44 21 20 ar 45 21 50 1 46 22 23 ar 47 22 51 1 48 23 24 ar 49 24 25 1 50 25 26 ar 51 25 30 ar 52 26 27 ar 53 26 52 1 54 27 28 ar 55 27 53 1 56 28 54 1 57 29 28 ar 58 29 55 1 59 30 29 ar 60 30 56 1