@MOLECULE (7r)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-4-yl)-1h-imidazol-1-yl]-7,8-dihydro-6(5h)-pteridinone 52 56 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.0588 -2.8616 0.5761 O.2 1 UNL111111111 -0.4998 2 C 3.2139 -2.0785 0.2037 C.2 1 UNL111111111 0.5514 3 N 1.9163 -2.5006 -0.0446 N.am 1 UNL111111111 -0.4099 4 C 1.5469 -3.8996 0.1815 C.3 1 UNL111111111 -0.2288 5 C 0.9103 -1.5754 -0.3519 C.ar 1 UNL111111111 -0.0492 6 C 3.5518 -0.6046 -0.0746 C.3 1 UNL111111111 -0.0061 7 C 3.9888 -0.4701 -1.5500 C.3 1 UNL111111111 -0.2893 8 C 5.3652 -1.0866 -1.7673 C.3 1 UNL111111111 -0.4374 9 N 2.4101 0.2593 0.2556 N.pl3 1 UNL111111111 -0.4288 10 C 2.6328 1.7198 0.4089 C.3 1 UNL111111111 0.1105 11 C 4.0579 2.0824 0.8799 C.3 1 UNL111111111 -0.2994 12 C 3.8872 3.4668 1.5258 C.3 1 UNL111111111 -0.2633 13 C 2.4590 3.4931 2.1069 C.3 1 UNL111111111 -0.2618 14 C 1.7089 2.2883 1.5161 C.3 1 UNL111111111 -0.2771 15 C 1.1894 -0.1647 -0.2367 C.ar 1 UNL111111111 0.3765 16 N 0.2359 0.7518 -0.5235 N.ar 1 UNL111111111 -0.5146 17 C -0.9977 0.2824 -0.8588 C.ar 1 UNL111111111 0.4989 18 N -1.3312 -1.0160 -1.0210 N.ar 1 UNL111111111 -0.4429 19 C -0.3740 -1.9358 -0.7650 C.ar 1 UNL111111111 0.0683 20 N -1.9941 1.2538 -1.0826 N.ar 1 UNL111111111 -0.2421 21 C -1.8103 2.4554 -1.7761 C.ar 1 UNL111111111 -0.0825 22 C -3.0570 3.0718 -1.8041 C.ar 1 UNL111111111 -0.0731 23 N -3.9866 2.2869 -1.1304 N.ar 1 UNL111111111 -0.3669 24 C -3.3460 1.1950 -0.6864 C.ar 1 UNL111111111 0.2375 25 C -3.9167 0.1350 0.1197 C.ar 1 UNL111111111 0.1096 26 C -5.0994 -0.5141 -0.1240 C.ar 1 UNL111111111 -0.2845 27 S -5.3786 -1.7010 1.1075 S.2 1 UNL111111111 0.1898 28 C -3.8541 -1.2352 1.8977 C.ar 1 UNL111111111 -0.0506 29 N -3.2255 -0.2773 1.2706 N.ar 1 UNL111111111 -0.3323 30 H 1.2637 -4.3833 -0.7700 H 1 UNL111111111 0.1480 31 H 2.4072 -4.4615 0.6010 H 1 UNL111111111 0.1825 32 H 0.7130 -3.9797 0.9012 H 1 UNL111111111 0.1510 33 H 4.4095 -0.3366 0.6064 H 1 UNL111111111 0.1901 34 H 3.2423 -0.9448 -2.2169 H 1 UNL111111111 0.1538 35 H 4.0014 0.6006 -1.8365 H 1 UNL111111111 0.1553 36 H 5.6366 -1.0871 -2.8297 H 1 UNL111111111 0.1494 37 H 6.1485 -0.5428 -1.2269 H 1 UNL111111111 0.1474 38 H 5.4020 -2.1310 -1.4221 H 1 UNL111111111 0.1666 39 H 2.4120 2.2271 -0.5663 H 1 UNL111111111 0.1447 40 H 4.4264 1.3620 1.6332 H 1 UNL111111111 0.1513 41 H 4.7837 2.0948 0.0553 H 1 UNL111111111 0.1359 42 H 4.6455 3.6454 2.3030 H 1 UNL111111111 0.1342 43 H 4.0184 4.2663 0.7777 H 1 UNL111111111 0.1332 44 H 2.4792 3.4385 3.2074 H 1 UNL111111111 0.1354 45 H 1.9500 4.4382 1.8571 H 1 UNL111111111 0.1358 46 H 0.7239 2.5744 1.1058 H 1 UNL111111111 0.1678 47 H 1.5030 1.5245 2.2859 H 1 UNL111111111 0.1560 48 H -0.6828 -2.9793 -0.9052 H 1 UNL111111111 0.1921 49 H -0.8555 2.7500 -2.1634 H 1 UNL111111111 0.1906 50 H -3.3516 4.0043 -2.2452 H 1 UNL111111111 0.1824 51 H -5.7735 -0.3346 -0.9457 H 1 UNL111111111 0.2027 52 H -3.4925 -1.6976 2.8065 H 1 UNL111111111 0.1917 @BOND 1 1 2 2 2 2 6 1 3 3 5 1 4 3 2 am 5 4 3 1 6 4 30 1 7 4 31 1 8 4 32 1 9 5 15 ar 10 6 9 1 11 6 33 1 12 7 6 1 13 7 34 1 14 7 35 1 15 8 7 1 16 8 36 1 17 8 37 1 18 8 38 1 19 9 10 1 20 10 14 1 21 10 39 1 22 11 12 1 23 11 10 1 24 11 40 1 25 11 41 1 26 12 13 1 27 12 42 1 28 12 43 1 29 13 14 1 30 13 44 1 31 13 45 1 32 14 46 1 33 14 47 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 48 1 42 20 24 ar 43 21 22 ar 44 21 20 ar 45 21 49 1 46 22 23 ar 47 22 50 1 48 23 24 ar 49 24 25 1 50 25 29 ar 51 25 26 ar 52 26 27 ar 53 26 51 1 54 28 27 ar 55 28 52 1 56 29 28 ar