@MOLECULE n2-[(1r,2s)-2-aminocyclohexyl]-n6-(3-chlorophenyl)-9-ethyl-9h-purine-2,6-diamine 51 54 0 0 0 SMALL GASTEIGER @ATOM 1 CL -4.6755 -0.2884 0.9408 Cl 1 UNL1111111111 -0.0931 2 N 0.8348 2.0254 0.2939 N.pl3 1 UNL1111111111 -0.4936 3 N -0.3728 3.8820 2.1430 N.3 1 UNL1111111111 -0.6621 4 N 2.6005 0.5309 0.2952 N.ar 1 UNL1111111111 -0.5984 5 N 0.2767 -0.2724 0.1092 N.ar 1 UNL1111111111 -0.6149 6 N 4.2188 -1.3320 0.4012 N.ar 1 UNL1111111111 -0.3343 7 N 2.7751 -3.0716 0.1149 N.ar 1 UNL1111111111 -0.3323 8 N -0.2182 -2.5973 -0.1211 N.pl3 1 UNL1111111111 -0.4647 9 C -0.5849 2.3991 0.1776 C.3 1 UNL1111111111 0.0968 10 C -0.8139 3.8368 0.7381 C.3 1 UNL1111111111 0.0325 11 C -1.0800 2.3391 -1.2795 C.3 1 UNL1111111111 -0.3103 12 C -0.1624 4.9198 -0.1533 C.3 1 UNL1111111111 -0.3337 13 C -0.4239 3.4117 -2.1527 C.3 1 UNL1111111111 -0.2634 14 C -0.7018 4.8083 -1.5846 C.3 1 UNL1111111111 -0.2650 15 C 1.2390 0.7193 0.2200 C.ar 1 UNL1111111111 0.5772 16 C 2.9603 -0.7708 0.2774 C.ar 1 UNL1111111111 0.3374 17 C 2.0550 -1.8784 0.1294 C.ar 1 UNL1111111111 -0.2594 18 C 0.6739 -1.5626 0.0475 C.ar 1 UNL1111111111 0.5020 19 C 5.4698 -0.5956 0.5231 C.3 1 UNL1111111111 -0.0399 20 C 4.0517 -2.7366 0.2716 C.ar 1 UNL1111111111 0.1107 21 C 6.0450 -0.2639 -0.8559 C.3 1 UNL1111111111 -0.4640 22 C -1.6183 -2.5049 -0.2338 C.ar 1 UNL1111111111 0.2474 23 C -2.3711 -1.4883 0.3669 C.ar 1 UNL1111111111 -0.2217 24 C -2.2577 -3.5389 -0.9436 C.ar 1 UNL1111111111 -0.2537 25 C -3.7494 -1.5399 0.2264 C.ar 1 UNL1111111111 0.0725 26 C -3.6415 -3.5504 -1.0522 C.ar 1 UNL1111111111 -0.0814 27 C -4.4133 -2.5454 -0.4632 C.ar 1 UNL1111111111 -0.2314 28 H -1.1802 1.6749 0.8079 H 1 UNL1111111111 0.1796 29 H -1.9253 4.0114 0.7446 H 1 UNL1111111111 0.1515 30 H -2.1806 2.4533 -1.2946 H 1 UNL1111111111 0.1489 31 H -0.8834 1.3300 -1.6942 H 1 UNL1111111111 0.1675 32 H 0.9373 4.8324 -0.1517 H 1 UNL1111111111 0.1365 33 H -0.3798 5.9226 0.2588 H 1 UNL1111111111 0.1368 34 H -0.8020 3.3319 -3.1883 H 1 UNL1111111111 0.1365 35 H 0.6682 3.2385 -2.2202 H 1 UNL1111111111 0.1401 36 H -0.2457 5.5825 -2.2268 H 1 UNL1111111111 0.1332 37 H -1.7905 5.0116 -1.5955 H 1 UNL1111111111 0.1385 38 H 1.5315 2.7448 0.1261 H 1 UNL1111111111 0.3226 39 H -0.4170 4.8044 2.5381 H 1 UNL1111111111 0.2519 40 H 0.5501 3.4933 2.2642 H 1 UNL1111111111 0.2629 41 H 5.2691 0.3468 1.0969 H 1 UNL1111111111 0.1719 42 H 6.1905 -1.1994 1.1212 H 1 UNL1111111111 0.1440 43 H 4.8849 -3.4166 0.3044 H 1 UNL1111111111 0.1910 44 H 0.2057 -3.5246 -0.2504 H 1 UNL1111111111 0.3452 45 H 6.2363 -1.1685 -1.4438 H 1 UNL1111111111 0.1533 46 H 6.9860 0.2899 -0.7678 H 1 UNL1111111111 0.1550 47 H 5.3477 0.3589 -1.4345 H 1 UNL1111111111 0.1699 48 H -1.8827 -0.6822 0.9238 H 1 UNL1111111111 0.2167 49 H -1.6688 -4.3250 -1.4155 H 1 UNL1111111111 0.1663 50 H -4.1282 -4.3503 -1.6062 H 1 UNL1111111111 0.1527 51 H -5.4914 -2.5619 -0.5490 H 1 UNL1111111111 0.1684 @BOND 1 1 25 1 2 2 9 1 3 2 15 1 4 2 38 1 5 3 10 1 6 3 39 1 7 3 40 1 8 4 15 ar 9 4 16 ar 10 5 15 ar 11 5 18 ar 12 6 16 ar 13 6 19 1 14 6 20 ar 15 7 17 ar 16 7 20 ar 17 8 18 1 18 8 22 1 19 8 44 1 20 9 10 1 21 9 11 1 22 9 28 1 23 10 12 1 24 10 29 1 25 11 13 1 26 11 30 1 27 11 31 1 28 12 14 1 29 12 32 1 30 12 33 1 31 13 14 1 32 13 34 1 33 13 35 1 34 14 36 1 35 14 37 1 36 16 17 ar 37 17 18 ar 38 19 21 1 39 19 41 1 40 19 42 1 41 20 43 1 42 21 45 1 43 21 46 1 44 21 47 1 45 22 23 ar 46 22 24 ar 47 23 25 ar 48 23 48 1 49 24 26 ar 50 24 49 1 51 25 27 ar 52 26 27 ar 53 26 50 1 54 27 51 1