@MOLECULE 2-({6-[(3-chlorophenyl)amino]-9-isopropyl-9h-purin-2-yl}amino)ethanol 43 45 0 0 0 SMALL GASTEIGER @ATOM 1 CL 4.9550 -0.5951 -0.6657 Cl 1 UNL11 -0.0985 2 O 1.0686 -4.4640 1.5073 O.3 1 UNL11 -0.5399 3 N -3.9005 0.6498 -0.0406 N.ar 1 UNL11 -0.3463 4 N -2.4505 2.3948 0.1823 N.ar 1 UNL11 -0.3356 5 N -2.2557 -1.1872 -0.2317 N.ar 1 UNL11 -0.5929 6 N 0.5675 1.9511 0.1333 N.pl3 1 UNL11 -0.4538 7 N 0.0636 -0.3675 -0.1158 N.ar 1 UNL11 -0.6203 8 N -0.4631 -2.6603 -0.2497 N.pl3 1 UNL11 -0.4930 9 C -5.1570 -0.0978 -0.1520 C.3 1 UNL11 0.1369 10 C -2.6294 0.1054 -0.0877 C.ar 1 UNL11 0.3292 11 C -1.7230 1.2136 0.0513 C.ar 1 UNL11 -0.2486 12 C -5.9098 0.3424 -1.4134 C.3 1 UNL11 -0.4760 13 C -6.0028 0.1215 1.1078 C.3 1 UNL11 -0.4759 14 C -3.7337 2.0507 0.1256 C.ar 1 UNL11 0.1208 15 C -0.3331 0.9163 0.0228 C.ar 1 UNL11 0.5002 16 C -0.8948 -1.3585 -0.2126 C.ar 1 UNL11 0.5691 17 C 1.9724 1.8714 0.1537 C.ar 1 UNL11 0.2524 18 C 0.9646 -2.9703 -0.4113 C.3 1 UNL11 -0.1151 19 C 1.2154 -4.3955 0.1051 C.3 1 UNL11 -0.0221 20 C 2.6952 0.7430 -0.2540 C.ar 1 UNL11 -0.2380 21 C 2.6595 3.0253 0.5888 C.ar 1 UNL11 -0.2569 22 C 4.0785 0.7999 -0.1895 C.ar 1 UNL11 0.0810 23 C 4.0478 3.0380 0.6253 C.ar 1 UNL11 -0.0751 24 C 4.7824 1.9158 0.2369 C.ar 1 UNL11 -0.2331 25 H -4.8868 -1.1920 -0.2379 H 1 UNL11 0.1738 26 H -6.1910 1.4003 -1.3811 H 1 UNL11 0.1534 27 H -6.8288 -0.2414 -1.5422 H 1 UNL11 0.1590 28 H -5.2970 0.1932 -2.3130 H 1 UNL11 0.1645 29 H -5.4515 -0.1725 2.0116 H 1 UNL11 0.1654 30 H -6.9175 -0.4819 1.0716 H 1 UNL11 0.1594 31 H -6.3016 1.1676 1.2316 H 1 UNL11 0.1529 32 H -4.5746 2.7202 0.1950 H 1 UNL11 0.1920 33 H 0.1458 2.8767 0.2801 H 1 UNL11 0.3446 34 H -1.1365 -3.3732 -0.5085 H 1 UNL11 0.3253 35 H 1.5763 -2.2412 0.1831 H 1 UNL11 0.1928 36 H 1.2830 -2.8608 -1.4711 H 1 UNL11 0.1469 37 H 2.2626 -4.7095 -0.0676 H 1 UNL11 0.1482 38 H 0.5323 -5.1394 -0.3430 H 1 UNL11 0.1182 39 H 2.1872 -0.1560 -0.6154 H 1 UNL11 0.2164 40 H 2.1036 3.9063 0.9035 H 1 UNL11 0.1656 41 H 4.5716 3.9316 0.9661 H 1 UNL11 0.1540 42 H 5.8688 1.9260 0.2729 H 1 UNL11 0.1709 43 H 0.3549 -3.8536 1.7956 H 1 UNL11 0.3283 @BOND 1 1 22 1 2 2 19 1 3 2 43 1 4 3 9 1 5 3 10 ar 6 3 14 ar 7 4 11 ar 8 4 14 ar 9 5 10 ar 10 5 16 ar 11 6 15 1 12 6 17 1 13 6 33 1 14 7 15 ar 15 7 16 ar 16 8 16 1 17 8 18 1 18 8 34 1 19 9 12 1 20 9 13 1 21 9 25 1 22 10 11 ar 23 11 15 ar 24 12 26 1 25 12 27 1 26 12 28 1 27 13 29 1 28 13 30 1 29 13 31 1 30 14 32 1 31 17 20 ar 32 17 21 ar 33 18 19 1 34 18 35 1 35 18 36 1 36 19 37 1 37 19 38 1 38 20 22 ar 39 20 39 1 40 21 23 ar 41 21 40 1 42 22 24 ar 43 23 24 ar 44 23 41 1 45 24 42 1