@MOLECULE 9-cyclopentyl-6-[2-(3-imidazol-1-yl-propoxy)-phenylamino]-9h-purine-2-carbonitrile 56 60 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.9125 1.0518 -1.8307 C.ar 1 UNL1111 0.1579 2 N -0.5943 0.8477 -1.9135 N.ar 1 UNL1111 -0.3713 3 C -0.3304 -0.2842 -1.1531 C.ar 1 UNL1111 -0.1733 4 C -1.5587 -0.7790 -0.5876 C.ar 1 UNL1111 0.2574 5 N -2.5504 0.0803 -1.0292 N.ar 1 UNL1111 -0.3044 6 C 0.8690 -0.9641 -0.8019 C.ar 1 UNL1111 0.4395 7 N -1.6257 -1.8606 0.2363 N.ar 1 UNL1111 -0.4422 8 N 0.7943 -2.0335 0.0337 N.ar 1 UNL1111 -0.5233 9 C -0.4306 -2.4240 0.4917 C.ar 1 UNL1111 0.3812 10 N 2.0747 -0.5499 -1.3101 N.pl3 1 UNL1111 -0.4232 11 C -3.9811 0.0327 -0.7142 C.3 1 UNL1111 0.1028 12 C -4.6524 -1.1751 -1.4174 C.3 1 UNL1111 -0.2943 13 C -5.5456 -1.8338 -0.3552 C.3 1 UNL1111 -0.2547 14 C -4.8713 -1.5151 0.9883 C.3 1 UNL1111 -0.2529 15 C -4.2320 -0.1309 0.8052 C.3 1 UNL1111 -0.2841 16 N -0.4350 -4.4935 2.0564 N.1 1 UNL1111 -0.1921 17 C 3.3041 -0.8409 -0.6638 C.ar 1 UNL1111 0.1084 18 C 3.6908 -2.1412 -0.3310 C.ar 1 UNL1111 -0.1156 19 C 4.9302 -2.3551 0.2693 C.ar 1 UNL1111 -0.1514 20 C 5.7888 -1.2897 0.5359 C.ar 1 UNL1111 -0.1381 21 C 5.4155 0.0134 0.2110 C.ar 1 UNL1111 -0.2036 22 C 4.1766 0.2290 -0.3817 C.ar 1 UNL1111 0.1434 23 O 3.8266 1.4867 -0.8141 O.3 1 UNL1111 -0.3693 24 C 3.3215 2.3435 0.2090 C.3 1 UNL1111 -0.0234 25 C -0.4305 -3.5706 1.3615 C.1 1 UNL1111 0.1370 26 C 1.8103 2.1511 0.3261 C.3 1 UNL1111 -0.3555 27 C 1.1676 3.2938 1.1274 C.3 1 UNL1111 -0.0756 28 N -0.2833 3.2163 1.0408 N.ar 1 UNL1111 -0.2541 29 C -1.0612 3.5698 -0.0599 C.ar 1 UNL1111 0.0770 30 N -2.3553 3.3021 0.1902 N.ar 1 UNL1111 -0.4042 31 C -2.4199 2.7611 1.4655 C.ar 1 UNL1111 -0.0785 32 C -1.1350 2.6881 2.0074 C.ar 1 UNL1111 -0.1394 33 H -2.4555 1.8710 -2.2862 H 1 UNL1111 0.2110 34 H 2.0583 0.3117 -1.8718 H 1 UNL1111 0.3445 35 H -4.4283 0.9974 -1.0710 H 1 UNL1111 0.1513 36 H -3.8918 -1.8953 -1.7743 H 1 UNL1111 0.1603 37 H -5.2225 -0.8614 -2.3033 H 1 UNL1111 0.1381 38 H -5.6372 -2.9193 -0.5175 H 1 UNL1111 0.1395 39 H -6.5683 -1.4240 -0.3892 H 1 UNL1111 0.1299 40 H -5.5807 -1.5370 1.8269 H 1 UNL1111 0.1317 41 H -4.0889 -2.2678 1.2131 H 1 UNL1111 0.1630 42 H -4.9005 0.6689 1.1651 H 1 UNL1111 0.1431 43 H -3.3005 -0.0407 1.3905 H 1 UNL1111 0.1591 44 H 3.0155 -2.9790 -0.5296 H 1 UNL1111 0.1938 45 H 5.2277 -3.3695 0.5328 H 1 UNL1111 0.1582 46 H 6.7554 -1.4737 1.0013 H 1 UNL1111 0.1518 47 H 6.0777 0.8526 0.4080 H 1 UNL1111 0.1633 48 H 3.8444 2.1745 1.1643 H 1 UNL1111 0.1299 49 H 3.5883 3.3422 -0.1896 H 1 UNL1111 0.1454 50 H 1.3587 2.1030 -0.6910 H 1 UNL1111 0.1848 51 H 1.5765 1.1754 0.7956 H 1 UNL1111 0.1653 52 H 1.4822 3.2484 2.1960 H 1 UNL1111 0.1570 53 H 1.5022 4.2841 0.7353 H 1 UNL1111 0.1530 54 H -0.6641 3.9906 -0.9669 H 1 UNL1111 0.1910 55 H -3.3580 2.4769 1.8984 H 1 UNL1111 0.1765 56 H -0.7944 2.3252 2.9527 H 1 UNL1111 0.1786 @BOND 1 1 2 ar 2 1 5 ar 3 1 33 1 4 2 3 ar 5 3 4 ar 6 3 6 ar 7 4 5 ar 8 4 7 ar 9 5 11 1 10 6 8 ar 11 6 10 1 12 7 9 ar 13 8 9 ar 14 9 25 1 15 10 17 1 16 10 34 1 17 11 12 1 18 11 15 1 19 11 35 1 20 12 13 1 21 12 36 1 22 12 37 1 23 13 14 1 24 13 38 1 25 13 39 1 26 14 15 1 27 14 40 1 28 14 41 1 29 15 42 1 30 15 43 1 31 16 25 3 32 17 18 ar 33 17 22 ar 34 18 19 ar 35 18 44 1 36 19 20 ar 37 19 45 1 38 20 21 ar 39 20 46 1 40 21 22 ar 41 21 47 1 42 22 23 1 43 23 24 1 44 24 26 1 45 24 48 1 46 24 49 1 47 26 27 1 48 26 50 1 49 26 51 1 50 27 28 1 51 27 52 1 52 27 53 1 53 28 29 ar 54 28 32 ar 55 29 30 ar 56 29 54 1 57 30 31 ar 58 31 32 ar 59 31 55 1 60 32 56 1