@MOLECULE 1-{[6-amino-8-(3-fluorophenyl)-9-methyl-9h-purin-2-yl]ethynyl}cyclopentanol 44 47 0 0 0 SMALL GASTEIGER @ATOM 1 F 6.7407 1.1055 -2.0098 F 1 UNL1111 -0.1665 2 O -5.8689 1.3650 1.6629 O.3 1 UNL1111 -0.5556 3 N 1.7181 0.6461 0.3825 N.ar 1 UNL1111 -0.2838 4 N -0.7540 0.4691 0.3787 N.ar 1 UNL1111 -0.4942 5 N 2.2218 -1.5483 0.0159 N.ar 1 UNL1111 -0.3248 6 N -1.5243 -1.8075 0.0023 N.ar 1 UNL1111 -0.5600 7 N -0.0945 -3.6250 -0.3006 N.pl3 1 UNL1111 -0.5514 8 C -5.5942 0.7699 0.4066 C.3 1 UNL1111 0.3407 9 C -5.9219 1.7662 -0.7309 C.3 1 UNL1111 -0.3190 10 C -6.5958 -0.3990 0.2770 C.3 1 UNL1111 -0.2882 11 C -6.5761 0.9180 -1.8279 C.3 1 UNL1111 -0.2588 12 C -7.2156 -0.2968 -1.1254 C.3 1 UNL1111 -0.2638 13 C -4.2178 0.3303 0.3517 C.1 1 UNL1111 -0.0624 14 C -3.0648 -0.0388 0.2978 C.1 1 UNL1111 -0.0802 15 C 0.5102 -0.0187 0.2886 C.ar 1 UNL1111 0.2757 16 C -1.7171 -0.4724 0.2257 C.ar 1 UNL1111 0.4529 17 C 0.8417 -1.3989 0.0581 C.ar 1 UNL1111 -0.1993 18 C 2.7347 -0.3286 0.2075 C.ar 1 UNL1111 0.2063 19 C -0.2540 -2.2936 -0.0829 C.ar 1 UNL1111 0.4698 20 C 4.1522 0.0233 0.2310 C.ar 1 UNL1111 0.0186 21 C 1.8968 2.0654 0.6110 C.3 1 UNL1111 -0.2293 22 C 4.7781 0.4038 -0.9571 C.ar 1 UNL1111 -0.1944 23 C 4.8613 -0.0301 1.4328 C.ar 1 UNL1111 -0.1519 24 C 6.1292 0.7376 -0.8942 C.ar 1 UNL1111 0.1928 25 C 6.2135 0.3099 1.4574 C.ar 1 UNL1111 -0.1103 26 C 6.8648 0.7027 0.2903 C.ar 1 UNL1111 -0.2038 27 H -5.0330 2.3031 -1.0929 H 1 UNL1111 0.1484 28 H -6.6220 2.5319 -0.3490 H 1 UNL1111 0.1587 29 H -7.3651 -0.3071 1.0677 H 1 UNL1111 0.1643 30 H -6.1052 -1.3720 0.4419 H 1 UNL1111 0.1542 31 H -5.8215 0.5852 -2.5630 H 1 UNL1111 0.1414 32 H -7.3240 1.4949 -2.3936 H 1 UNL1111 0.1332 33 H -8.3096 -0.1759 -1.0588 H 1 UNL1111 0.1344 34 H -7.0433 -1.2193 -1.7036 H 1 UNL1111 0.1370 35 H -5.1560 1.9787 1.9310 H 1 UNL1111 0.3214 36 H 2.4708 2.2442 1.5394 H 1 UNL1111 0.1579 37 H 2.4341 2.5343 -0.2349 H 1 UNL1111 0.1599 38 H 0.9096 2.5656 0.7132 H 1 UNL1111 0.1883 39 H 4.2276 0.4223 -1.8981 H 1 UNL1111 0.1871 40 H 4.3587 -0.3496 2.3461 H 1 UNL1111 0.1705 41 H 0.8267 -4.0119 -0.3752 H 1 UNL1111 0.3285 42 H -0.8905 -4.2243 -0.3983 H 1 UNL1111 0.3232 43 H 6.7661 0.2650 2.3961 H 1 UNL1111 0.1591 44 H 7.9202 0.9698 0.3045 H 1 UNL1111 0.1731 @BOND 1 1 24 1 2 2 8 1 3 2 35 1 4 3 15 ar 5 3 18 ar 6 3 21 1 7 4 15 ar 8 4 16 ar 9 5 17 ar 10 5 18 ar 11 6 16 ar 12 6 19 ar 13 7 19 1 14 7 41 1 15 7 42 1 16 8 9 1 17 8 10 1 18 8 13 1 19 9 11 1 20 9 27 1 21 9 28 1 22 10 12 1 23 10 29 1 24 10 30 1 25 11 12 1 26 11 31 1 27 11 32 1 28 12 33 1 29 12 34 1 30 13 14 3 31 14 16 1 32 15 17 ar 33 17 19 ar 34 18 20 1 35 20 22 ar 36 20 23 ar 37 21 36 1 38 21 37 1 39 21 38 1 40 22 24 ar 41 22 39 1 42 23 25 ar 43 23 40 1 44 24 26 ar 45 25 26 ar 46 25 43 1 47 26 44 1