@MOLECULE 9-butyl-8-(2,5-dimethoxybenzyl)-2-fluoro-9h-purin-6-amine 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.2068 -2.0267 -2.4858 C.3 1 UNL1111 -0.2094 2 C 2.7065 -1.0771 -1.5549 C.ar 1 UNL1111 -0.2179 3 O 0.5120 -2.0602 -1.0987 O.3 1 UNL1111 -0.2844 4 C 1.6732 -1.4659 -0.7107 C.ar 1 UNL1111 0.1569 5 C 3.8512 -0.4880 -1.0138 C.ar 1 UNL1111 -0.2366 6 C 3.9314 -0.3083 0.3626 C.ar 1 UNL1111 0.1954 7 O 4.9772 0.2516 1.0355 O.3 1 UNL1111 -0.3169 8 C 6.0335 0.7840 0.2506 C.3 1 UNL1111 -0.2029 9 C 2.8932 -0.7066 1.2237 C.ar 1 UNL1111 -0.2167 10 C 1.7509 -1.2765 0.6876 C.ar 1 UNL1111 -0.0305 11 C 0.6042 -1.6814 1.5603 C.3 1 UNL1111 -0.2595 12 C -0.6783 -1.0713 1.1193 C.ar 1 UNL1111 0.2763 13 N -1.7883 -1.7562 0.8278 N.ar 1 UNL1111 -0.3591 14 C -2.7438 -0.8181 0.4513 C.ar 1 UNL1111 -0.2108 15 C -4.0932 -0.9181 0.0210 C.ar 1 UNL1111 0.4774 16 N -4.7437 -2.1037 -0.0975 N.pl3 1 UNL1111 -0.5493 17 C -2.1757 0.4994 0.5312 C.ar 1 UNL1111 0.2808 18 N -2.8460 1.6458 0.2219 N.ar 1 UNL1111 -0.5080 19 C -4.1120 1.4032 -0.1722 C.ar 1 UNL1111 0.5319 20 N -4.7767 0.2232 -0.2963 N.ar 1 UNL1111 -0.5815 21 N -0.8818 0.3315 0.9855 N.ar 1 UNL1111 -0.3142 22 C 0.0904 1.4082 1.1326 C.3 1 UNL1111 -0.0624 23 C 0.6361 1.8408 -0.2394 C.3 1 UNL1111 -0.3021 24 C 1.8697 2.7310 -0.0638 C.3 1 UNL1111 -0.2448 25 C 2.5197 3.0117 -1.4188 C.3 1 UNL1111 -0.4373 26 F -4.8185 2.4660 -0.4916 F 1 UNL1111 -0.0980 27 H -0.8113 -2.4438 -2.5005 H 1 UNL1111 0.1601 28 H 0.2019 -1.0026 -2.8694 H 1 UNL1111 0.1342 29 H 0.8908 -2.6671 -3.0491 H 1 UNL1111 0.1315 30 H 2.6395 -1.2268 -2.6289 H 1 UNL1111 0.1646 31 H 4.6568 -0.1823 -1.6732 H 1 UNL1111 0.1608 32 H 6.7062 1.1947 1.0158 H 1 UNL1111 0.1516 33 H 6.5370 -0.0056 -0.3152 H 1 UNL1111 0.1334 34 H 5.6713 1.5802 -0.4071 H 1 UNL1111 0.1338 35 H 3.0069 -0.5556 2.2956 H 1 UNL1111 0.1757 36 H 0.7947 -1.4406 2.6311 H 1 UNL1111 0.1740 37 H 0.4960 -2.8000 1.5277 H 1 UNL1111 0.2035 38 H -5.6994 -2.1365 -0.3933 H 1 UNL1111 0.3238 39 H -4.2666 -2.9549 0.1324 H 1 UNL1111 0.3292 40 H 0.9149 1.0621 1.7972 H 1 UNL1111 0.1547 41 H -0.4090 2.2736 1.6354 H 1 UNL1111 0.1699 42 H -0.1527 2.3735 -0.8076 H 1 UNL1111 0.1657 43 H 0.8932 0.9508 -0.8463 H 1 UNL1111 0.1540 44 H 2.6047 2.2410 0.6056 H 1 UNL1111 0.1382 45 H 1.5878 3.6809 0.4283 H 1 UNL1111 0.1390 46 H 3.3845 3.6746 -1.3154 H 1 UNL1111 0.1356 47 H 2.8673 2.0850 -1.8913 H 1 UNL1111 0.1428 48 H 1.8152 3.4904 -2.1088 H 1 UNL1111 0.1475 @BOND 1 1 3 1 2 1 27 1 3 1 28 1 4 1 29 1 5 2 4 ar 6 2 5 ar 7 2 30 1 8 3 4 1 9 4 10 ar 10 5 6 ar 11 5 31 1 12 6 7 1 13 6 9 ar 14 7 8 1 15 8 32 1 16 8 33 1 17 8 34 1 18 9 10 ar 19 9 35 1 20 10 11 1 21 11 12 1 22 11 36 1 23 11 37 1 24 12 13 ar 25 12 21 ar 26 13 14 ar 27 14 15 ar 28 14 17 ar 29 15 16 1 30 15 20 ar 31 16 38 1 32 16 39 1 33 17 18 ar 34 17 21 ar 35 18 19 ar 36 19 20 ar 37 19 26 1 38 21 22 1 39 22 23 1 40 22 40 1 41 22 41 1 42 23 24 1 43 23 42 1 44 23 43 1 45 24 25 1 46 24 44 1 47 24 45 1 48 25 46 1 49 25 47 1 50 25 48 1