@MOLECULE 5-[(1e)-2-(2-methoxyphenyl)-1-hexen-1-yl]furo[2,3-d]pyrimidine-2,4-diamine 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 N -4.2564 -1.5611 -0.5161 N.ar 1 UNL111111111 -0.6514 2 C -5.0623 -0.5002 -0.1842 C.ar 1 UNL111111111 0.5829 3 N -4.6612 0.7159 0.3395 N.ar 1 UNL111111111 -0.5789 4 C -3.3373 0.7837 0.5230 C.ar 1 UNL111111111 0.4111 5 C -2.3902 -0.2390 0.2353 C.ar 1 UNL111111111 -0.4202 6 C -2.9112 -1.4333 -0.3064 C.ar 1 UNL111111111 0.5150 7 C 2.8172 4.6224 -0.8282 C.3 1 UNL111111111 -0.4397 8 C 3.5705 -0.3110 2.9468 C.3 1 UNL111111111 -0.2091 9 N -6.4024 -0.6572 -0.3946 N.pl3 1 UNL111111111 -0.5748 10 N -2.1334 -2.5008 -0.6433 N.pl3 1 UNL111111111 -0.5767 11 C 0.1470 -0.4018 0.4841 C.2 1 UNL111111111 -0.2120 12 C 4.7189 -2.3823 -0.5412 C.ar 1 UNL111111111 -0.0777 13 C 3.8924 -2.2823 -1.6565 C.ar 1 UNL111111111 -0.2219 14 C 4.3867 -1.7360 0.6489 C.ar 1 UNL111111111 -0.2971 15 C 2.7215 -1.5249 -1.5945 C.ar 1 UNL111111111 -0.0905 16 C -1.3469 1.5744 1.0510 C.ar 1 UNL111111111 -0.0658 17 C 1.9590 3.5251 -1.4584 C.3 1 UNL111111111 -0.2467 18 C 2.0010 2.2500 -0.6091 C.3 1 UNL111111111 -0.2586 19 C 1.1160 1.1540 -1.2255 C.3 1 UNL111111111 -0.2849 20 O 2.7489 -0.3186 1.7876 O.3 1 UNL111111111 -0.2966 21 O -2.7172 1.8975 1.0235 O.2 1 UNL111111111 -0.1662 22 C 1.1452 -0.0556 -0.3431 C.2 1 UNL111111111 0.0596 23 C -1.1052 0.3119 0.5942 C.ar 1 UNL111111111 0.0168 24 C 3.2114 -0.9890 0.7007 C.ar 1 UNL111111111 0.2394 25 C 2.3658 -0.8683 -0.4209 C.ar 1 UNL111111111 -0.1298 26 H 3.8624 4.3085 -0.7336 H 1 UNL111111111 0.1406 27 H 2.8013 5.5358 -1.4324 H 1 UNL111111111 0.1379 28 H 2.4596 4.8839 0.1741 H 1 UNL111111111 0.1428 29 H 2.9871 0.3188 3.6339 H 1 UNL111111111 0.1585 30 H 3.6812 -1.3201 3.3543 H 1 UNL111111111 0.1335 31 H 4.5422 0.1466 2.7399 H 1 UNL111111111 0.1336 32 H -6.7550 -1.5101 -0.7764 H 1 UNL111111111 0.3233 33 H -7.0327 0.0893 -0.1786 H 1 UNL111111111 0.3274 34 H -2.5413 -3.3236 -1.0378 H 1 UNL111111111 0.3196 35 H -1.1399 -2.4510 -0.5386 H 1 UNL111111111 0.3227 36 H 0.2341 -1.2731 1.1405 H 1 UNL111111111 0.1687 37 H 5.6345 -2.9704 -0.5945 H 1 UNL111111111 0.1473 38 H 4.1585 -2.7913 -2.5791 H 1 UNL111111111 0.1548 39 H 5.0385 -1.8234 1.5107 H 1 UNL111111111 0.1623 40 H 2.0800 -1.4456 -2.4728 H 1 UNL111111111 0.1563 41 H -0.7558 2.3733 1.4291 H 1 UNL111111111 0.1809 42 H 0.9149 3.8769 -1.5640 H 1 UNL111111111 0.1379 43 H 2.3123 3.3096 -2.4843 H 1 UNL111111111 0.1321 44 H 3.0413 1.8854 -0.5156 H 1 UNL111111111 0.1389 45 H 1.6671 2.4648 0.4238 H 1 UNL111111111 0.1439 46 H 0.0791 1.5302 -1.3538 H 1 UNL111111111 0.1633 47 H 1.4717 0.9066 -2.2451 H 1 UNL111111111 0.1476 @BOND 1 1 2 ar 2 1 6 ar 3 2 3 ar 4 2 9 1 5 3 4 ar 6 4 5 ar 7 4 21 ar 8 5 6 ar 9 5 23 ar 10 6 10 1 11 7 17 1 12 7 26 1 13 7 27 1 14 7 28 1 15 8 20 1 16 8 29 1 17 8 30 1 18 8 31 1 19 9 32 1 20 9 33 1 21 10 34 1 22 10 35 1 23 11 22 2 24 11 23 1 25 11 36 1 26 12 13 ar 27 12 14 ar 28 12 37 1 29 13 15 ar 30 13 38 1 31 14 24 ar 32 14 39 1 33 15 25 ar 34 15 40 1 35 16 21 ar 36 16 23 ar 37 16 41 1 38 17 18 1 39 17 42 1 40 17 43 1 41 18 19 1 42 18 44 1 43 18 45 1 44 19 22 1 45 19 46 1 46 19 47 1 47 20 24 1 48 22 25 1 49 24 25 ar