@MOLECULE ethyl 4-(5-{[(2,4-diamino-6-quinazolinyl)methyl]amino}-2-methoxyphenoxy)butanoate 58 60 0 0 0 SMALL GASTEIGER @ATOM 1 C 5.8552 1.2678 1.4399 C.ar 1 UNL1111111111 0.4801 2 N 6.8050 2.2064 1.2519 N.ar 1 UNL1111111111 -0.6322 3 O -3.4936 -4.0037 0.1181 O.3 1 UNL1111111111 -0.2726 4 C 5.2356 0.5681 0.3374 C.ar 1 UNL1111111111 -0.3177 5 N 5.5245 1.0153 2.7422 N.pl3 1 UNL1111111111 -0.5829 6 O -3.4125 -1.4808 0.1181 O.3 1 UNL1111111111 -0.2916 7 C 3.7138 -1.0350 -0.6420 C.ar 1 UNL1111111111 -0.1224 8 N 8.1339 3.4221 -0.2347 N.pl3 1 UNL1111111111 -0.5777 9 O -7.5628 1.3047 0.1215 O.2 1 UNL1111111111 -0.5041 10 C 2.6438 -2.0779 -0.4809 C.3 1 UNL1111111111 -0.0783 11 N 1.4337 -1.4345 0.0799 N.pl3 1 UNL1111111111 -0.5254 12 O -6.8165 3.4081 -0.1119 O.3 1 UNL1111111111 -0.4482 13 C -3.5914 -5.3972 0.3740 C.3 1 UNL1111111111 -0.2153 14 N 6.6411 1.8857 -1.1624 N.ar 1 UNL1111111111 -0.5925 15 C -3.4488 -0.0512 0.0433 C.3 1 UNL1111111111 -0.0548 16 C -4.9496 0.2497 0.0329 C.3 1 UNL1111111111 -0.2723 17 C -5.1762 1.7543 -0.0937 C.3 1 UNL1111111111 -0.3463 18 C -6.6412 2.0663 -0.0124 C.2 1 UNL1111111111 0.6057 19 C -8.0502 5.3857 -0.2019 C.3 1 UNL1111111111 -0.4633 20 C -8.1716 3.8792 -0.0455 C.3 1 UNL1111111111 0.0114 21 C 7.1655 2.4746 -0.0570 C.ar 1 UNL1111111111 0.5765 22 C 0.2248 -2.1432 0.0143 C.ar 1 UNL1111111111 0.2443 23 C -0.9778 -1.3970 0.0391 C.ar 1 UNL1111111111 -0.3902 24 C -2.1898 -2.0633 0.0872 C.ar 1 UNL1111111111 0.2325 25 C -2.2293 -3.4852 0.1033 C.ar 1 UNL1111111111 0.0663 26 C -1.0479 -4.2032 0.0700 C.ar 1 UNL1111111111 -0.1646 27 C 0.1827 -3.5398 0.0225 C.ar 1 UNL1111111111 -0.2957 28 C 4.1527 -0.6655 -1.9392 C.ar 1 UNL1111111111 -0.0787 29 C 5.6829 0.9364 -0.9630 C.ar 1 UNL1111111111 0.3058 30 C 5.1134 0.2945 -2.1056 C.ar 1 UNL1111111111 -0.2095 31 C 4.2486 -0.4284 0.4711 C.ar 1 UNL1111111111 -0.0480 32 H 5.9638 1.5337 3.4799 H 1 UNL1111111111 0.3248 33 H 4.7865 0.3881 2.9754 H 1 UNL1111111111 0.3146 34 H 8.4333 3.6610 -1.1585 H 1 UNL1111111111 0.3261 35 H 8.5410 3.8808 0.5532 H 1 UNL1111111111 0.3231 36 H 2.4260 -2.5921 -1.4449 H 1 UNL1111111111 0.1372 37 H 2.9757 -2.8707 0.2333 H 1 UNL1111111111 0.1540 38 H 1.3755 -0.4446 -0.1402 H 1 UNL1111111111 0.2907 39 H -4.6795 -5.5418 0.4260 H 1 UNL1111111111 0.1525 40 H -3.1695 -5.9770 -0.4521 H 1 UNL1111111111 0.1288 41 H -3.1264 -5.6621 1.3280 H 1 UNL1111111111 0.1315 42 H -2.9424 0.3725 0.9277 H 1 UNL1111111111 0.1300 43 H -2.9500 0.2841 -0.8823 H 1 UNL1111111111 0.1297 44 H -5.4456 -0.2992 -0.7957 H 1 UNL1111111111 0.1722 45 H -5.4286 -0.1512 0.9513 H 1 UNL1111111111 0.1724 46 H -4.6345 2.3103 0.7023 H 1 UNL1111111111 0.1773 47 H -4.7653 2.1410 -1.0519 H 1 UNL1111111111 0.1780 48 H -7.5762 5.6513 -1.1561 H 1 UNL1111111111 0.1593 49 H -9.0339 5.8675 -0.1674 H 1 UNL1111111111 0.1546 50 H -7.4317 5.8211 0.5940 H 1 UNL1111111111 0.1590 51 H -8.7476 3.4051 -0.8597 H 1 UNL1111111111 0.1345 52 H -8.5970 3.5785 0.9283 H 1 UNL1111111111 0.1336 53 H -0.9307 -0.3150 0.0329 H 1 UNL1111111111 0.1676 54 H -1.0572 -5.2910 0.0776 H 1 UNL1111111111 0.1582 55 H 1.0949 -4.1250 0.0091 H 1 UNL1111111111 0.1600 56 H 3.7112 -1.1588 -2.8068 H 1 UNL1111111111 0.1561 57 H 5.4710 0.5970 -3.0902 H 1 UNL1111111111 0.1825 58 H 3.8975 -0.7198 1.4623 H 1 UNL1111111111 0.1536 @BOND 1 1 5 1 2 2 1 ar 3 3 13 1 4 4 1 ar 5 4 31 ar 6 5 32 1 7 5 33 1 8 6 24 1 9 7 10 1 10 7 31 ar 11 8 21 1 12 8 34 1 13 8 35 1 14 10 36 1 15 10 37 1 16 11 10 1 17 11 22 1 18 11 38 1 19 12 20 1 20 12 18 1 21 13 39 1 22 13 40 1 23 13 41 1 24 14 29 ar 25 14 21 ar 26 15 6 1 27 15 42 1 28 15 43 1 29 16 15 1 30 16 17 1 31 16 44 1 32 16 45 1 33 17 46 1 34 17 47 1 35 18 9 2 36 18 17 1 37 19 20 1 38 19 48 1 39 19 49 1 40 19 50 1 41 20 51 1 42 20 52 1 43 21 2 ar 44 22 27 ar 45 23 22 ar 46 23 24 ar 47 23 53 1 48 24 25 ar 49 25 3 1 50 25 26 ar 51 26 54 1 52 27 26 ar 53 27 55 1 54 28 7 ar 55 28 56 1 56 29 4 ar 57 30 28 ar 58 30 29 ar 59 30 57 1 60 31 58 1