@MOLECULE 2-(4-butanoyl-1,4-diazepan-1-yl)-6,7-dimethoxyquinazolin-4-amine 54 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.8635 1.8980 -1.0595 O.2 1 UNL1111111111 -0.5321 2 O 4.5835 2.1520 -1.3095 O.3 1 UNL1111111111 -0.3239 3 O 5.7139 0.6779 0.5613 O.3 1 UNL1111111111 -0.2728 4 N -4.2594 -0.2866 -0.7182 N.am 1 UNL1111111111 -0.5103 5 N -1.4488 -1.5937 -1.0301 N.pl3 1 UNL1111111111 -0.4020 6 N 0.5070 -0.2815 -1.0251 N.ar 1 UNL1111111111 -0.5776 7 N 0.2685 -2.1668 0.4788 N.ar 1 UNL1111111111 -0.6455 8 N 1.9863 -2.9439 1.7833 N.pl3 1 UNL1111111111 -0.6008 9 C -3.1665 -1.9982 0.7504 C.3 1 UNL1111111111 -0.3378 10 C -4.4720 -1.4202 0.1826 C.3 1 UNL1111111111 -0.0671 11 C -2.2882 -2.5946 -0.3641 C.3 1 UNL1111111111 -0.0526 12 C -3.6023 -0.6099 -1.9890 C.3 1 UNL1111111111 -0.0837 13 C -2.0589 -0.5982 -1.9321 C.3 1 UNL1111111111 -0.0959 14 C -4.2112 1.0343 -0.2789 C.2 1 UNL1111111111 0.5841 15 C -0.2110 -1.3087 -0.4999 C.ar 1 UNL1111111111 0.5535 16 C -4.6793 1.3388 1.1248 C.3 1 UNL1111111111 -0.3612 17 C -4.6949 2.8558 1.3514 C.3 1 UNL1111111111 -0.2257 18 C 1.7928 -0.1222 -0.5963 C.ar 1 UNL1111111111 0.2875 19 C 2.4056 -0.9836 0.3498 C.ar 1 UNL1111111111 -0.2780 20 C 1.5543 -2.0307 0.8567 C.ar 1 UNL1111111111 0.4814 21 C -5.1146 3.1816 2.7830 C.3 1 UNL1111111111 -0.4416 22 C 2.5436 0.9707 -1.1323 C.ar 1 UNL1111111111 -0.2307 23 C 3.7445 -0.7600 0.7641 C.ar 1 UNL1111111111 -0.2121 24 C 3.8296 1.1703 -0.7162 C.ar 1 UNL1111111111 0.2006 25 C 4.4429 0.3038 0.2530 C.ar 1 UNL1111111111 0.1180 26 C 4.5151 3.3849 -0.5945 C.3 1 UNL1111111111 -0.1957 27 C 6.4186 -0.1552 1.4721 C.3 1 UNL1111111111 -0.2147 28 H -3.3961 -2.7792 1.4985 H 1 UNL1111111111 0.1501 29 H -2.5968 -1.2196 1.2966 H 1 UNL1111111111 0.1666 30 H -5.0204 -2.2127 -0.3846 H 1 UNL1111111111 0.1408 31 H -5.1525 -1.1208 1.0087 H 1 UNL1111111111 0.1368 32 H -1.6276 -3.3909 0.0675 H 1 UNL1111111111 0.1740 33 H -2.9059 -3.0957 -1.1416 H 1 UNL1111111111 0.1394 34 H -3.9171 0.1566 -2.7450 H 1 UNL1111111111 0.1712 35 H -3.9825 -1.5873 -2.3536 H 1 UNL1111111111 0.1387 36 H -1.6621 -0.8144 -2.9570 H 1 UNL1111111111 0.1572 37 H -1.7098 0.4345 -1.6686 H 1 UNL1111111111 0.1916 38 H -4.0015 0.8543 1.8569 H 1 UNL1111111111 0.1657 39 H -5.6924 0.9245 1.2995 H 1 UNL1111111111 0.1611 40 H -5.3765 3.3387 0.6235 H 1 UNL1111111111 0.1490 41 H -3.6947 3.2811 1.1299 H 1 UNL1111111111 0.1576 42 H -4.4237 2.7496 3.5129 H 1 UNL1111111111 0.1423 43 H -6.1170 2.8019 3.0071 H 1 UNL1111111111 0.1386 44 H -5.1320 4.2644 2.9516 H 1 UNL1111111111 0.1437 45 H 2.0655 1.6199 -1.8681 H 1 UNL1111111111 0.2017 46 H 4.1931 -1.4297 1.4888 H 1 UNL1111111111 0.1514 47 H 2.9354 -2.9646 2.0852 H 1 UNL1111111111 0.3101 48 H 1.3597 -3.6504 2.1149 H 1 UNL1111111111 0.3195 49 H 4.9219 3.2650 0.4145 H 1 UNL1111111111 0.1331 50 H 3.4863 3.7578 -0.5686 H 1 UNL1111111111 0.1335 51 H 5.1511 4.0482 -1.1923 H 1 UNL1111111111 0.1473 52 H 5.9244 -0.1821 2.4482 H 1 UNL1111111111 0.1304 53 H 7.3894 0.3572 1.5479 H 1 UNL1111111111 0.1504 54 H 6.5516 -1.1599 1.0605 H 1 UNL1111111111 0.1348 @BOND 1 1 14 2 2 2 24 1 3 2 26 1 4 3 25 1 5 3 27 1 6 4 10 1 7 4 12 1 8 4 14 am 9 5 11 1 10 5 13 1 11 5 15 1 12 6 15 ar 13 6 18 ar 14 7 15 ar 15 7 20 ar 16 8 20 1 17 8 47 1 18 8 48 1 19 9 10 1 20 9 11 1 21 9 28 1 22 9 29 1 23 10 30 1 24 10 31 1 25 11 32 1 26 11 33 1 27 12 13 1 28 12 34 1 29 12 35 1 30 13 36 1 31 13 37 1 32 14 16 1 33 16 17 1 34 16 38 1 35 16 39 1 36 17 21 1 37 17 40 1 38 17 41 1 39 18 19 ar 40 18 22 ar 41 19 20 ar 42 19 23 ar 43 21 42 1 44 21 43 1 45 21 44 1 46 22 24 ar 47 22 45 1 48 23 25 ar 49 23 46 1 50 24 25 ar 51 26 49 1 52 26 50 1 53 26 51 1 54 27 52 1 55 27 53 1 56 27 54 1