@MOLECULE 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one 51 54 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.1132 3.8975 -0.7433 O.2 1 UNL1 -0.4574 2 N 2.3328 -0.0536 0.7508 N.3 1 UNL1 -0.5711 3 N 0.0839 1.8696 0.6681 N.ar 1 UNL1 -0.5439 4 N -4.3552 -1.2390 -0.5226 N.ar 1 UNL1 -0.4742 5 N -2.5038 -2.3264 0.2940 N.ar 1 UNL1 -0.5031 6 N -0.9557 3.9270 -0.0421 N.ar 1 UNL1 -0.6398 7 N -4.4416 -3.6656 -0.3799 N.pl3 1 UNL1 -0.4882 8 N 1.3075 3.8835 0.5411 N.pl3 1 UNL1 -0.6215 9 C 4.4060 -0.8993 -0.4390 C.3 1 UNL1 -0.1409 10 C 5.2129 -1.2433 0.8286 C.3 1 UNL1 -0.2822 11 C 5.4657 -0.5192 -1.4902 C.3 1 UNL1 -0.2765 12 C 6.5801 -1.7546 0.3364 C.3 1 UNL1 -0.2632 13 C 6.6962 -1.3787 -1.1549 C.3 1 UNL1 -0.2615 14 C 3.4059 0.2488 -0.2180 C.3 1 UNL1 -0.1323 15 C 1.3458 -1.0418 0.2379 C.3 1 UNL1 -0.1088 16 C 0.1006 -1.0205 1.1515 C.3 1 UNL1 -0.2637 17 C -1.0460 -0.2759 0.5494 C.ar 1 UNL1 -0.1200 18 C -2.2083 -0.9598 0.1996 C.ar 1 UNL1 0.1660 19 C -1.0555 1.1180 0.3408 C.ar 1 UNL1 0.2314 20 C -3.3548 -0.2619 -0.3280 C.ar 1 UNL1 -0.0153 21 C -2.1922 1.7931 -0.1690 C.ar 1 UNL1 -0.2639 22 C -3.3579 1.1088 -0.5051 C.ar 1 UNL1 -0.0572 23 C -3.7615 -2.4723 -0.1712 C.ar 1 UNL1 0.4614 24 C -2.1580 3.2706 -0.3505 C.ar 1 UNL1 0.6146 25 C 0.0869 3.2387 0.3772 C.ar 1 UNL1 0.5897 26 C -3.7880 -4.8650 0.1745 C.3 1 UNL1 -0.2396 27 H 3.8590 -1.8062 -0.7832 H 1 UNL1 0.1395 28 H 5.3431 -0.3536 1.4672 H 1 UNL1 0.1356 29 H 4.6993 -1.9968 1.4439 H 1 UNL1 0.1298 30 H 5.1076 -0.6960 -2.5153 H 1 UNL1 0.1369 31 H 5.7166 0.5537 -1.4277 H 1 UNL1 0.1383 32 H 7.4000 -1.3089 0.9223 H 1 UNL1 0.1348 33 H 6.6635 -2.8456 0.4712 H 1 UNL1 0.1349 34 H 6.7210 -2.2853 -1.7829 H 1 UNL1 0.1358 35 H 7.6316 -0.8354 -1.3613 H 1 UNL1 0.1349 36 H 2.9444 0.5410 -1.1882 H 1 UNL1 0.1512 37 H 3.9374 1.1538 0.1547 H 1 UNL1 0.1414 38 H 2.7279 -0.3722 1.6361 H 1 UNL1 0.2603 39 H 1.0606 -0.7701 -0.8021 H 1 UNL1 0.1555 40 H 1.7629 -2.0684 0.1887 H 1 UNL1 0.1213 41 H 0.3465 -0.5955 2.1480 H 1 UNL1 0.1583 42 H -0.2097 -2.0710 1.3625 H 1 UNL1 0.1768 43 H -4.2254 1.6532 -0.8865 H 1 UNL1 0.1893 44 H 0.9682 1.3565 0.8331 H 1 UNL1 0.3714 45 H -5.1765 -1.1061 -1.0684 H 1 UNL1 0.3271 46 H -5.4460 -3.6361 -0.2244 H 1 UNL1 0.2937 47 H 2.0053 3.4716 1.1253 H 1 UNL1 0.3008 48 H 1.2995 4.8898 0.4923 H 1 UNL1 0.3234 49 H -2.7294 -4.8996 -0.1555 H 1 UNL1 0.1790 50 H -4.2989 -5.7588 -0.2189 H 1 UNL1 0.1496 51 H -3.7891 -4.8911 1.2771 H 1 UNL1 0.1416 @BOND 1 30 11 1 2 34 13 1 3 11 31 1 4 11 13 1 5 11 9 1 6 35 13 1 7 36 14 1 8 13 12 1 9 45 4 1 10 43 22 1 11 39 15 1 12 27 9 1 13 1 24 2 14 4 20 ar 15 4 23 ar 16 22 20 ar 17 22 21 ar 18 9 14 1 19 9 10 1 20 7 46 1 21 7 23 1 22 7 26 1 23 24 21 ar 24 24 6 ar 25 20 18 ar 26 50 26 1 27 14 37 1 28 14 2 1 29 23 5 ar 30 21 19 ar 31 49 26 1 32 6 25 ar 33 26 51 1 34 40 15 1 35 18 5 ar 36 18 17 ar 37 15 2 1 38 15 16 1 39 12 33 1 40 12 10 1 41 12 32 1 42 19 17 ar 43 19 3 ar 44 25 8 1 45 25 3 ar 46 48 8 1 47 8 47 1 48 17 16 1 49 3 44 1 50 2 38 1 51 10 29 1 52 10 28 1 53 16 42 1 54 16 41 1