@MOLECULE 2-[2-(1-piperidyl)ethylamino]-3,5-dihydroimidazo[4,5-g]quinazoline-1,7-diium-4a-id-8-one 43 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 5.8878 -1.6734 -1.0827 O.2 1 UNL1 -0.4154 2 C 5.5630 -0.5918 -0.6620 C.ar 1 UNL1 0.5889 3 N 6.5271 0.4504 -0.5771 N.ar 1 UNL1 -0.5346 4 C 4.1904 -0.2625 -0.2177 C.ar 1 UNL1 -0.2904 5 C 3.8980 1.0480 0.2432 C.ar 1 UNL1 0.2627 6 N 4.9312 1.9962 0.2719 N.ar 1 UNL1 -0.5187 7 C 6.2151 1.6293 -0.1465 C.ar 1 UNL1 0.3092 8 C 2.6150 1.4190 0.6674 C.ar 1 UNL1 -0.3439 9 C 1.6415 0.4306 0.6133 C.ar 1 UNL1 0.1580 10 C 1.9268 -0.9075 0.1467 C.ar 1 UNL1 0.0136 11 C 3.2061 -1.2484 -0.2662 C.ar 1 UNL1 0.0118 12 N 0.2849 0.4491 0.9302 N.ar 1 UNL1 -0.4585 13 C -0.2042 -0.8621 0.6668 C.ar 1 UNL1 0.4243 14 N 0.7479 -1.6694 0.1853 N.ar 1 UNL1 -0.4349 15 N -1.5133 -1.2208 0.9946 N.pl3 1 UNL1 -0.5095 16 C -2.5617 -0.3389 0.4272 C.3 1 UNL1 -0.1016 17 C -3.9462 -0.9978 0.6469 C.3 1 UNL1 -0.1343 18 N -4.9491 -0.0335 0.1388 N.3 1 UNL1 -0.4284 19 C -6.2169 -0.1190 0.9051 C.3 1 UNL1 -0.1057 20 C -7.1711 0.9956 0.4356 C.3 1 UNL1 -0.2738 21 C -7.4482 0.8664 -1.0663 C.3 1 UNL1 -0.2627 22 C -6.1186 0.8858 -1.8283 C.3 1 UNL1 -0.2734 23 C -5.1945 -0.2323 -1.3122 C.3 1 UNL1 -0.1087 24 H 4.7325 2.9302 0.5981 H 1 UNL1 0.3211 25 H 6.9810 2.4221 -0.0904 H 1 UNL1 0.1814 26 H 2.3929 2.4177 1.0185 H 1 UNL1 0.1730 27 H 3.4383 -2.2594 -0.6222 H 1 UNL1 0.2001 28 H -0.2157 1.1922 1.3598 H 1 UNL1 0.3299 29 H -1.6927 -2.2205 0.8421 H 1 UNL1 0.3086 30 H -2.5360 0.6393 0.9584 H 1 UNL1 0.1583 31 H -2.3986 -0.1291 -0.6517 H 1 UNL1 0.1395 32 H -3.9959 -1.9899 0.1529 H 1 UNL1 0.1231 33 H -4.0949 -1.1765 1.7352 H 1 UNL1 0.1529 34 H -6.7110 -1.1084 0.8044 H 1 UNL1 0.1135 35 H -5.9808 0.0274 1.9820 H 1 UNL1 0.1355 36 H -8.1109 0.9523 1.0130 H 1 UNL1 0.1329 37 H -6.7149 1.9824 0.6490 H 1 UNL1 0.1513 38 H -7.9998 -0.0679 -1.2784 H 1 UNL1 0.1349 39 H -8.0999 1.6906 -1.4087 H 1 UNL1 0.1350 40 H -6.2855 0.7651 -2.9128 H 1 UNL1 0.1344 41 H -5.6214 1.8663 -1.6927 H 1 UNL1 0.1514 42 H -4.2186 -0.1814 -1.8418 H 1 UNL1 0.1346 43 H -5.6394 -1.2251 -1.5375 H 1 UNL1 0.1143 @BOND 1 40 22 1 2 42 23 1 3 22 41 1 4 22 23 1 5 22 21 1 6 43 23 1 7 39 21 1 8 23 18 1 9 38 21 1 10 1 2 2 11 21 20 1 12 2 3 ar 13 2 4 ar 14 31 16 1 15 27 11 1 16 3 7 ar 17 11 4 ar 18 11 10 ar 19 4 5 ar 20 7 25 1 21 7 6 ar 22 18 17 1 23 18 19 1 24 10 14 ar 25 10 9 ar 26 32 17 1 27 14 13 ar 28 5 6 ar 29 5 8 ar 30 6 24 1 31 16 17 1 32 16 30 1 33 16 15 1 34 20 37 1 35 20 19 1 36 20 36 1 37 9 8 ar 38 9 12 ar 39 17 33 1 40 13 12 ar 41 13 15 1 42 8 26 1 43 34 19 1 44 29 15 1 45 19 35 1 46 12 28 1