@MOLECULE 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3(2h)-one 52 57 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -7.6051 1.0557 0.0367 O.2 1 UNL1 -0.4650 2 N 5.7998 2.7007 -0.4561 N.3 1 UNL1 -0.6512 3 N -1.1661 1.5321 -0.0330 N.ar 1 UNL1 -0.3810 4 N -5.2505 0.8593 0.0157 N.ar 1 UNL1 -0.4229 5 N -5.1293 -1.3958 0.0066 N.ar 1 UNL1 -0.2330 6 N -6.4510 -1.0008 0.0202 N.ar 1 UNL1 -0.3861 7 C 5.4049 1.3341 -0.0926 C.3 1 UNL1 0.1850 8 C 6.1391 0.8364 1.1993 C.3 1 UNL1 -0.2920 9 C 6.1866 0.2582 -0.9221 C.3 1 UNL1 -0.2920 10 C 6.8901 -0.2326 0.3673 C.3 1 UNL1 -0.2643 11 C 3.9069 1.1755 -0.0864 C.ar 1 UNL1 -0.0558 12 C 3.2398 0.8173 -1.2598 C.ar 1 UNL1 -0.1634 13 C 3.1767 1.4278 1.0758 C.ar 1 UNL1 -0.1644 14 C 1.8597 0.6456 -1.2556 C.ar 1 UNL1 -0.1250 15 C 1.7944 1.2616 1.0866 C.ar 1 UNL1 -0.1211 16 C 1.1450 0.8382 -0.0721 C.ar 1 UNL1 -0.0285 17 C -0.2951 0.5174 -0.0390 C.ar 1 UNL1 0.2206 18 C -0.6975 -0.8457 -0.0111 C.ar 1 UNL1 -0.1289 19 C -2.9706 -0.0815 -0.0066 C.ar 1 UNL1 -0.1556 20 C -2.4942 1.2538 -0.0131 C.ar 1 UNL1 0.2382 21 C -2.0507 -1.1392 -0.0026 C.ar 1 UNL1 -0.0359 22 C 0.3239 -1.8964 0.0291 C.ar 1 UNL1 -0.0010 23 C -4.3931 -0.2823 0.0042 C.ar 1 UNL1 0.2372 24 C -3.4222 2.3675 0.0026 C.ar 1 UNL1 -0.2719 25 C -4.7620 2.1601 0.0167 C.ar 1 UNL1 0.1183 26 C 0.6922 -2.5669 -1.1383 C.ar 1 UNL1 -0.1488 27 C 0.9610 -2.1848 1.2386 C.ar 1 UNL1 -0.1443 28 C -6.6027 0.3915 0.0260 C.ar 1 UNL1 0.6278 29 C 1.7173 -3.5093 -1.0963 C.ar 1 UNL1 -0.1423 30 C 1.9810 -3.1315 1.2749 C.ar 1 UNL1 -0.1405 31 C 2.3633 -3.7893 0.1065 C.ar 1 UNL1 -0.1452 32 H 6.7898 1.5925 1.6490 H 1 UNL1 0.1549 33 H 5.4855 0.4291 1.9718 H 1 UNL1 0.1414 34 H 5.5596 -0.4915 -1.4068 H 1 UNL1 0.1418 35 H 6.8641 0.6876 -1.6664 H 1 UNL1 0.1553 36 H 7.9766 -0.1136 0.3591 H 1 UNL1 0.1417 37 H 6.6590 -1.2640 0.6430 H 1 UNL1 0.1366 38 H 5.4943 2.9480 -1.3842 H 1 UNL1 0.2555 39 H 5.4510 3.3820 0.1993 H 1 UNL1 0.2553 40 H 3.7986 0.6595 -2.1812 H 1 UNL1 0.1572 41 H 3.6860 1.7492 1.9831 H 1 UNL1 0.1569 42 H 1.3399 0.3504 -2.1662 H 1 UNL1 0.1614 43 H 1.2228 1.4550 1.9940 H 1 UNL1 0.1641 44 H -2.4054 -2.1746 0.0127 H 1 UNL1 0.1879 45 H -2.9937 3.3723 0.0032 H 1 UNL1 0.2043 46 H -5.5221 2.9523 0.0293 H 1 UNL1 0.1932 47 H 0.1876 -2.3461 -2.0770 H 1 UNL1 0.1573 48 H 0.6665 -1.6609 2.1462 H 1 UNL1 0.1574 49 H -7.1568 -1.7129 0.0235 H 1 UNL1 0.3633 50 H 2.0165 -4.0253 -2.0063 H 1 UNL1 0.1493 51 H 2.4836 -3.3524 2.2144 H 1 UNL1 0.1505 52 H 3.1667 -4.5221 0.1340 H 1 UNL1 0.1476 @BOND 1 40 12 1 2 42 14 1 3 47 26 1 4 50 29 1 5 35 9 1 6 34 9 1 7 38 2 1 8 12 14 ar 9 12 11 ar 10 14 16 ar 11 26 29 ar 12 26 22 ar 13 29 31 ar 14 9 7 1 15 9 10 1 16 2 7 1 17 2 39 1 18 7 11 1 19 7 8 1 20 11 13 ar 21 16 17 1 22 16 15 ar 23 17 3 ar 24 17 18 ar 25 3 20 ar 26 20 19 ar 27 20 24 ar 28 18 21 ar 29 18 22 1 30 19 21 ar 31 19 23 ar 32 21 44 1 33 24 45 1 34 24 25 ar 35 23 5 ar 36 23 4 ar 37 5 6 ar 38 4 25 ar 39 4 28 ar 40 25 46 1 41 6 49 1 42 6 28 ar 43 28 1 2 44 22 27 ar 45 31 52 1 46 31 30 ar 47 36 10 1 48 10 37 1 49 10 8 1 50 13 15 ar 51 13 41 1 52 15 43 1 53 8 32 1 54 8 33 1 55 27 30 ar 56 27 48 1 57 30 51 1