@MOLECULE 4-[(2-cyclobutyl-1h-imidazo[4,5-b]pyrazin-1-yl)methyl]-7,8-difluoro-2(1h)-quinolinone 27 31 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -2.6958 1.9220 1.3504 C.ar 1 UNL1 -0.0248 2 C -3.9616 1.3926 1.2424 C.ar 1 UNL1 0.1187 3 C -4.0146 0.2938 0.3622 C.ar 1 UNL1 0.1141 4 C -1.6425 1.4912 0.7279 C.ar 1 UNL1 -0.0023 5 C -1.5326 0.4587 -0.1479 C.ar 1 UNL1 0.0073 6 C -2.8473 -0.2155 -0.3550 C.ar 1 UNL1 0.1297 7 N -3.0112 -1.2472 -1.1633 N.ar 1 UNL1 -0.3638 8 C -1.8975 -1.7984 -1.8974 C.ar 1 UNL1 0.4803 9 C -0.6729 -1.0810 -1.6524 C.ar 1 UNL1 -0.0264 10 C -0.3903 -0.0541 -0.8712 C.ar 1 UNL1 -0.1866 11 C 0.8715 0.6782 -0.7851 C.3 1 UNL1 0.3010 12 N 1.3112 -2.1969 0.5982 N.ar 1 UNL1 -0.2880 13 C 1.8817 -3.2022 1.1856 C.ar 1 UNL1 0.1816 14 C 3.1966 -3.2321 1.6046 C.ar 1 UNL1 0.1333 15 N 4.0479 -2.2727 1.4790 N.ar 1 UNL1 -0.2116 16 O -2.0758 -2.7551 -2.6057 O.2 1 UNL1 -0.2579 17 F -5.1662 -0.3030 0.1713 F 1 UNL1 -0.0711 18 N 1.9298 0.1251 -0.1778 N.ar 1 UNL1 -0.3323 19 C 2.1511 -1.1370 0.4209 C.ar 1 UNL1 0.0953 20 C 3.5370 -1.1587 0.8655 C.ar 1 UNL1 0.1611 21 N 4.1426 0.0581 0.5641 N.ar 1 UNL1 -0.2885 22 C 3.2137 0.8263 -0.0419 C.ar 1 UNL1 0.3410 23 C 3.3687 2.1223 -0.4855 C.3 1 UNL1 -0.3423 24 F -5.0242 1.8352 1.8688 F 1 UNL1 -0.0807 25 C 4.4095 3.1059 -0.5418 C.3 1 UNL1 0.1683 26 C 3.6593 4.0598 -1.0938 C.3 1 UNL1 -0.2285 27 C 2.4304 3.2280 -1.1599 C.3 1 UNL1 0.4731 @BOND 1 16 8 2 2 8 9 ar 3 8 7 ar 4 9 10 ar 5 7 6 ar 6 27 26 1 7 27 23 1 8 26 25 1 9 10 11 1 10 10 5 ar 11 11 18 1 12 25 23 1 13 23 22 1 14 6 5 ar 15 6 3 ar 16 18 22 ar 17 18 19 ar 18 5 4 ar 19 22 21 ar 20 17 3 1 21 3 2 ar 22 19 12 ar 23 19 20 ar 24 21 20 ar 25 12 13 ar 26 4 1 ar 27 20 15 ar 28 13 14 ar 29 2 1 ar 30 2 24 1 31 15 14 ar