@MOLECULE benzo[f]pyrido[1,2-a]indole-6,11-dione 28 31 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.1509 2.4363 -0.0001 O.2 1 UNL1 -0.4633 2 O -1.4010 -2.8262 0.0004 O.2 1 UNL1 -0.4079 3 N 1.9419 0.3456 0.0000 N.ar 1 UNL1 -0.0380 4 C 0.5671 0.2079 0.0003 C.ar 1 UNL1 -0.1865 5 C 0.2737 -1.1780 0.0003 C.ar 1 UNL1 -0.1084 6 C 2.5265 -0.9408 -0.0003 C.ar 1 UNL1 0.0633 7 C 1.4740 -1.8925 -0.0002 C.ar 1 UNL1 -0.1893 8 C -0.4326 1.2569 0.0004 C.2 1 UNL1 0.4832 9 C -1.8405 0.7753 0.0005 C.ar 1 UNL1 -0.1054 10 C -2.1584 -0.5906 0.0003 C.ar 1 UNL1 -0.1073 11 C -1.1096 -1.6535 0.0004 C.2 1 UNL1 0.4648 12 C 2.7062 1.4917 0.0002 C.ar 1 UNL1 -0.0163 13 C 3.9365 -1.0441 -0.0005 C.ar 1 UNL1 -0.1523 14 C -2.8581 1.7268 0.0003 C.ar 1 UNL1 -0.0967 15 C -3.4928 -0.9894 -0.0002 C.ar 1 UNL1 -0.1022 16 C 4.0735 1.3751 0.0000 C.ar 1 UNL1 -0.1862 17 C 4.6957 0.0970 -0.0004 C.ar 1 UNL1 -0.1378 18 C -4.1941 1.3216 -0.0006 C.ar 1 UNL1 -0.1406 19 C -4.5102 -0.0333 -0.0008 C.ar 1 UNL1 -0.1357 20 H 1.5849 -2.9585 -0.0003 H 1 UNL1 0.1849 21 H 2.1671 2.4502 0.0005 H 1 UNL1 0.2101 22 H 4.3834 -2.0376 -0.0008 H 1 UNL1 0.1733 23 H -2.6026 2.7907 0.0004 H 1 UNL1 0.1760 24 H -3.7377 -2.0556 -0.0002 H 1 UNL1 0.1759 25 H 4.6968 2.2690 0.0002 H 1 UNL1 0.1732 26 H 5.7840 0.0459 -0.0006 H 1 UNL1 0.1629 27 H -4.9869 2.0684 -0.0014 H 1 UNL1 0.1534 28 H -5.5514 -0.3524 -0.0011 H 1 UNL1 0.1532 @BOND 1 27 18 1 2 28 19 1 3 22 13 1 4 19 18 ar 5 19 15 ar 6 26 17 1 7 18 14 ar 8 13 17 ar 9 13 6 ar 10 17 16 ar 11 20 7 1 12 6 7 ar 13 6 3 ar 14 15 24 1 15 15 10 ar 16 7 5 ar 17 1 8 2 18 3 12 ar 19 3 4 ar 20 16 12 ar 21 16 25 1 22 12 21 1 23 5 4 ar 24 5 11 1 25 10 11 1 26 10 9 ar 27 14 23 1 28 14 9 ar 29 4 8 1 30 8 9 1 31 11 2 2