@MOLECULE benzo[h]quinazolin-4(1h)-one 23 25 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.4285 -1.3577 0.0003 O.2 1 UNL1 -0.4178 2 N -0.9365 1.7972 -0.0001 N.ar 1 UNL1 -0.5067 3 N -3.1395 0.9004 0.0000 N.ar 1 UNL1 -0.5216 4 C 1.0761 0.3755 -0.0000 C.ar 1 UNL1 -0.1072 5 C -0.3542 0.5269 -0.0001 C.ar 1 UNL1 0.2334 6 C 1.6003 -0.9359 -0.0001 C.ar 1 UNL1 0.0709 7 C -1.1827 -0.5904 0.0000 C.ar 1 UNL1 -0.2744 8 C 0.7284 -2.0647 -0.0001 C.ar 1 UNL1 -0.2255 9 C -0.6267 -1.8931 -0.0000 C.ar 1 UNL1 -0.0366 10 C 1.9715 1.4761 0.0002 C.ar 1 UNL1 -0.1352 11 C 3.0100 -1.1183 -0.0002 C.ar 1 UNL1 -0.1659 12 C -2.6527 -0.4359 0.0000 C.ar 1 UNL1 0.5830 13 C 3.3301 1.2757 0.0003 C.ar 1 UNL1 -0.1519 14 C 3.8552 -0.0377 0.0001 C.ar 1 UNL1 -0.1166 15 C -2.3344 1.9118 -0.0002 C.ar 1 UNL1 0.3015 16 H 1.1666 -3.0616 -0.0001 H 1 UNL1 0.1679 17 H -1.3156 -2.7457 -0.0000 H 1 UNL1 0.1826 18 H 1.5836 2.4922 0.0004 H 1 UNL1 0.1388 19 H -0.3479 2.6183 -0.0014 H 1 UNL1 0.3217 20 H 3.4041 -2.1342 -0.0005 H 1 UNL1 0.1610 21 H 4.0178 2.1203 0.0006 H 1 UNL1 0.1564 22 H 4.9363 -0.1743 0.0002 H 1 UNL1 0.1551 23 H -2.7277 2.9433 -0.0002 H 1 UNL1 0.1872 @BOND 1 19 2 1 2 20 11 1 3 11 6 ar 4 11 14 ar 5 23 15 1 6 15 2 ar 7 15 3 ar 8 2 5 ar 9 16 8 1 10 8 6 ar 11 8 9 ar 12 5 7 ar 13 5 4 ar 14 6 4 ar 15 12 7 ar 16 12 3 ar 17 12 1 2 18 7 9 ar 19 17 9 1 20 4 10 ar 21 14 22 1 22 14 13 ar 23 10 13 ar 24 10 18 1 25 13 21 1