@MOLECULE 9,10-phenanthraquinone 24 26 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.3581 -2.7387 0.0061 O.2 1 UNL1 -0.3446 2 O 1.3596 -2.7375 -0.0058 O.2 1 UNL1 -0.3447 3 C -0.7348 0.8230 -0.0005 C.ar 1 UNL1 0.0279 4 C 0.7337 0.8227 0.0001 C.ar 1 UNL1 0.0279 5 C -1.4472 -0.3865 0.0004 C.ar 1 UNL1 -0.1628 6 C 1.4469 -0.3860 -0.0007 C.ar 1 UNL1 -0.1629 7 C -0.7626 -1.6915 0.0019 C.2 1 UNL1 0.3481 8 C 0.7631 -1.6910 -0.0020 C.2 1 UNL1 0.3481 9 C -1.4589 2.0201 -0.0015 C.ar 1 UNL1 -0.1718 10 C 1.4587 2.0199 0.0016 C.ar 1 UNL1 -0.1719 11 C -2.8440 -0.3917 0.0002 C.ar 1 UNL1 -0.0660 12 C 2.8437 -0.3910 -0.0002 C.ar 1 UNL1 -0.0660 13 C -2.8522 2.0128 -0.0019 C.ar 1 UNL1 -0.0997 14 C 2.8519 2.0133 0.0021 C.ar 1 UNL1 -0.0996 15 C -3.5502 0.8076 -0.0011 C.ar 1 UNL1 -0.1706 16 C 3.5499 0.8081 0.0012 C.ar 1 UNL1 -0.1707 17 H -0.9406 2.9788 -0.0022 H 1 UNL1 0.1567 18 H 0.9401 2.9782 0.0024 H 1 UNL1 0.1566 19 H -3.3777 -1.3478 0.0010 H 1 UNL1 0.1754 20 H 3.3772 -1.3473 -0.0010 H 1 UNL1 0.1755 21 H -3.3968 2.9569 -0.0028 H 1 UNL1 0.1508 22 H 3.3960 2.9576 0.0033 H 1 UNL1 0.1508 23 H -4.6383 0.8029 -0.0014 H 1 UNL1 0.1568 24 H 4.6380 0.8035 0.0016 H 1 UNL1 0.1568 @BOND 1 2 8 2 2 21 13 1 3 17 9 1 4 8 6 1 5 8 7 1 6 13 9 ar 7 13 15 ar 8 9 3 ar 9 23 15 1 10 15 11 ar 11 20 12 1 12 6 12 ar 13 6 4 ar 14 3 4 1 15 3 5 ar 16 12 16 ar 17 4 10 ar 18 11 5 ar 19 11 19 1 20 5 7 1 21 16 24 1 22 16 14 ar 23 10 14 ar 24 10 18 1 25 7 1 2 26 14 22 1