@MOLECULE 5,8-dihydroxy-1,4-naphthoquinone 20 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.7606 -1.2505 0.0007 O.3 1 UNL1 -0.4624 2 O 2.6889 -1.2910 0.0007 O.3 1 UNL1 -0.3996 3 O -2.6202 1.3632 0.0002 O.2 1 UNL1 -0.4857 4 O 2.7058 1.2439 -0.0001 O.2 1 UNL1 -0.3698 5 C -0.7006 0.0087 -0.0003 C.ar 1 UNL1 -0.2651 6 C 0.7137 -0.0371 -0.0003 C.ar 1 UNL1 -0.1631 7 C -1.4214 -1.1843 -0.0003 C.ar 1 UNL1 0.3098 8 C 1.3373 -1.2784 0.0000 C.ar 1 UNL1 0.2528 9 C -1.4020 1.2991 -0.0001 C.2 1 UNL1 0.4920 10 C 1.4989 1.2146 -0.0001 C.2 1 UNL1 0.4379 11 C -0.7711 -2.4476 -0.0005 C.ar 1 UNL1 -0.1582 12 C 0.5986 -2.4902 -0.0003 C.ar 1 UNL1 -0.2078 13 C -0.5949 2.5369 -0.0000 C.2 1 UNL1 -0.2176 14 C 0.7382 2.4976 -0.0000 C.2 1 UNL1 -0.1760 15 H -1.3843 -3.3501 -0.0007 H 1 UNL1 0.1844 16 H 1.1291 -3.4414 -0.0003 H 1 UNL1 0.1673 17 H -1.1689 3.4666 0.0000 H 1 UNL1 0.1859 18 H 1.3619 3.3950 0.0001 H 1 UNL1 0.1814 19 H -3.1707 -0.3191 0.0010 H 1 UNL1 0.3779 20 H 3.0522 -2.2142 0.0006 H 1 UNL1 0.3159 @BOND 1 15 11 1 2 11 12 ar 3 11 7 ar 4 16 12 1 5 12 8 ar 6 5 6 ar 7 5 7 ar 8 5 9 1 9 6 10 1 10 6 8 ar 11 7 1 1 12 10 4 2 13 10 14 1 14 9 13 1 15 9 3 2 16 17 13 1 17 8 2 1 18 13 14 2 19 14 18 1 20 20 2 1 21 1 19 1