@MOLECULE (1r,2r)-9-nitro-1,2-dihydro-1,2-anthracenediol 19 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.2915 -1.4787 -0.3593 O.2 1 UNL1 -0.2827 2 O 4.5056 0.1321 0.1456 O.2 1 UNL1 -0.2594 3 O 0.1792 -2.4916 1.1003 O.2 1 UNL1 -0.3427 4 O -0.6212 -2.6610 -0.9058 O.2 1 UNL1 -0.3381 5 N -0.2568 -2.0337 0.0653 N.pl3 1 UNL1 0.6187 6 C 2.1113 -0.3212 -0.1270 C.2 1 UNL1 0.3227 7 C 0.7122 0.2577 -0.0449 C.ar 1 UNL1 -0.0921 8 C 3.4206 0.6029 0.0350 C.2 1 UNL1 0.4000 9 C 0.4899 1.7061 -0.0412 C.ar 1 UNL1 -0.0022 10 C -0.3989 -0.5608 0.0040 C.ar 1 UNL1 -0.0012 11 C -1.7367 -0.0796 0.0177 C.ar 1 UNL1 0.0027 12 C -1.9624 1.3992 -0.0058 C.ar 1 UNL1 -0.0161 13 C -0.7927 2.1125 -0.0280 C.ar 1 UNL1 0.0842 14 C 2.8946 1.9189 0.0087 C.2 1 UNL1 -0.1643 15 C 1.7324 2.3489 -0.0197 C.2 1 UNL1 0.0132 16 C -2.9061 -0.8190 0.0516 C.ar 1 UNL1 -0.0097 17 C -3.2870 1.8029 0.0051 C.ar 1 UNL1 0.0051 18 C -4.1238 -0.3324 0.0581 C.ar 1 UNL1 0.0377 19 C -4.3194 0.9928 0.0359 C.ar 1 UNL1 0.0241 @BOND 1 4 5 2 2 1 6 2 3 6 7 1 4 6 8 1 5 7 9 ar 6 7 10 ar 7 9 13 ar 8 9 15 1 9 13 12 ar 10 15 14 2 11 12 17 ar 12 12 11 ar 13 10 11 ar 14 10 5 1 15 17 19 ar 16 14 8 1 17 11 16 ar 18 8 2 2 19 19 18 ar 20 16 18 ar 21 5 3 2