@MOLECULE (1r,2r)-10-nitro-1,2-dihydro-1,2-anthracenediol 19 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.8993 -2.2096 0.0077 O.2 1 UNL1 -0.2989 2 O 4.7864 -0.1633 0.0039 O.2 1 UNL1 -0.2611 3 O -0.4978 3.1496 0.0282 O.2 1 UNL1 -0.3519 4 O -2.5308 2.4282 -0.0194 O.2 1 UNL1 -0.3539 5 N -1.3259 2.2591 0.0017 N.pl3 1 UNL1 0.6184 6 C 2.5070 -1.0821 0.0001 C.2 1 UNL1 0.3570 7 C 1.0491 -0.7371 -0.0053 C.ar 1 UNL1 -0.2103 8 C 0.5234 0.6330 -0.0070 C.ar 1 UNL1 0.1215 9 C 3.6241 0.0840 -0.0016 C.2 1 UNL1 0.3844 10 C -0.8369 0.8788 -0.0038 C.ar 1 UNL1 -0.0737 11 C 0.0805 -1.6677 -0.0048 C.ar 1 UNL1 0.1470 12 C -1.7927 -0.1729 -0.0017 C.ar 1 UNL1 0.0348 13 C -1.2920 -1.5792 -0.0029 C.ar 1 UNL1 -0.0564 14 C 1.6372 1.4848 -0.0096 C.2 1 UNL1 -0.0014 15 C 2.8598 1.2823 -0.0077 C.2 1 UNL1 -0.1366 16 C -3.1718 -0.0662 0.0030 C.ar 1 UNL1 0.0105 17 C -2.2675 -2.5601 0.0006 C.ar 1 UNL1 0.0193 18 C -4.0172 -1.0715 0.0063 C.ar 1 UNL1 0.0397 19 C -3.5604 -2.3298 0.0054 C.ar 1 UNL1 0.0116 @BOND 1 4 5 2 2 14 15 2 3 14 8 1 4 15 9 1 5 8 7 ar 6 8 10 ar 7 7 11 ar 8 7 6 1 9 11 13 ar 10 10 12 ar 11 10 5 1 12 13 12 ar 13 13 17 ar 14 12 16 ar 15 9 6 1 16 9 2 2 17 6 1 2 18 17 19 ar 19 5 3 2 20 16 18 ar 21 19 18 ar