@MOLECULE 5,7-diamino-2,3-dihydro-1,4-phthalazinedione 22 23 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.8769 2.2772 0.0476 O.2 1 UNL1 -0.5702 2 O -1.0700 -2.9289 -0.0337 O.2 1 UNL1 -0.4809 3 N -2.6261 0.1945 -0.1582 N.ar 1 UNL1 -0.4183 4 N -2.4218 -1.1622 0.1444 N.ar 1 UNL1 -0.4126 5 N 0.7630 2.8099 -0.0095 N.pl3 1 UNL1 -0.5899 6 N 3.6771 -1.0124 0.0011 N.pl3 1 UNL1 -0.6142 7 C -0.1965 0.5867 -0.0046 C.ar 1 UNL1 -0.3844 8 C 0.0285 -0.8001 0.0065 C.ar 1 UNL1 0.0847 9 C 0.9315 1.4570 -0.0042 C.ar 1 UNL1 0.4124 10 C 1.2883 -1.3462 0.0095 C.ar 1 UNL1 -0.3387 11 C -1.5505 1.0996 -0.0015 C.ar 1 UNL1 0.6168 12 C 2.4148 -0.4715 0.0020 C.ar 1 UNL1 0.3808 13 C -1.1406 -1.7181 -0.0004 C.ar 1 UNL1 0.5395 14 C 2.2366 0.9142 -0.0030 C.ar 1 UNL1 -0.4854 15 H 1.4266 -2.4254 0.0184 H 1 UNL1 0.1885 16 H 3.0911 1.5772 -0.0070 H 1 UNL1 0.1696 17 H -3.5503 0.5214 0.1455 H 1 UNL1 0.3198 18 H -3.2244 -1.7424 -0.1192 H 1 UNL1 0.3214 19 H -0.1710 3.2003 0.0024 H 1 UNL1 0.3460 20 H 1.5373 3.4332 0.0006 H 1 UNL1 0.3033 21 H 3.8159 -1.9985 0.0024 H 1 UNL1 0.3086 22 H 4.4868 -0.4353 -0.0063 H 1 UNL1 0.3033 @BOND 1 3 11 ar 2 3 4 ar 3 3 17 1 4 18 4 1 5 2 13 2 6 5 9 1 7 5 20 1 8 5 19 1 9 16 14 1 10 22 6 1 11 7 9 ar 12 7 11 ar 13 7 8 ar 14 9 14 ar 15 14 12 ar 16 11 1 2 17 13 8 ar 18 13 4 ar 19 6 12 1 20 6 21 1 21 12 10 ar 22 8 10 ar 23 10 15 1