@MOLECULE diaminoanthraquinone 28 30 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.0986 2.4691 -0.0113 O.2 1 UNL1111 -0.5010 2 O -0.9792 -2.8013 0.0529 O.2 1 UNL1111 -0.4312 3 N 2.5168 2.1183 0.0765 N.pl3 1 UNL1111 -0.5947 4 N 4.5974 0.2688 -0.0545 N.pl3 1 UNL1111 -0.6101 5 C 0.8635 0.3183 0.0169 C.ar 1 UNL1111 -0.2508 6 C 0.6107 -1.0721 0.0032 C.ar 1 UNL1111 -0.1056 7 C -1.6472 0.7297 -0.0014 C.ar 1 UNL1111 -0.1102 8 C -1.8938 -0.6442 0.0092 C.ar 1 UNL1111 -0.1082 9 C -0.2619 1.2617 0.0043 C.2 1 UNL1111 0.4957 10 C -0.7696 -1.6086 0.0256 C.2 1 UNL1111 0.4549 11 C 2.1909 0.7757 0.0063 C.ar 1 UNL1111 0.2451 12 C 1.6445 -1.9851 -0.0424 C.ar 1 UNL1111 -0.1018 13 C 3.2650 -0.1932 -0.0009 C.ar 1 UNL1111 0.1179 14 C 2.9776 -1.5453 -0.0431 C.ar 1 UNL1111 -0.2139 15 C -2.7134 1.6280 -0.0180 C.ar 1 UNL1111 -0.0957 16 C -3.2031 -1.1207 0.0020 C.ar 1 UNL1111 -0.1016 17 C -4.0244 1.1504 -0.0266 C.ar 1 UNL1111 -0.1409 18 C -4.2691 -0.2206 -0.0169 C.ar 1 UNL1111 -0.1373 19 H 1.4308 -3.0580 -0.0674 H 1 UNL1111 0.1793 20 H 3.7773 -2.2832 -0.0673 H 1 UNL1111 0.1602 21 H -2.5142 2.7035 -0.0247 H 1 UNL1111 0.1766 22 H -3.3854 -2.1986 0.0108 H 1 UNL1111 0.1755 23 H -4.8563 1.8532 -0.0412 H 1 UNL1111 0.1541 24 H -5.2925 -0.5931 -0.0239 H 1 UNL1111 0.1543 25 H 3.3670 2.4250 -0.3558 H 1 UNL1111 0.2961 26 H 1.7534 2.7851 0.0425 H 1 UNL1111 0.3326 27 H 5.3026 -0.4482 -0.0454 H 1 UNL1111 0.2790 28 H 4.8251 1.0180 0.5787 H 1 UNL1111 0.2816 @BOND 1 1 9 2 2 2 10 2 3 3 11 1 4 3 25 1 5 3 26 1 6 4 13 1 7 4 27 1 8 4 28 1 9 5 6 ar 10 5 9 1 11 5 11 ar 12 6 10 1 13 6 12 ar 14 7 8 ar 15 7 9 1 16 7 15 ar 17 8 10 1 18 8 16 ar 19 11 13 ar 20 12 14 ar 21 12 19 1 22 13 14 ar 23 14 20 1 24 15 17 ar 25 15 21 1 26 16 18 ar 27 16 22 1 28 17 18 ar 29 17 23 1 30 18 24 1