@MOLECULE 1-(3,4-dihydroxyphenyl)-1h-pyrrole-2,5-dione 22 23 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.9831 1.7786 -0.6222 O.3 1 UNL1111111111 -0.3905 2 O 4.1358 -0.5710 0.1330 O.3 1 UNL1111111111 -0.4103 3 O -2.0352 -2.1932 -0.5336 O.2 1 UNL1111111111 -0.2123 4 O -1.5687 2.2410 0.5609 O.2 1 UNL1111111111 -0.2669 5 N -1.3871 -0.0243 0.0298 N.am 1 UNL1111111111 -0.2205 6 C 0.0206 -0.1837 0.0685 C.ar 1 UNL1111111111 0.1287 7 C 0.8437 0.8918 -0.3007 C.ar 1 UNL1111111111 -0.4251 8 C 0.5677 -1.4073 0.4716 C.ar 1 UNL1111111111 -0.2638 9 C -2.3210 -1.0605 -0.2798 C.2 1 UNL1111111111 0.2692 10 C -2.0824 1.2005 0.2766 C.2 1 UNL1111111111 0.3338 11 C 2.2220 0.7196 -0.2582 C.ar 1 UNL1111111111 0.2336 12 C 1.9525 -1.5731 0.5050 C.ar 1 UNL1111111111 -0.1851 13 C 2.7723 -0.5149 0.1430 C.ar 1 UNL1111111111 -0.1163 14 C -3.6843 -0.4146 -0.2136 C.2 1 UNL1111111111 -0.1767 15 C -3.5479 0.8773 0.1066 C.2 1 UNL1111111111 -0.2368 16 H 0.4326 1.8543 -0.6092 H 1 UNL1111111111 0.2869 17 H -0.0783 -2.2388 0.7532 H 1 UNL1111111111 0.2477 18 H 2.3761 -2.5267 0.8118 H 1 UNL1111111111 0.2148 19 H -4.5677 -0.9961 -0.4117 H 1 UNL1111111111 0.2141 20 H -4.2897 1.6446 0.2449 H 1 UNL1111111111 0.2066 21 H 3.9518 1.5626 -0.5421 H 1 UNL1111111111 0.3850 22 H 4.4650 -1.4320 0.4860 H 1 UNL1111111111 0.3838 @BOND 1 1 11 1 2 1 21 1 3 2 13 1 4 2 22 1 5 3 9 2 6 4 10 2 7 5 6 1 8 5 9 am 9 5 10 am 10 6 7 ar 11 6 8 ar 12 7 11 ar 13 7 16 1 14 8 12 ar 15 8 17 1 16 9 14 1 17 10 15 1 18 11 13 ar 19 12 13 ar 20 12 18 1 21 14 15 2 22 14 19 1 23 15 20 1