@MOLECULE 2-amino-4-oxo-1,4-dihydro-7-pteridinecarboxylic acid 20 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.6388 1.0949 0.0149 C.ar 1 UNL1 0.5966 2 N 3.5681 2.1139 -0.0854 N.pl3 1 UNL1 -0.5994 3 O 2.5621 -2.3744 -0.0102 O.2 1 UNL1 -0.3314 4 C 2.1517 -1.2496 0.0009 C.ar 1 UNL1 0.5875 5 N 3.0354 -0.1551 0.0231 N.ar 1 UNL1 -0.6250 6 O -3.5500 1.6048 -0.0226 O.3 1 UNL1 -0.4765 7 C 0.6895 -0.8796 0.0056 C.ar 1 UNL1 -0.0882 8 N 1.2854 1.5027 0.0585 N.ar 1 UNL1 -0.5230 9 OXT -4.2456 -0.5203 0.0041 O.2 1 UNL1 -0.4745 10 C 0.3219 0.4996 0.0221 C.ar 1 UNL1 0.2858 11 N -0.9770 0.8896 0.0152 N.ar 1 UNL1 -0.3366 12 CA -1.8962 -0.0863 -0.0001 C.ar 1 UNL1 0.0455 13 N -0.2489 -1.8314 -0.0108 N.ar 1 UNL1 -0.2099 14 C -1.5375 -1.4562 -0.0122 C.ar 1 UNL1 -0.0308 15 C -3.3416 0.2759 -0.0050 C.2 1 UNL1 0.6221 16 H 4.5425 1.8410 -0.0596 H 1 UNL1 0.3342 17 H 3.3610 3.0291 0.2592 H 1 UNL1 0.3068 18 H -4.5197 1.8392 -0.0256 H 1 UNL1 0.3523 19 H 0.9906 2.4721 -0.0142 H 1 UNL1 0.3451 20 H -2.2943 -2.2550 -0.0246 H 1 UNL1 0.2195 @BOND 1 2 16 1 2 2 1 1 3 2 17 1 4 18 6 1 5 20 14 1 6 6 15 1 7 19 8 1 8 14 13 ar 9 14 12 ar 10 13 7 ar 11 3 4 2 12 15 12 1 13 15 9 2 14 12 11 ar 15 4 7 ar 16 4 5 ar 17 7 10 ar 18 1 5 ar 19 1 8 ar 20 11 10 ar 21 10 8 ar