@MOLECULE 2-amino-8-methyl-4-oxo-1,4,7,8-tetrahydro-6-pteridinecarboxylic acid 25 26 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.1589 -2.8822 0.0084 O.2 1 UNL1 -0.4204 2 C -1.2907 -1.6890 0.0015 C.ar 1 UNL1 0.6487 3 N -2.6904 -1.2535 -0.0133 N.ar 1 UNL1 -0.6407 4 C -3.0240 0.0850 -0.0172 C.ar 1 UNL1 0.6243 5 N -4.3510 0.4409 0.0077 N.pl3 1 UNL1 -0.6076 6 N -2.1245 1.0851 -0.0221 N.ar 1 UNL1 -0.6440 7 C -0.3387 -0.6118 0.0063 C.ar 1 UNL1 -0.3570 8 C -0.7865 0.7501 0.0066 C.ar 1 UNL1 0.4810 9 N 0.1090 1.7562 0.0381 N.pl3 1 UNL1 -0.3308 10 C -0.2720 3.1667 -0.0048 C.3 1 UNL1 -0.2353 11 C 1.5619 1.4926 0.0418 C.3 1 UNL1 -0.0861 12 N 0.9891 -0.9422 0.0004 N.2 1 UNL1 -0.1033 13 CA 1.8669 0.0077 0.0101 C.2 1 UNL1 -0.1014 14 C 3.3131 -0.2768 -0.0143 C.2 1 UNL1 0.6483 15 O 4.1808 0.5662 -0.0589 O.2 1 UNL1 -0.5468 16 OXT 3.6181 -1.5894 0.0231 O.3 1 UNL1 -0.4745 17 H -3.3971 -1.9843 0.0017 H 1 UNL1 0.3323 18 H -5.0795 -0.2259 -0.1236 H 1 UNL1 0.3161 19 H -4.5930 1.4161 -0.0335 H 1 UNL1 0.3336 20 H -1.3620 3.2993 0.1537 H 1 UNL1 0.1847 21 H 0.2515 3.7281 0.7896 H 1 UNL1 0.1531 22 H -0.0211 3.6071 -0.9871 H 1 UNL1 0.1526 23 H 2.0328 1.9985 -0.8386 H 1 UNL1 0.1668 24 HXT 4.5995 -1.7479 0.0047 H 1 UNL1 0.3407 25 H 2.0102 1.9541 0.9579 H 1 UNL1 0.1656 @BOND 1 22 10 1 2 23 11 1 3 18 5 1 4 15 14 2 5 19 5 1 6 6 4 ar 7 6 8 ar 8 4 3 ar 9 4 5 1 10 14 13 1 11 14 16 1 12 3 2 ar 13 3 17 1 14 10 9 1 15 10 20 1 16 10 21 1 17 12 7 1 18 12 13 2 19 2 7 ar 20 2 1 2 21 24 16 1 22 7 8 ar 23 8 9 1 24 13 11 1 25 9 11 1 26 11 25 1