@MOLECULE 2,4-diamino-6-(hydroxymethyl)pteridin-7-ol 23 24 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.7263 1.0242 0.9591 O.3 1 UNL1 -0.5216 2 O -2.6848 -2.0553 -0.2004 O.2 1 UNL1 -0.4486 3 N -0.4628 -1.7374 -0.0244 N.ar 1 UNL1 -0.5098 4 N -0.9067 1.0449 -0.2424 N.ar 1 UNL1 -0.2128 5 N 1.8566 -1.3940 0.1151 N.ar 1 UNL1 -0.6256 6 N 2.7647 0.8843 0.0364 N.ar 1 UNL1 -0.6511 7 N 1.3761 2.7359 -0.1852 N.pl3 1 UNL1 -0.5367 8 N 4.1491 -0.9799 0.2316 N.pl3 1 UNL1 -0.5549 9 C 0.3554 0.5271 -0.1183 C.ar 1 UNL1 -0.3062 10 C 0.6125 -0.8742 -0.0033 C.ar 1 UNL1 0.4543 11 CA -1.9197 0.2316 -0.2645 C.ar 1 UNL1 -0.0118 12 C -1.7941 -1.2437 -0.1572 C.ar 1 UNL1 0.5474 13 C 1.5077 1.3899 -0.0855 C.ar 1 UNL1 0.5157 14 C -3.3106 0.7931 -0.3804 C.3 1 UNL1 0.0181 15 C 2.8876 -0.4808 0.1243 C.ar 1 UNL1 0.6067 16 H -0.3024 -2.7425 0.0620 H 1 UNL1 0.3452 17 H1 -4.0016 0.0740 -0.8628 H 1 UNL1 0.1403 18 H2 -3.3144 1.7582 -0.9249 H 1 UNL1 0.1339 19 H 2.1730 3.3373 -0.1466 H 1 UNL1 0.3202 20 H 0.4564 3.1387 -0.2059 H 1 UNL1 0.3340 21 H 4.2935 -1.9702 0.3091 H 1 UNL1 0.3292 22 H 4.9364 -0.3634 0.2564 H 1 UNL1 0.3260 23 H -4.6491 1.3490 0.9711 H 1 UNL1 0.3081 @BOND 1 18 14 1 2 17 14 1 3 14 11 1 4 14 1 1 5 11 4 ar 6 11 12 ar 7 4 9 ar 8 20 7 1 9 2 12 2 10 7 19 1 11 7 13 1 12 12 3 ar 13 9 13 ar 14 9 10 ar 15 13 6 ar 16 3 10 ar 17 3 16 1 18 10 5 ar 19 6 15 ar 20 5 15 ar 21 15 8 1 22 8 22 1 23 8 21 1 24 1 23 1