@MOLECULE 2-amino-6,7-dimethyl-5,6,7,8-tetrahydropteridin-4-ol 27 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.2209 2.5792 0.4413 O.2 1 UNL1 -0.4507 2 N 1.1003 -1.5454 -0.3782 N.pl3 1 UNL1 -0.5274 3 N 1.2443 1.2062 0.4817 N.pl3 1 UNL1 -0.4694 4 N -1.2823 -1.4051 -0.2490 N.ar 1 UNL1 -0.5391 5 N -2.4276 0.6777 0.0979 N.ar 1 UNL1 -0.6049 6 N -3.6490 -1.3135 -0.1615 N.pl3 1 UNL1 -0.6096 7 C 2.3922 -0.9398 0.0332 C.3 1 UNL1 0.0739 8 C 2.3951 0.6034 -0.2186 C.3 1 UNL1 0.0578 9 C -0.0375 -0.7655 -0.0953 C.ar 1 UNL1 0.2927 10 C 0.0165 0.5781 0.1806 C.ar 1 UNL1 -0.1701 11 C 2.7102 -1.2334 1.5040 C.3 1 UNL1 -0.4945 12 C 2.4137 0.9000 -1.7237 C.3 1 UNL1 -0.4937 13 C -1.2206 1.3832 0.2705 C.ar 1 UNL1 0.5964 14 C -2.4351 -0.6155 -0.1182 C.ar 1 UNL1 0.5654 15 H 3.1684 -1.4106 -0.6277 H 1 UNL1 0.1457 16 H 3.3166 1.0339 0.2578 H 1 UNL1 0.1480 17 H 1.0332 -2.5274 -0.1239 H 1 UNL1 0.2848 18 H 1.1930 2.2243 0.3892 H 1 UNL1 0.3017 19 H 1.9989 -0.7163 2.1688 H 1 UNL1 0.1837 20 H 2.6691 -2.3015 1.7323 H 1 UNL1 0.1428 21 H 3.7101 -0.8771 1.7750 H 1 UNL1 0.1573 22 H 3.3196 0.5152 -2.2009 H 1 UNL1 0.1498 23 H 1.5556 0.4370 -2.2305 H 1 UNL1 0.1689 24 H 2.3649 1.9767 -1.9208 H 1 UNL1 0.1558 25 H -1.3279 -2.3966 -0.4197 H 1 UNL1 0.3237 26 H -4.4720 -0.7311 -0.0437 H 1 UNL1 0.3207 27 H -3.7584 -2.0256 -0.8584 H 1 UNL1 0.2903 @BOND 1 23 12 1 2 22 12 1 3 24 12 1 4 12 8 1 5 27 6 1 6 15 7 1 7 25 4 1 8 2 17 1 9 2 9 1 10 2 7 1 11 4 14 ar 12 4 9 ar 13 8 7 1 14 8 16 1 15 8 3 1 16 6 14 1 17 6 26 1 18 14 5 ar 19 9 10 ar 20 7 11 1 21 5 13 ar 22 10 13 ar 23 10 3 1 24 13 1 2 25 18 3 1 26 11 20 1 27 11 21 1 28 11 19 1