@MOLECULE 2,4-diamino-6-methylpteridin-7-ol 22 23 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.2089 -1.6040 0.0005 O.2 1 UNL1 -0.4549 2 N -0.9600 -1.5461 -0.0003 N.ar 1 UNL1 -0.5095 3 N -1.0963 1.2810 0.0002 N.ar 1 UNL1 -0.2574 4 N 1.3824 -1.4753 -0.0012 N.ar 1 UNL1 -0.6238 5 N 2.5504 0.6788 0.0012 N.ar 1 UNL1 -0.6502 6 N 1.3991 2.6903 -0.0010 N.pl3 1 UNL1 -0.5417 7 N 3.7113 -1.3432 0.0007 N.pl3 1 UNL1 -0.5589 8 C 0.1098 0.6175 -0.0003 C.ar 1 UNL1 -0.2988 9 C 0.2064 -0.8055 -0.0008 C.ar 1 UNL1 0.4447 10 C -2.1932 0.5861 0.0001 C.ar 1 UNL1 0.0565 11 C 1.3572 1.3344 0.0001 C.ar 1 UNL1 0.5131 12 C -2.2253 -0.9047 0.0000 C.ar 1 UNL1 0.5294 13 C 2.5144 -0.6928 0.0002 C.ar 1 UNL1 0.6042 14 C -3.5215 1.2542 0.0004 C.3 1 UNL1 -0.4204 15 H -0.9070 -2.5664 -0.0005 H 1 UNL1 0.3454 16 H -4.1120 0.9658 -0.8849 H 1 UNL1 0.1721 17 H -3.4349 2.3515 0.0009 H 1 UNL1 0.1696 18 H -4.1121 0.9649 0.8852 H 1 UNL1 0.1721 19 H 2.2734 3.1773 0.0006 H 1 UNL1 0.3213 20 H 0.5417 3.2141 0.0000 H 1 UNL1 0.3330 21 H 3.7396 -2.3443 -0.0003 H 1 UNL1 0.3286 22 H 4.5667 -0.8244 0.0014 H 1 UNL1 0.3256 @BOND 1 16 14 1 2 4 9 ar 3 4 13 ar 4 6 20 1 5 6 11 1 6 6 19 1 7 9 2 ar 8 9 8 ar 9 15 2 1 10 21 7 1 11 2 12 ar 12 8 11 ar 13 8 3 ar 14 12 10 ar 15 12 1 2 16 10 3 ar 17 10 14 1 18 11 5 ar 19 13 7 1 20 13 5 ar 21 14 17 1 22 14 18 1 23 7 22 1