HEADER    Ideal coordinates
 for PDB-CCD NAG
COMPND    NAG
AUTHOR    pdbccdutils 0.8.6
AUTHOR    RDKit 2023.09.6
HETATM    1  C1  NAG A   1       0.185   1.082  -0.421  1.00 20.00           C
HETATM    2  C2  NAG A   1       0.790  -0.220   0.112  1.00 20.00           C
HETATM    3  C3  NAG A   1      -0.124  -1.390  -0.265  1.00 20.00           C
HETATM    4  C4  NAG A   1      -1.526  -1.129   0.294  1.00 20.00           C
HETATM    5  C5  NAG A   1      -2.042   0.207  -0.246  1.00 20.00           C
HETATM    6  C6  NAG A   1      -3.417   0.504   0.355  1.00 20.00           C
HETATM    7  C7  NAG A   1       3.197   0.157   0.076  1.00 20.00           C
HETATM    8  C8  NAG A   1       4.559  -0.052  -0.533  1.00 20.00           C
HETATM    9  N2  NAG A   1       2.114  -0.422  -0.480  1.00 20.00           N
HETATM   10  O1  NAG A   1       1.003   2.185  -0.024  1.00 20.00           O
HETATM   11  O3  NAG A   1       0.395  -2.600   0.291  1.00 20.00           O
HETATM   12  O4  NAG A   1      -2.405  -2.180  -0.114  1.00 20.00           O
HETATM   13  O5  NAG A   1      -1.130   1.248   0.113  1.00 20.00           O
HETATM   14  O6  NAG A   1      -3.949   1.691  -0.236  1.00 20.00           O
HETATM   15  O7  NAG A   1       3.074   0.845   1.067  1.00 20.00           O
HETATM   16  H1  NAG A   1       0.133   1.040  -1.509  1.00 20.00           H
HETATM   17  H2  NAG A   1       0.879  -0.163   1.197  1.00 20.00           H
HETATM   18  H3  NAG A   1      -0.174  -1.478  -1.350  1.00 20.00           H
HETATM   19  H4  NAG A   1      -1.483  -1.091   1.382  1.00 20.00           H
HETATM   20  H5  NAG A   1      -2.123   0.154  -1.332  1.00 20.00           H
HETATM   21  H61 NAG A   1      -4.088  -0.333   0.157  1.00 20.00           H
HETATM   22  H62 NAG A   1      -3.320   0.645   1.431  1.00 20.00           H
HETATM   23  H81 NAG A   1       4.560   0.320  -1.558  1.00 20.00           H
HETATM   24  H82 NAG A   1       5.305   0.490   0.050  1.00 20.00           H
HETATM   25  H83 NAG A   1       4.799  -1.115  -0.532  1.00 20.00           H
HETATM   26  HN2 NAG A   1       2.212  -0.973  -1.273  1.00 20.00           H
HETATM   27  HO1 NAG A   1       0.679   3.044  -0.328  1.00 20.00           H
HETATM   28  HO3 NAG A   1      -0.135  -3.384   0.091  1.00 20.00           H
HETATM   29  HO4 NAG A   1      -3.312  -2.079   0.206  1.00 20.00           H
HETATM   30  HO6 NAG A   1      -4.822   1.940   0.099  1.00 20.00           H
CONECT    1    2   10   13   16
CONECT    2    3    9   17
CONECT    3    4   11   18
CONECT    4    5   12   19
CONECT    5    6   13   20
CONECT    6   14   21   22
CONECT    7    8    9   15   15
CONECT    8   23   24   25
CONECT    9   26
CONECT   10   27
CONECT   11   28
CONECT   12   29
CONECT   14   30
END