HEADER    Ideal coordinates
 for PDB-CCD NDG
COMPND    NDG
AUTHOR    pdbccdutils 0.8.6
AUTHOR    RDKit 2023.09.6
HETATM    1  C1  NDG A   1      -0.207   1.202   0.140  1.00 20.00           C
HETATM    2  C2  NDG A   1      -0.859  -0.132  -0.234  1.00 20.00           C
HETATM    3  C3  NDG A   1       0.010  -1.280   0.290  1.00 20.00           C
HETATM    4  C4  NDG A   1       1.422  -1.141  -0.287  1.00 20.00           C
HETATM    5  C5  NDG A   1       1.986   0.231   0.088  1.00 20.00           C
HETATM    6  C6  NDG A   1       3.372   0.401  -0.535  1.00 20.00           C
HETATM    7  C7  NDG A   1      -3.250   0.333  -0.261  1.00 20.00           C
HETATM    8  C8  NDG A   1      -4.621   0.252   0.360  1.00 20.00           C
HETATM    9  O5  NDG A   1       1.115   1.253  -0.402  1.00 20.00           O
HETATM   10  O3  NDG A   1      -0.553  -2.529  -0.117  1.00 20.00           O
HETATM   11  O4  NDG A   1       2.260  -2.165   0.252  1.00 20.00           O
HETATM   12  O6  NDG A   1       3.947   1.632  -0.090  1.00 20.00           O
HETATM   13  O7  NDG A   1      -3.100   0.890  -1.328  1.00 20.00           O
HETATM   14  N2  NDG A   1      -2.191  -0.212   0.370  1.00 20.00           N
HETATM   15  O1  NDG A   1      -0.144   1.320   1.562  1.00 20.00           O
HETATM   16  H1  NDG A   1      -0.799   2.022  -0.268  1.00 20.00           H
HETATM   17  H2  NDG A   1      -0.944  -0.205  -1.318  1.00 20.00           H
HETATM   18  H3  NDG A   1       0.054  -1.236   1.378  1.00 20.00           H
HETATM   19  H4  NDG A   1       1.383  -1.235  -1.372  1.00 20.00           H
HETATM   20  H5  NDG A   1       2.062   0.309   1.173  1.00 20.00           H
HETATM   21  H61 NDG A   1       4.011  -0.428  -0.231  1.00 20.00           H
HETATM   22  H62 NDG A   1       3.284   0.413  -1.621  1.00 20.00           H
HETATM   23  H81 NDG A   1      -5.119  -0.657   0.022  1.00 20.00           H
HETATM   24  H82 NDG A   1      -4.528   0.233   1.446  1.00 20.00           H
HETATM   25  H83 NDG A   1      -5.208   1.120   0.061  1.00 20.00           H
HETATM   26  HO3 NDG A   1      -0.052  -3.301   0.181  1.00 20.00           H
HETATM   27  HO4 NDG A   1       3.172  -2.138  -0.071  1.00 20.00           H
HETATM   28  HO6 NDG A   1       4.829   1.806  -0.447  1.00 20.00           H
HETATM   29  HN2 NDG A   1      -2.312  -0.657   1.223  1.00 20.00           H
HETATM   30  HO1 NDG A   1       0.258   2.143   1.871  1.00 20.00           H
CONECT    1    2    9   15   16
CONECT    2    3   14   17
CONECT    3    4   10   18
CONECT    4    5   11   19
CONECT    5    6    9   20
CONECT    6   12   21   22
CONECT    7    8   13   13   14
CONECT    8   23   24   25
CONECT   10   26
CONECT   11   27
CONECT   12   28
CONECT   14   29
CONECT   15   30
END