HEADER    Ideal coordinates
 for PDB-CCD V55
COMPND    V55
AUTHOR    pdbccdutils 0.8.6
AUTHOR    RDKit 2023.09.6
HETATM    1  CAI V55 A   1      -1.351  -0.175   0.002  1.00 20.00           C
HETATM    2  CAG V55 A   1      -0.159  -0.910   0.000  1.00 20.00           C
HETATM    3  CAK V55 A   1       1.054  -0.250   0.008  1.00 20.00           C
HETATM    4  CAJ V55 A   1       1.090   1.144   0.018  1.00 20.00           C
HETATM    5  CAF V55 A   1      -0.092   1.874   0.020  1.00 20.00           C
HETATM    6  OAB V55 A   1      -3.676  -0.232  -0.011  1.00 20.00           O
HETATM    7  CAE V55 A   1      -1.306   1.224   0.006  1.00 20.00           C
HETATM    8  CAD V55 A   1      -2.645  -0.870  -0.008  1.00 20.00           C
HETATM    9  CAA V55 A   1       2.028  -2.378  -0.002  1.00 20.00           C
HETATM   10  OAH V55 A   1       2.214  -0.961   0.007  1.00 20.00           O
HETATM   11  OAC V55 A   1       2.284   1.790   0.026  1.00 20.00           O
HETATM   12  HAG V55 A   1      -0.188  -1.989  -0.007  1.00 20.00           H
HETATM   13  HAD V55 A   1      -2.677  -1.950  -0.011  1.00 20.00           H
HETATM   14  HAE V55 A   1      -2.224   1.794   0.002  1.00 20.00           H
HETATM   15  HAF V55 A   1      -0.059   2.953   0.027  1.00 20.00           H
HETATM   16  HAC V55 A   1       2.632   1.983  -0.855  1.00 20.00           H
HETATM   17 HAA1 V55 A   1       2.999  -2.871  -0.002  1.00 20.00           H
HETATM   18 HAA2 V55 A   1       1.468  -2.677   0.884  1.00 20.00           H
HETATM   19 HAA3 V55 A   1       1.474  -2.665  -0.896  1.00 20.00           H
CONECT    1    2    2    8    7
CONECT    2    3   12
CONECT    3    4    4   10
CONECT    4    5   11
CONECT    5    7    7   15
CONECT    6    8    8
CONECT    7   14
CONECT    8   13
CONECT    9   10   17   18   19
CONECT   11   16
END