HEADER    Model coordinates
 for PDB-CCD HIS
COMPND    HIS
AUTHOR    pdbccdutils 0.8.6
AUTHOR    RDKit 2023.09.6
HETATM    1  N   HIS A   1      33.472  42.685  -4.610  1.00 20.00           N
HETATM    2  CA  HIS A   1      33.414  41.686  -5.673  1.00 20.00           C
HETATM    3  C   HIS A   1      33.773  42.279  -7.040  1.00 20.00           C
HETATM    4  O   HIS A   1      33.497  43.444  -7.337  1.00 20.00           O
HETATM    5  CB  HIS A   1      32.005  41.080  -5.734  1.00 20.00           C
HETATM    6  CG  HIS A   1      31.888  39.902  -6.651  1.00 20.00           C
HETATM    7  ND1 HIS A   1      32.539  38.710  -6.414  1.00 20.00           N
HETATM    8  CD2 HIS A   1      31.199  39.734  -7.804  1.00 20.00           C
HETATM    9  CE1 HIS A   1      32.251  37.857  -7.382  1.00 20.00           C
HETATM   10  NE2 HIS A   1      31.439  38.453  -8.237  1.00 20.00           N
HETATM   11  OXT HIS A   1      34.382  41.455  -7.879  1.00 20.00           O
HETATM   12  H   HIS A   1      33.485  42.227  -3.721  1.00 20.00           H
HETATM   13  H2  HIS A   1      34.301  43.234  -4.714  1.00 20.00           H
HETATM   14  HA  HIS A   1      34.155  40.908  -5.439  1.00 20.00           H
HETATM   15  HB2 HIS A   1      31.733  40.750  -4.721  1.00 20.00           H
HETATM   16  HB3 HIS A   1      31.337  41.860  -6.127  1.00 20.00           H
HETATM   17  HD1 HIS A   1      33.135  38.521  -5.633  1.00 20.00           H
HETATM   18  HD2 HIS A   1      30.577  40.470  -8.292  1.00 20.00           H
HETATM   19  HE1 HIS A   1      32.618  36.844  -7.461  1.00 20.00           H
HETATM   20  HE2 HIS A   1      31.061  38.039  -9.065  1.00 20.00           H
HETATM   21  HXT HIS A   1      34.553  41.905  -8.698  1.00 20.00           H
CONECT    1    2   12   13
CONECT    2    3    5   14
CONECT    3    4    4   11
CONECT    5    6   15   16
CONECT    6    7    8    8
CONECT    7    9    9   17
CONECT    8   10   18
CONECT    9   10   19
CONECT   10   20
CONECT   11   21
END