HEADER    Ideal coordinates
 for PDB-CCD SRO
COMPND    SRO
AUTHOR    pdbccdutils 0.8.6
AUTHOR    RDKit 2023.09.6
HETATM    1  OH  SRO A   1      -2.747   2.407  -0.069  1.00 20.00           O
HETATM    2  CZ3 SRO A   1      -2.163   1.180  -0.014  1.00 20.00           C
HETATM    3  CH2 SRO A   1      -2.936   0.056   0.269  1.00 20.00           C
HETATM    4  CZ2 SRO A   1      -2.361  -1.193   0.329  1.00 20.00           C
HETATM    5  CE2 SRO A   1      -0.996  -1.342   0.104  1.00 20.00           C
HETATM    6  NE1 SRO A   1      -0.152  -2.432   0.094  1.00 20.00           N
HETATM    7  CD1 SRO A   1       1.125  -2.028  -0.186  1.00 20.00           C
HETATM    8  CG  SRO A   1       1.156  -0.698  -0.364  1.00 20.00           C
HETATM    9  CD2 SRO A   1      -0.213  -0.209  -0.182  1.00 20.00           C
HETATM   10  CE3 SRO A   1      -0.808   1.053  -0.245  1.00 20.00           C
HETATM   11  CB  SRO A   1       2.369   0.135  -0.687  1.00 20.00           C
HETATM   12  CA  SRO A   1       2.958   0.702   0.606  1.00 20.00           C
HETATM   13  NZ  SRO A   1       4.141   1.514   0.290  1.00 20.00           N
HETATM   14  HOH SRO A   1      -3.074   2.648  -0.947  1.00 20.00           H
HETATM   15  HH2 SRO A   1      -3.996   0.166   0.445  1.00 20.00           H
HETATM   16  HZ2 SRO A   1      -2.969  -2.058   0.550  1.00 20.00           H
HETATM   17 HNE1 SRO A   1      -0.422  -3.348   0.262  1.00 20.00           H
HETATM   18  HD1 SRO A   1       1.982  -2.683  -0.254  1.00 20.00           H
HETATM   19  HE3 SRO A   1      -0.211   1.924  -0.469  1.00 20.00           H
HETATM   20  HB1 SRO A   1       3.114  -0.486  -1.185  1.00 20.00           H
HETATM   21  HB2 SRO A   1       2.082   0.955  -1.346  1.00 20.00           H
HETATM   22  HA1 SRO A   1       2.213   1.323   1.103  1.00 20.00           H
HETATM   23  HA2 SRO A   1       3.246  -0.118   1.264  1.00 20.00           H
HETATM   24 HNZ1 SRO A   1       3.914   2.243  -0.370  1.00 20.00           H
HETATM   25 HNZ2 SRO A   1       4.549   1.900   1.128  1.00 20.00           H
CONECT    1    2   14
CONECT    2   10   10    3
CONECT    3    4    4   15
CONECT    4    5   16
CONECT    5    6    9    9
CONECT    6    7   17
CONECT    7    8    8   18
CONECT    8   11    9
CONECT    9   10
CONECT   10   19
CONECT   11   12   20   21
CONECT   12   13   22   23
CONECT   13   24   25
END