HEADER    Model coordinates
 for PDB-CCD SRO
COMPND    SRO
AUTHOR    pdbccdutils 0.8.6
AUTHOR    RDKit 2023.09.6
HETATM    1  OH  SRO A   1      16.517 -13.477  -4.024  1.00 20.00           O
HETATM    2  CZ3 SRO A   1      17.384 -12.477  -4.338  1.00 20.00           C
HETATM    3  CH2 SRO A   1      16.974 -11.172  -4.064  1.00 20.00           C
HETATM    4  CZ2 SRO A   1      17.817 -10.121  -4.362  1.00 20.00           C
HETATM    5  CE2 SRO A   1      19.043 -10.436  -4.917  1.00 20.00           C
HETATM    6  NE1 SRO A   1      20.077  -9.688  -5.347  1.00 20.00           N
HETATM    7  CD1 SRO A   1      21.037 -10.508  -5.836  1.00 20.00           C
HETATM    8  CG  SRO A   1      20.621 -11.828  -5.725  1.00 20.00           C
HETATM    9  CD2 SRO A   1      19.350 -11.766  -5.156  1.00 20.00           C
HETATM   10  CE3 SRO A   1      18.547 -12.739  -4.865  1.00 20.00           C
HETATM   11  CB  SRO A   1      21.442 -13.029  -6.167  1.00 20.00           C
HETATM   12  CA  SRO A   1      22.937 -12.666  -6.115  1.00 20.00           C
HETATM   13  NZ  SRO A   1      23.769 -13.828  -6.409  1.00 20.00           N
HETATM   14  HOH SRO A   1      16.315 -13.978  -4.805  1.00 20.00           H
HETATM   15  HH2 SRO A   1      16.006 -10.986  -3.623  1.00 20.00           H
HETATM   16  HZ2 SRO A   1      17.531  -9.097  -4.170  1.00 20.00           H
HETATM   17 HNE1 SRO A   1      20.128  -8.690  -5.311  1.00 20.00           H
HETATM   18  HD1 SRO A   1      21.981 -10.185  -6.249  1.00 20.00           H
HETATM   19  HE3 SRO A   1      18.839 -13.761  -5.058  1.00 20.00           H
HETATM   20  HB1 SRO A   1      21.245 -13.877  -5.495  1.00 20.00           H
HETATM   21  HB2 SRO A   1      21.165 -13.308  -7.194  1.00 20.00           H
HETATM   22  HA1 SRO A   1      23.141 -11.883  -6.860  1.00 20.00           H
HETATM   23  HA2 SRO A   1      23.177 -12.310  -5.102  1.00 20.00           H
HETATM   24 HNZ1 SRO A   1      23.959 -13.863  -7.390  1.00 20.00           H
HETATM   25 HNZ2 SRO A   1      24.630 -13.758  -5.905  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