HEADER    Model coordinates
 for PDB-CCD IBP
COMPND    IBP
AUTHOR    pdbccdutils 0.8.6
AUTHOR    RDKit 2023.09.6
HETATM    1  C1  IBP A   1      67.886  20.551 192.867  1.00 20.00           C
HETATM    2  C2  IBP A   1      68.473  23.285 186.859  1.00 20.00           C
HETATM    3  C3  IBP A   1      68.608  24.781 187.174  1.00 20.00           C
HETATM    4  C4  IBP A   1      68.059  25.613 186.018  1.00 20.00           C
HETATM    5  C5  IBP A   1      70.054  25.158 187.423  1.00 20.00           C
HETATM    6  C6  IBP A   1      67.852  19.721 191.594  1.00 20.00           C
HETATM    7  C7  IBP A   1      66.601  18.848 191.541  1.00 20.00           C
HETATM    8  C8  IBP A   1      67.991  20.663 190.375  1.00 20.00           C
HETATM    9  C9  IBP A   1      69.229  20.777 189.706  1.00 20.00           C
HETATM   10  C10 IBP A   1      69.380  21.620 188.580  1.00 20.00           C
HETATM   11  C11 IBP A   1      68.296  22.385 188.074  1.00 20.00           C
HETATM   12  C12 IBP A   1      67.059  22.273 188.742  1.00 20.00           C
HETATM   13  C13 IBP A   1      66.907  21.429 189.870  1.00 20.00           C
HETATM   14  O1  IBP A   1      69.056  20.622 193.431  1.00 20.00           O
HETATM   15  O2  IBP A   1      66.901  21.095 193.346  1.00 20.00           O
HETATM   16  H21 IBP A   1      67.644  23.118 186.132  1.00 20.00           H
HETATM   17  H22 IBP A   1      69.339  22.940 186.247  1.00 20.00           H
HETATM   18  H31 IBP A   1      68.020  24.990 188.098  1.00 20.00           H
HETATM   19  H41 IBP A   1      68.157  26.699 186.246  1.00 20.00           H
HETATM   20  H42 IBP A   1      68.538  25.346 185.047  1.00 20.00           H
HETATM   21  H43 IBP A   1      67.009  25.333 185.764  1.00 20.00           H
HETATM   22  H51 IBP A   1      70.152  26.244 187.651  1.00 20.00           H
HETATM   23  H52 IBP A   1      70.511  24.527 188.221  1.00 20.00           H
HETATM   24  H53 IBP A   1      70.709  24.856 186.572  1.00 20.00           H
HETATM   25  H61 IBP A   1      68.712  19.011 191.576  1.00 20.00           H
HETATM   26  H71 IBP A   1      66.576  18.239 190.607  1.00 20.00           H
HETATM   27  H72 IBP A   1      66.506  18.209 192.450  1.00 20.00           H
HETATM   28  H73 IBP A   1      65.672  19.453 191.661  1.00 20.00           H
HETATM   29  H91 IBP A   1      70.093  20.197 190.069  1.00 20.00           H
HETATM   30 H101 IBP A   1      70.364  21.682 188.085  1.00 20.00           H
HETATM   31 H121 IBP A   1      66.196  22.855 188.376  1.00 20.00           H
HETATM   32 H131 IBP A   1      65.923  21.366 190.365  1.00 20.00           H
HETATM   33  HO1 IBP A   1      69.077  21.140 194.226  1.00 20.00           H
CONECT    1    6   14   15   15
CONECT    2    3   11   16   17
CONECT    3    4    5   18
CONECT    4   19   20   21
CONECT    5   22   23   24
CONECT    6    7    8   25
CONECT    7   26   27   28
CONECT    8    9    9   13
CONECT    9   10   29
CONECT   10   11   11   30
CONECT   11   12
CONECT   12   13   13   31
CONECT   13   32
CONECT   14   33
END