HEADER    Model coordinates
 for PDB-CCD MSE
COMPND    MSE
AUTHOR    pdbccdutils 0.8.6
AUTHOR    RDKit 2023.09.6
HETATM    1  N   MSE A   1      11.285  -7.474  19.929  1.00 20.00           N
HETATM    2  CA  MSE A   1      10.307  -8.472  19.503  1.00 20.00           C
HETATM    3  C   MSE A   1       8.897  -8.150  19.998  1.00 20.00           C
HETATM    4  O   MSE A   1       8.742  -7.166  20.755  1.00 20.00           O
HETATM    5  OXT MSE A   1       7.964  -8.893  19.623  1.00 20.00           O
HETATM    6  CB  MSE A   1      10.721  -9.857  20.004  1.00 20.00           C
HETATM    7  CG  MSE A   1      12.078 -10.319  19.497  1.00 20.00           C
HETATM    8 SE   MSE A   1      12.537 -11.948  20.120  1.00 20.00          SE
HETATM    9  CE  MSE A   1      13.416 -11.501  21.616  1.00 20.00           C
HETATM   10  H   MSE A   1      12.225  -7.688  19.598  1.00 20.00           H
HETATM   11  H2  MSE A   1      11.269  -7.351  20.941  1.00 20.00           H
HETATM   12  HA  MSE A   1      10.286  -8.458  18.388  1.00 20.00           H
HETATM   13  HXT MSE A   1       7.087  -8.692  19.930  1.00 20.00           H
HETATM   14  HB2 MSE A   1      10.685  -9.896  21.117  1.00 20.00           H
HETATM   15  HB3 MSE A   1       9.935 -10.611  19.762  1.00 20.00           H
HETATM   16  HG2 MSE A   1      12.119 -10.290  18.383  1.00 20.00           H
HETATM   17  HG3 MSE A   1      12.867  -9.566  19.726  1.00 20.00           H
HETATM   18  HE1 MSE A   1      13.699 -12.508  22.001  1.00 20.00           H
HETATM   19  HE2 MSE A   1      14.258 -10.783  21.481  1.00 20.00           H
HETATM   20  HE3 MSE A   1      12.852 -10.855  22.329  1.00 20.00           H
CONECT    1    2   10   11
CONECT    2    3    6   12
CONECT    3    4    4    5
CONECT    5   13
CONECT    6    7   14   15
CONECT    7    8   16   17
CONECT    8    9
CONECT    9   18   19   20
END