HEADER    Ideal coordinates
 for PDB-CCD MSE
COMPND    MSE
AUTHOR    pdbccdutils 0.8.6
AUTHOR    RDKit 2023.09.6
HETATM    1  N   MSE A   1       1.869   0.121  -1.981  1.00 20.00           N
HETATM    2  CA  MSE A   1       0.520  -0.459  -1.960  1.00 20.00           C
HETATM    3  C   MSE A   1      -0.232  -0.028  -3.192  1.00 20.00           C
HETATM    4  O   MSE A   1       0.011   1.037  -3.706  1.00 20.00           O
HETATM    5  OXT MSE A   1      -1.173  -0.828  -3.717  1.00 20.00           O
HETATM    6  CB  MSE A   1      -0.222   0.023  -0.713  1.00 20.00           C
HETATM    7  CG  MSE A   1       0.541  -0.414   0.538  1.00 20.00           C
HETATM    8 SE   MSE A   1      -0.410   0.204   2.135  1.00 20.00          SE
HETATM    9  CE  MSE A   1       0.876  -0.552   3.405  1.00 20.00           C
HETATM   10  H   MSE A   1       1.753   1.123  -1.999  1.00 20.00           H
HETATM   11  H2  MSE A   1       2.297  -0.105  -1.096  1.00 20.00           H
HETATM   12  HA  MSE A   1       0.593  -1.547  -1.940  1.00 20.00           H
HETATM   13  HXT MSE A   1      -1.656  -0.551  -4.508  1.00 20.00           H
HETATM   14  HB2 MSE A   1      -1.223  -0.408  -0.696  1.00 20.00           H
HETATM   15  HB3 MSE A   1      -0.296   1.110  -0.732  1.00 20.00           H
HETATM   16  HG2 MSE A   1       1.542   0.016   0.521  1.00 20.00           H
HETATM   17  HG3 MSE A   1       0.614  -1.501   0.557  1.00 20.00           H
HETATM   18  HE1 MSE A   1       0.554  -0.332   4.423  1.00 20.00           H
HETATM   19  HE2 MSE A   1       0.931  -1.632   3.267  1.00 20.00           H
HETATM   20  HE3 MSE A   1       1.858  -0.113   3.231  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