HEADER    Ideal coordinates
 for PDB-CCD PYV
COMPND    PYV
AUTHOR    pdbccdutils 0.8.6
AUTHOR    RDKit 2023.09.6
HETATM    1  S   PYV A   1      -1.189  -1.987   0.450  1.00 20.00           S
HETATM    2 BR   PYV A   1       4.495   0.699  -0.984  1.00 20.00          BR
HETATM    3  C1  PYV A   1       2.826  -0.074  -0.541  1.00 20.00           C
HETATM    4  N1  PYV A   1      -2.333  -0.790   0.408  1.00 20.00           N
HETATM    5  O1  PYV A   1      -1.113  -2.421   1.801  1.00 20.00           O
HETATM    6  C2  PYV A   1       2.155   0.317   0.630  1.00 20.00           C
HETATM    7  N2  PYV A   1      -5.045  -0.010  -1.002  1.00 20.00           N
HETATM    8  O2  PYV A   1      -1.482  -2.860  -0.632  1.00 20.00           O
HETATM    9  C3  PYV A   1       0.905  -0.274   0.945  1.00 20.00           C
HETATM   10  C4  PYV A   1       0.362  -1.239   0.080  1.00 20.00           C
HETATM   11  C5  PYV A   1       1.041  -1.593  -1.046  1.00 20.00           C
HETATM   12  C6  PYV A   1       2.266  -1.009  -1.359  1.00 20.00           C
HETATM   13  C7  PYV A   1       0.234   0.117   2.116  1.00 20.00           C
HETATM   14  C8  PYV A   1       0.791   1.054   2.930  1.00 20.00           C
HETATM   15  C9  PYV A   1       2.020   1.635   2.621  1.00 20.00           C
HETATM   16  C10 PYV A   1       2.698   1.281   1.496  1.00 20.00           C
HETATM   17  C11 PYV A   1      -2.607  -0.082  -0.845  1.00 20.00           C
HETATM   18  C12 PYV A   1      -3.927   0.637  -0.737  1.00 20.00           C
HETATM   19  C13 PYV A   1      -6.223   0.578  -0.922  1.00 20.00           C
HETATM   20  C14 PYV A   1      -6.326   1.906  -0.554  1.00 20.00           C
HETATM   21  C15 PYV A   1      -5.172   2.619  -0.268  1.00 20.00           C
HETATM   22  C16 PYV A   1      -3.952   1.967  -0.363  1.00 20.00           C
HETATM   23  HN1 PYV A   1      -2.822  -0.557   1.213  1.00 20.00           H
HETATM   24  H5  PYV A   1       0.621  -2.335  -1.709  1.00 20.00           H
HETATM   25  H6  PYV A   1       2.782  -1.304  -2.261  1.00 20.00           H
HETATM   26  H7  PYV A   1      -0.719  -0.324   2.368  1.00 20.00           H
HETATM   27  H8  PYV A   1       0.273   1.353   3.830  1.00 20.00           H
HETATM   28  H9  PYV A   1       2.439   2.377   3.284  1.00 20.00           H
HETATM   29  H10 PYV A   1       3.650   1.740   1.269  1.00 20.00           H
HETATM   30  H11 PYV A   1      -1.814   0.641  -1.035  1.00 20.00           H
HETATM   31 H11A PYV A   1      -2.649  -0.799  -1.665  1.00 20.00           H
HETATM   32  H13 PYV A   1      -7.117   0.015  -1.147  1.00 20.00           H
HETATM   33  H14 PYV A   1      -7.293   2.382  -0.490  1.00 20.00           H
HETATM   34  H15 PYV A   1      -5.222   3.658   0.023  1.00 20.00           H
HETATM   35  H16 PYV A   1      -3.033   2.492  -0.147  1.00 20.00           H
CONECT    1    4    5    5    8    8   10
CONECT    2    3
CONECT    3    6    6   12
CONECT    4   17   23
CONECT    6    9   16
CONECT    7   18   18   19
CONECT    9   10   10   13
CONECT   10   11
CONECT   11   12   12   24
CONECT   12   25
CONECT   13   14   14   26
CONECT   14   15   27
CONECT   15   16   16   28
CONECT   16   29
CONECT   17   18   30   31
CONECT   18   22
CONECT   19   20   20   32
CONECT   20   21   33
CONECT   21   22   22   34
CONECT   22   35
END