COMPND    HMDB0253092
HETATM    1  C1  UNL     1       1.608   3.295  -0.423  1.00  0.00           C  
HETATM    2  C2  UNL     1       0.497   2.656   0.320  1.00  0.00           C  
HETATM    3  C3  UNL     1       0.015   1.395   0.045  1.00  0.00           C  
HETATM    4  S1  UNL     1       0.730   0.451  -1.258  1.00  0.00           S  
HETATM    5  C4  UNL     1       2.093  -0.555  -0.719  1.00  0.00           C  
HETATM    6  C5  UNL     1       2.539  -0.585   0.593  1.00  0.00           C  
HETATM    7  C6  UNL     1       3.601  -1.398   0.903  1.00  0.00           C  
HETATM    8  C7  UNL     1       4.253  -2.189  -0.020  1.00  0.00           C  
HETATM    9  C8  UNL     1       3.811  -2.160  -1.329  1.00  0.00           C  
HETATM   10  C9  UNL     1       2.731  -1.337  -1.652  1.00  0.00           C  
HETATM   11  N1  UNL     1      -0.998   0.866   0.755  1.00  0.00           N  
HETATM   12  C10 UNL     1      -1.537  -0.458   0.499  1.00  0.00           C  
HETATM   13  O1  UNL     1      -2.585  -0.384  -0.438  1.00  0.00           O  
HETATM   14  C11 UNL     1      -3.043  -1.693  -0.625  1.00  0.00           C  
HETATM   15  C12 UNL     1      -4.179  -1.677  -1.629  1.00  0.00           C  
HETATM   16  O2  UNL     1      -4.608  -2.998  -1.788  1.00  0.00           O  
HETATM   17  C13 UNL     1      -1.572   1.574   1.770  1.00  0.00           C  
HETATM   18  O3  UNL     1      -2.507   1.119   2.446  1.00  0.00           O  
HETATM   19  N2  UNL     1      -1.108   2.806   2.046  1.00  0.00           N  
HETATM   20  C14 UNL     1      -0.087   3.368   1.348  1.00  0.00           C  
HETATM   21  O4  UNL     1       0.333   4.522   1.621  1.00  0.00           O  
HETATM   22  H1  UNL     1       2.259   2.559  -0.932  1.00  0.00           H  
HETATM   23  H2  UNL     1       1.177   3.975  -1.195  1.00  0.00           H  
HETATM   24  H3  UNL     1       2.158   3.941   0.284  1.00  0.00           H  
HETATM   25  H4  UNL     1       2.015   0.040   1.295  1.00  0.00           H  
HETATM   26  H5  UNL     1       3.953  -1.427   1.920  1.00  0.00           H  
HETATM   27  H6  UNL     1       5.086  -2.826   0.223  1.00  0.00           H  
HETATM   28  H7  UNL     1       4.306  -2.773  -2.074  1.00  0.00           H  
HETATM   29  H8  UNL     1       2.396  -1.329  -2.694  1.00  0.00           H  
HETATM   30  H9  UNL     1      -0.766  -1.121   0.026  1.00  0.00           H  
HETATM   31  H10 UNL     1      -1.908  -0.885   1.439  1.00  0.00           H  
HETATM   32  H11 UNL     1      -3.440  -2.023   0.369  1.00  0.00           H  
HETATM   33  H12 UNL     1      -2.253  -2.363  -0.998  1.00  0.00           H  
HETATM   34  H13 UNL     1      -4.978  -1.042  -1.230  1.00  0.00           H  
HETATM   35  H14 UNL     1      -3.790  -1.253  -2.555  1.00  0.00           H  
HETATM   36  H15 UNL     1      -4.676  -3.472  -0.942  1.00  0.00           H  
HETATM   37  H16 UNL     1      -1.529   3.381   2.824  1.00  0.00           H  
CONECT    1    2   22   23   24
CONECT    2    3    3   20
CONECT    3    4   11
CONECT    4    5
CONECT    5    6    6   10
CONECT    6    7   25
CONECT    7    8    8   26
CONECT    8    9   27
CONECT    9   10   10   28
CONECT   10   29
CONECT   11   12   17
CONECT   12   13   30   31
CONECT   13   14
CONECT   14   15   32   33
CONECT   15   16   34   35
CONECT   16   36
CONECT   17   18   18   19
CONECT   19   20   37
CONECT   20   21   21
END