COMPND    HMDB0245975
HETATM    1  C1  UNL     1      -4.653   1.705   0.827  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.666   1.108  -0.158  1.00  0.00           C  
HETATM    3  C3  UNL     1      -2.474   0.608   0.621  1.00  0.00           C  
HETATM    4  N1  UNL     1      -1.486   0.044  -0.249  1.00  0.00           N  
HETATM    5  C4  UNL     1      -1.815  -1.174  -0.894  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.924  -2.336  -0.525  1.00  0.00           C  
HETATM    7  C6  UNL     1       0.532  -2.024  -0.479  1.00  0.00           C  
HETATM    8  C7  UNL     1       0.776  -0.551  -0.616  1.00  0.00           C  
HETATM    9  C8  UNL     1       2.128  -0.120  -0.193  1.00  0.00           C  
HETATM   10  C9  UNL     1       2.603  -0.313   1.097  1.00  0.00           C  
HETATM   11  C10 UNL     1       3.859   0.083   1.482  1.00  0.00           C  
HETATM   12  C11 UNL     1       4.698   0.690   0.594  1.00  0.00           C  
HETATM   13  C12 UNL     1       4.260   0.896  -0.695  1.00  0.00           C  
HETATM   14  O1  UNL     1       5.110   1.511  -1.602  1.00  0.00           O  
HETATM   15  C13 UNL     1       2.987   0.493  -1.081  1.00  0.00           C  
HETATM   16  C14 UNL     1      -0.205   0.116   0.363  1.00  0.00           C  
HETATM   17  H1  UNL     1      -4.811   0.984   1.630  1.00  0.00           H  
HETATM   18  H2  UNL     1      -5.608   1.977   0.376  1.00  0.00           H  
HETATM   19  H3  UNL     1      -4.191   2.610   1.273  1.00  0.00           H  
HETATM   20  H4  UNL     1      -4.140   0.288  -0.698  1.00  0.00           H  
HETATM   21  H5  UNL     1      -3.306   1.909  -0.847  1.00  0.00           H  
HETATM   22  H6  UNL     1      -1.990   1.489   1.124  1.00  0.00           H  
HETATM   23  H7  UNL     1      -2.764  -0.171   1.360  1.00  0.00           H  
HETATM   24  H8  UNL     1      -2.847  -1.471  -0.587  1.00  0.00           H  
HETATM   25  H9  UNL     1      -1.825  -1.078  -2.007  1.00  0.00           H  
HETATM   26  H10 UNL     1      -1.309  -2.831   0.390  1.00  0.00           H  
HETATM   27  H11 UNL     1      -1.080  -3.109  -1.336  1.00  0.00           H  
HETATM   28  H12 UNL     1       0.887  -2.300   0.558  1.00  0.00           H  
HETATM   29  H13 UNL     1       1.147  -2.638  -1.171  1.00  0.00           H  
HETATM   30  H14 UNL     1       0.577  -0.245  -1.659  1.00  0.00           H  
HETATM   31  H15 UNL     1       1.905  -0.800   1.774  1.00  0.00           H  
HETATM   32  H16 UNL     1       4.163  -0.097   2.496  1.00  0.00           H  
HETATM   33  H17 UNL     1       5.713   1.018   0.874  1.00  0.00           H  
HETATM   34  H18 UNL     1       5.164   2.488  -1.758  1.00  0.00           H  
HETATM   35  H19 UNL     1       2.635   0.647  -2.080  1.00  0.00           H  
HETATM   36  H20 UNL     1       0.167   1.125   0.526  1.00  0.00           H  
HETATM   37  H21 UNL     1      -0.218  -0.530   1.270  1.00  0.00           H  
CONECT    1    2   17   18   19
CONECT    2    3   20   21
CONECT    3    4   22   23
CONECT    4    5   16
CONECT    5    6   24   25
CONECT    6    7   26   27
CONECT    7    8   28   29
CONECT    8    9   16   30
CONECT    9   10   10   15
CONECT   10   11   31
CONECT   11   12   12   32
CONECT   12   13   33
CONECT   13   14   15   15
CONECT   14   34
CONECT   15   35
CONECT   16   36   37
END