COMPND    HMDB0060692
HETATM    1  O1  UNL     1       4.675   0.574   1.100  1.00  0.00           O  
HETATM    2  C1  UNL     1       4.311  -0.137   0.117  1.00  0.00           C  
HETATM    3  O2  UNL     1       4.948  -0.080  -1.096  1.00  0.00           O  
HETATM    4  C2  UNL     1       3.159  -1.050   0.381  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.900  -0.182   0.451  1.00  0.00           C  
HETATM    6  O3  UNL     1       0.816  -0.987   0.623  1.00  0.00           O  
HETATM    7  P1  UNL     1      -0.544  -0.041   0.692  1.00  0.00           P  
HETATM    8  O4  UNL     1      -0.927   0.013   2.230  1.00  0.00           O  
HETATM    9  N1  UNL     1      -0.334   1.595   0.210  1.00  0.00           N  
HETATM   10  C4  UNL     1      -1.646   2.109  -0.180  1.00  0.00           C  
HETATM   11  C5  UNL     1      -1.625   3.585  -0.485  1.00  0.00           C  
HETATM   12 CL1  UNL     1      -3.282   4.014  -0.977  1.00  0.00          CL  
HETATM   13  N2  UNL     1      -1.819  -0.815  -0.122  1.00  0.00           N  
HETATM   14  C6  UNL     1      -1.480  -2.117  -0.587  1.00  0.00           C  
HETATM   15  C7  UNL     1      -2.548  -3.119  -0.127  1.00  0.00           C  
HETATM   16 CL2  UNL     1      -4.131  -2.690  -0.695  1.00  0.00          CL  
HETATM   17  H1  UNL     1       4.615   0.382  -1.924  1.00  0.00           H  
HETATM   18  H2  UNL     1       3.307  -1.484   1.421  1.00  0.00           H  
HETATM   19  H3  UNL     1       3.068  -1.870  -0.362  1.00  0.00           H  
HETATM   20  H4  UNL     1       1.793   0.432  -0.492  1.00  0.00           H  
HETATM   21  H5  UNL     1       1.904   0.540   1.285  1.00  0.00           H  
HETATM   22  H6  UNL     1       0.001   2.175   1.053  1.00  0.00           H  
HETATM   23  H7  UNL     1      -2.420   1.869   0.556  1.00  0.00           H  
HETATM   24  H8  UNL     1      -1.874   1.596  -1.153  1.00  0.00           H  
HETATM   25  H9  UNL     1      -0.908   3.838  -1.269  1.00  0.00           H  
HETATM   26  H10 UNL     1      -1.429   4.208   0.431  1.00  0.00           H  
HETATM   27  H11 UNL     1      -2.748  -0.472  -0.124  1.00  0.00           H  
HETATM   28  H12 UNL     1      -1.568  -2.177  -1.722  1.00  0.00           H  
HETATM   29  H13 UNL     1      -0.510  -2.446  -0.316  1.00  0.00           H  
HETATM   30  H14 UNL     1      -2.471  -3.152   1.017  1.00  0.00           H  
HETATM   31  H15 UNL     1      -2.232  -4.109  -0.463  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   17
CONECT    4    5   18   19
CONECT    5    6   20   21
CONECT    6    7
CONECT    7    8    8    9   13
CONECT    9   10   22
CONECT   10   11   23   24
CONECT   11   12   25   26
CONECT   13   14   27
CONECT   14   15   28   29
CONECT   15   16   30   31
END