COMPND    HMDB0015606
HETATM    1  C1  UNL     1       0.819   1.816   1.153  1.00  0.00           C  
HETATM    2  C2  UNL     1       0.475   0.569   0.369  1.00  0.00           C  
HETATM    3  O1  UNL     1      -0.471   0.782  -0.623  1.00  0.00           O  
HETATM    4  C3  UNL     1      -1.760   0.330  -0.655  1.00  0.00           C  
HETATM    5  C4  UNL     1      -2.742   1.122  -0.102  1.00  0.00           C  
HETATM    6 CL1  UNL     1      -2.368   2.675   0.630  1.00  0.00          CL  
HETATM    7  C5  UNL     1      -4.078   0.718  -0.102  1.00  0.00           C  
HETATM    8  C6  UNL     1      -4.425  -0.489  -0.663  1.00  0.00           C  
HETATM    9  C7  UNL     1      -3.439  -1.272  -1.212  1.00  0.00           C  
HETATM   10  C8  UNL     1      -2.117  -0.875  -1.212  1.00  0.00           C  
HETATM   11 CL2  UNL     1      -0.885  -1.932  -1.939  1.00  0.00          CL  
HETATM   12  C9  UNL     1       1.695  -0.121  -0.115  1.00  0.00           C  
HETATM   13  N1  UNL     1       2.035  -0.332  -1.358  1.00  0.00           N  
HETATM   14  C10 UNL     1       3.297  -1.039  -1.436  1.00  0.00           C  
HETATM   15  C11 UNL     1       3.885  -0.804  -0.074  1.00  0.00           C  
HETATM   16  N2  UNL     1       2.699  -0.660   0.742  1.00  0.00           N  
HETATM   17  H1  UNL     1       1.909   1.798   1.375  1.00  0.00           H  
HETATM   18  H2  UNL     1       0.198   1.965   2.040  1.00  0.00           H  
HETATM   19  H3  UNL     1       0.666   2.690   0.482  1.00  0.00           H  
HETATM   20  H4  UNL     1       0.006  -0.123   1.129  1.00  0.00           H  
HETATM   21  H5  UNL     1      -4.845   1.348   0.335  1.00  0.00           H  
HETATM   22  H6  UNL     1      -5.465  -0.821  -0.672  1.00  0.00           H  
HETATM   23  H7  UNL     1      -3.662  -2.234  -1.666  1.00  0.00           H  
HETATM   24  H8  UNL     1       3.959  -0.659  -2.231  1.00  0.00           H  
HETATM   25  H9  UNL     1       3.100  -2.129  -1.559  1.00  0.00           H  
HETATM   26  H10 UNL     1       4.551  -1.619   0.262  1.00  0.00           H  
HETATM   27  H11 UNL     1       4.380   0.190  -0.091  1.00  0.00           H  
HETATM   28  H12 UNL     1       2.582  -0.896   1.747  1.00  0.00           H  
CONECT    1    2   17   18   19
CONECT    2    3   12   20
CONECT    3    4
CONECT    4    5    5   10
CONECT    5    6    7
CONECT    7    8    8   21
CONECT    8    9   22
CONECT    9   10   10   23
CONECT   10   11
CONECT   12   13   13   16
CONECT   13   14
CONECT   14   15   24   25
CONECT   15   16   26   27
CONECT   16   28
END