COMPND    HMDB0242620
HETATM    1  C1  UNL     1      -2.080  -1.294   0.898  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.957  -0.999  -0.568  1.00  0.00           C  
HETATM    3  C3  UNL     1      -3.313  -0.552  -1.143  1.00  0.00           C  
HETATM    4  N1  UNL     1      -0.881  -0.286  -1.053  1.00  0.00           N  
HETATM    5  C4  UNL     1      -0.482   0.984  -0.820  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.366   2.150  -1.108  1.00  0.00           C  
HETATM    7  C6  UNL     1       0.264   1.216   0.453  1.00  0.00           C  
HETATM    8  C7  UNL     1       1.538   0.450   0.567  1.00  0.00           C  
HETATM    9  C8  UNL     1       2.725   0.966   0.039  1.00  0.00           C  
HETATM   10  C9  UNL     1       3.903   0.269   0.155  1.00  0.00           C  
HETATM   11  C10 UNL     1       3.979  -0.952   0.784  1.00  0.00           C  
HETATM   12  I1  UNL     1       5.815  -1.999   0.942  1.00  0.00           I  
HETATM   13  C11 UNL     1       2.815  -1.463   1.304  1.00  0.00           C  
HETATM   14  C12 UNL     1       1.617  -0.765   1.193  1.00  0.00           C  
HETATM   15  H1  UNL     1      -3.101  -1.789   1.056  1.00  0.00           H  
HETATM   16  H2  UNL     1      -1.385  -2.138   1.143  1.00  0.00           H  
HETATM   17  H3  UNL     1      -2.027  -0.466   1.582  1.00  0.00           H  
HETATM   18  H4  UNL     1      -1.864  -2.045  -1.028  1.00  0.00           H  
HETATM   19  H5  UNL     1      -3.851   0.085  -0.411  1.00  0.00           H  
HETATM   20  H6  UNL     1      -3.988  -1.412  -1.336  1.00  0.00           H  
HETATM   21  H7  UNL     1      -3.171  -0.061  -2.127  1.00  0.00           H  
HETATM   22  H8  UNL     1      -0.092  -0.902  -1.382  1.00  0.00           H  
HETATM   23  H9  UNL     1       0.378   1.153  -1.620  1.00  0.00           H  
HETATM   24  H10 UNL     1      -1.291   2.508  -2.155  1.00  0.00           H  
HETATM   25  H11 UNL     1      -1.112   3.036  -0.475  1.00  0.00           H  
HETATM   26  H12 UNL     1      -2.441   1.959  -0.935  1.00  0.00           H  
HETATM   27  H13 UNL     1       0.604   2.307   0.516  1.00  0.00           H  
HETATM   28  H14 UNL     1      -0.288   1.061   1.379  1.00  0.00           H  
HETATM   29  H15 UNL     1       2.687   1.929  -0.462  1.00  0.00           H  
HETATM   30  H16 UNL     1       4.839   0.676  -0.262  1.00  0.00           H  
HETATM   31  H17 UNL     1       2.823  -2.435   1.817  1.00  0.00           H  
HETATM   32  H18 UNL     1       0.704  -1.192   1.626  1.00  0.00           H  
CONECT    1    2   15   16   17
CONECT    2    3    4   18
CONECT    3   19   20   21
CONECT    4    5   22
CONECT    5    6    7   23
CONECT    6   24   25   26
CONECT    7    8   27   28
CONECT    8    9    9   14
CONECT    9   10   29
CONECT   10   11   11   30
CONECT   11   12   13
CONECT   13   14   14   31
CONECT   14   32
END