COMPND    HMDB0030790
HETATM    1  C1  UNL     1      -4.973  -0.779   0.902  1.00  0.00           C  
HETATM    2  C2  UNL     1      -4.242   0.258   0.588  1.00  0.00           C  
HETATM    3  C3  UNL     1      -2.873   0.062  -0.037  1.00  0.00           C  
HETATM    4  C4  UNL     1      -2.944  -1.200  -0.830  1.00  0.00           C  
HETATM    5  C5  UNL     1      -2.629   1.286  -0.933  1.00  0.00           C  
HETATM    6  C6  UNL     1      -1.859   0.051   1.045  1.00  0.00           C  
HETATM    7  C7  UNL     1      -0.442  -0.169   0.720  1.00  0.00           C  
HETATM    8  C8  UNL     1       0.259   0.785  -0.173  1.00  0.00           C  
HETATM    9  C9  UNL     1       1.690   0.285  -0.270  1.00  0.00           C  
HETATM   10  C10 UNL     1       2.069  -0.603  -1.241  1.00  0.00           C  
HETATM   11  C11 UNL     1       3.397  -1.042  -1.300  1.00  0.00           C  
HETATM   12  C12 UNL     1       4.320  -0.573  -0.372  1.00  0.00           C  
HETATM   13  C13 UNL     1       3.925   0.321   0.601  1.00  0.00           C  
HETATM   14  C14 UNL     1       2.614   0.734   0.634  1.00  0.00           C  
HETATM   15  O1  UNL     1       5.020   0.646   1.412  1.00  0.00           O  
HETATM   16  C15 UNL     1       6.174   0.253   0.655  1.00  0.00           C  
HETATM   17  O2  UNL     1       5.673  -0.797  -0.153  1.00  0.00           O  
HETATM   18  H1  UNL     1      -4.574  -1.778   0.704  1.00  0.00           H  
HETATM   19  H2  UNL     1      -5.952  -0.632   1.349  1.00  0.00           H  
HETATM   20  H3  UNL     1      -4.586   1.253   0.760  1.00  0.00           H  
HETATM   21  H4  UNL     1      -2.743  -2.057  -0.148  1.00  0.00           H  
HETATM   22  H5  UNL     1      -2.261  -1.212  -1.705  1.00  0.00           H  
HETATM   23  H6  UNL     1      -3.974  -1.323  -1.204  1.00  0.00           H  
HETATM   24  H7  UNL     1      -1.975   2.031  -0.455  1.00  0.00           H  
HETATM   25  H8  UNL     1      -3.621   1.830  -1.024  1.00  0.00           H  
HETATM   26  H9  UNL     1      -2.295   1.008  -1.931  1.00  0.00           H  
HETATM   27  H10 UNL     1      -1.902   1.021   1.647  1.00  0.00           H  
HETATM   28  H11 UNL     1      -2.177  -0.704   1.834  1.00  0.00           H  
HETATM   29  H12 UNL     1      -0.242  -1.209   0.323  1.00  0.00           H  
HETATM   30  H13 UNL     1       0.151  -0.161   1.698  1.00  0.00           H  
HETATM   31  H14 UNL     1       0.272   1.810   0.240  1.00  0.00           H  
HETATM   32  H15 UNL     1      -0.116   0.826  -1.209  1.00  0.00           H  
HETATM   33  H16 UNL     1       1.348  -0.967  -1.963  1.00  0.00           H  
HETATM   34  H17 UNL     1       3.699  -1.731  -2.052  1.00  0.00           H  
HETATM   35  H18 UNL     1       2.328   1.446   1.419  1.00  0.00           H  
HETATM   36  H19 UNL     1       6.443   1.080  -0.050  1.00  0.00           H  
HETATM   37  H20 UNL     1       6.999  -0.050   1.303  1.00  0.00           H  
CONECT    1    2    2   18   19
CONECT    2    3   20
CONECT    3    4    5    6
CONECT    4   21   22   23
CONECT    5   24   25   26
CONECT    6    7   27   28
CONECT    7    8   29   30
CONECT    8    9   31   32
CONECT    9   10   10   14
CONECT   10   11   33
CONECT   11   12   12   34
CONECT   12   13   17
CONECT   13   14   14   15
CONECT   14   35
CONECT   15   16
CONECT   16   17   36   37
END