COMPND    HMDB0037985
HETATM    1  O1  UNL     1       0.712  -1.826   1.832  1.00  0.00           O  
HETATM    2  C1  UNL     1       0.941  -0.940   0.978  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.197  -0.354   0.243  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.532  -0.924   0.662  1.00  0.00           C  
HETATM    5  O2  UNL     1      -1.496  -2.299   0.417  1.00  0.00           O  
HETATM    6  C4  UNL     1      -1.903  -0.645   2.044  1.00  0.00           C  
HETATM    7  O3  UNL     1      -1.385  -0.967   3.145  1.00  0.00           O  
HETATM    8  N1  UNL     1      -3.082   0.145   1.999  1.00  0.00           N  
HETATM    9  C5  UNL     1      -3.458   0.365   0.659  1.00  0.00           C  
HETATM   10  C6  UNL     1      -4.541   1.078   0.119  1.00  0.00           C  
HETATM   11 CL1  UNL     1      -5.689   1.873   1.184  1.00  0.00          CL  
HETATM   12  C7  UNL     1      -4.668   1.131  -1.244  1.00  0.00           C  
HETATM   13  C8  UNL     1      -3.792   0.523  -2.107  1.00  0.00           C  
HETATM   14 CL2  UNL     1      -4.010   0.627  -3.853  1.00  0.00          CL  
HETATM   15  C9  UNL     1      -2.742  -0.167  -1.550  1.00  0.00           C  
HETATM   16  C10 UNL     1      -2.557  -0.258  -0.162  1.00  0.00           C  
HETATM   17  C11 UNL     1       2.318  -0.544   0.763  1.00  0.00           C  
HETATM   18  C12 UNL     1       3.329  -1.133   1.483  1.00  0.00           C  
HETATM   19  C13 UNL     1       4.664  -0.787   1.312  1.00  0.00           C  
HETATM   20  C14 UNL     1       4.986   0.179   0.390  1.00  0.00           C  
HETATM   21  C15 UNL     1       4.009   0.787  -0.345  1.00  0.00           C  
HETATM   22  N2  UNL     1       4.357   1.785  -1.296  1.00  0.00           N1+
HETATM   23  O4  UNL     1       5.531   2.109  -1.467  1.00  0.00           O  
HETATM   24  O5  UNL     1       3.380   2.402  -2.037  1.00  0.00           O1-
HETATM   25  C16 UNL     1       2.685   0.427  -0.159  1.00  0.00           C  
HETATM   26  H1  UNL     1      -0.179   0.749   0.345  1.00  0.00           H  
HETATM   27  H2  UNL     1      -0.069  -0.587  -0.833  1.00  0.00           H  
HETATM   28  H3  UNL     1      -1.007  -2.492  -0.435  1.00  0.00           H  
HETATM   29  H4  UNL     1      -3.628   0.530   2.826  1.00  0.00           H  
HETATM   30  H5  UNL     1      -5.519   1.692  -1.639  1.00  0.00           H  
HETATM   31  H6  UNL     1      -2.012  -0.671  -2.168  1.00  0.00           H  
HETATM   32  H7  UNL     1       3.141  -1.900   2.224  1.00  0.00           H  
HETATM   33  H8  UNL     1       5.469  -1.243   1.872  1.00  0.00           H  
HETATM   34  H9  UNL     1       6.043   0.448   0.259  1.00  0.00           H  
HETATM   35  H10 UNL     1       1.905   0.887  -0.720  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   17
CONECT    3    4   26   27
CONECT    4    5    6   16
CONECT    5   28
CONECT    6    7    7    8
CONECT    8    9   29
CONECT    9   10   10   16
CONECT   10   11   12
CONECT   12   13   13   30
CONECT   13   14   15
CONECT   15   16   16   31
CONECT   17   18   18   25
CONECT   18   19   32
CONECT   19   20   20   33
CONECT   20   21   34
CONECT   21   22   25   25
CONECT   22   23   23   24
CONECT   25   35
END