COMPND    HMDB0030176
HETATM    1  C1  UNL     1       4.044  -1.474   0.621  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.668  -1.680   0.563  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.816  -0.659   0.225  1.00  0.00           C  
HETATM    4  C4  UNL     1       2.395   0.590  -0.055  1.00  0.00           C  
HETATM    5  C5  UNL     1       1.529   1.608  -0.393  1.00  0.00           C  
HETATM    6  N1  UNL     1       0.200   1.422  -0.453  1.00  0.00           N  
HETATM    7  C6  UNL     1      -0.377   0.236  -0.189  1.00  0.00           C  
HETATM    8  C7  UNL     1      -1.749   0.058  -0.254  1.00  0.00           C  
HETATM    9  C8  UNL     1      -2.565   1.095  -0.593  1.00  0.00           C  
HETATM   10  C9  UNL     1      -3.950   0.925  -0.661  1.00  0.00           C  
HETATM   11  C10 UNL     1      -4.502  -0.293  -0.387  1.00  0.00           C  
HETATM   12  C11 UNL     1      -3.693  -1.348  -0.044  1.00  0.00           C  
HETATM   13  C12 UNL     1      -2.305  -1.173   0.024  1.00  0.00           C  
HETATM   14  C13 UNL     1      -1.501  -2.226   0.366  1.00  0.00           C  
HETATM   15  C14 UNL     1      -0.123  -2.043   0.430  1.00  0.00           C  
HETATM   16  C15 UNL     1       0.460  -0.833   0.160  1.00  0.00           C  
HETATM   17  O1  UNL     1      -5.897  -0.176  -0.531  1.00  0.00           O  
HETATM   18  C16 UNL     1      -6.174   1.188  -0.591  1.00  0.00           C  
HETATM   19  O2  UNL     1      -4.965   1.807  -0.976  1.00  0.00           O  
HETATM   20  C17 UNL     1       3.756   0.806  -0.001  1.00  0.00           C  
HETATM   21  C18 UNL     1       4.578  -0.243   0.342  1.00  0.00           C  
HETATM   22  O3  UNL     1       5.876   0.270   0.313  1.00  0.00           O  
HETATM   23  C19 UNL     1       5.777   1.683   0.381  1.00  0.00           C  
HETATM   24  O4  UNL     1       4.521   1.944  -0.237  1.00  0.00           O  
HETATM   25  H1  UNL     1       4.716  -2.273   0.886  1.00  0.00           H  
HETATM   26  H2  UNL     1       2.295  -2.637   0.784  1.00  0.00           H  
HETATM   27  H3  UNL     1       1.996   2.573  -0.608  1.00  0.00           H  
HETATM   28  H4  UNL     1      -2.143   2.061  -0.812  1.00  0.00           H  
HETATM   29  H5  UNL     1      -4.136  -2.320   0.175  1.00  0.00           H  
HETATM   30  H6  UNL     1      -1.950  -3.182   0.580  1.00  0.00           H  
HETATM   31  H7  UNL     1       0.438  -2.884   0.697  1.00  0.00           H  
HETATM   32  H8  UNL     1      -6.932   1.459  -1.352  1.00  0.00           H  
HETATM   33  H9  UNL     1      -6.520   1.629   0.364  1.00  0.00           H  
HETATM   34  H10 UNL     1       6.622   2.095  -0.207  1.00  0.00           H  
HETATM   35  H11 UNL     1       5.796   1.997   1.432  1.00  0.00           H  
CONECT    1    2    2   21   25
CONECT    2    3   26
CONECT    3    4    4   16
CONECT    4    5   20
CONECT    5    6    6   27
CONECT    6    7
CONECT    7    8    8   16
CONECT    8    9   13
CONECT    9   10   10   28
CONECT   10   11   19
CONECT   11   12   12   17
CONECT   12   13   29
CONECT   13   14   14
CONECT   14   15   30
CONECT   15   16   16   31
CONECT   17   18
CONECT   18   19   32   33
CONECT   20   21   21   24
CONECT   21   22
CONECT   22   23
CONECT   23   24   34   35
END