COMPND    HMDB0250946
HETATM    1  C1  UNL     1       3.990  -0.268  -0.805  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.789  -0.746  -0.560  1.00  0.00           C  
HETATM    3  C3  UNL     1       2.499  -1.948   0.216  1.00  0.00           C  
HETATM    4  O1  UNL     1       3.372  -2.730   0.705  1.00  0.00           O  
HETATM    5  O2  UNL     1       1.093  -2.072   0.317  1.00  0.00           O  
HETATM    6  C4  UNL     1       0.615  -0.769   0.201  1.00  0.00           C  
HETATM    7  C5  UNL     1       1.458  -0.247  -0.968  1.00  0.00           C  
HETATM    8  C6  UNL     1       1.356   1.205  -1.176  1.00  0.00           C  
HETATM    9  C7  UNL     1       0.813   2.005  -0.042  1.00  0.00           C  
HETATM   10  C8  UNL     1      -0.642   1.813   0.195  1.00  0.00           C  
HETATM   11  C9  UNL     1      -1.452   2.775  -0.203  1.00  0.00           C  
HETATM   12  C10 UNL     1      -1.239   0.621   0.846  1.00  0.00           C  
HETATM   13  C11 UNL     1      -2.723   0.534   0.753  1.00  0.00           C  
HETATM   14  C12 UNL     1      -2.910  -0.968   1.053  1.00  0.00           C  
HETATM   15  C13 UNL     1      -1.742  -1.620   0.401  1.00  0.00           C  
HETATM   16  C14 UNL     1      -1.591  -2.919   0.248  1.00  0.00           C  
HETATM   17  C15 UNL     1      -0.825  -0.577  -0.027  1.00  0.00           C  
HETATM   18  H1  UNL     1       4.873  -0.731  -0.447  1.00  0.00           H  
HETATM   19  H2  UNL     1       4.096   0.633  -1.393  1.00  0.00           H  
HETATM   20  H3  UNL     1       1.010  -0.214   1.099  1.00  0.00           H  
HETATM   21  H4  UNL     1       1.189  -0.812  -1.905  1.00  0.00           H  
HETATM   22  H5  UNL     1       0.666   1.382  -2.056  1.00  0.00           H  
HETATM   23  H6  UNL     1       2.315   1.695  -1.494  1.00  0.00           H  
HETATM   24  H7  UNL     1       1.022   3.089  -0.274  1.00  0.00           H  
HETATM   25  H8  UNL     1       1.415   1.783   0.861  1.00  0.00           H  
HETATM   26  H9  UNL     1      -2.521   2.715  -0.069  1.00  0.00           H  
HETATM   27  H10 UNL     1      -1.023   3.645  -0.677  1.00  0.00           H  
HETATM   28  H11 UNL     1      -0.840   0.531   1.864  1.00  0.00           H  
HETATM   29  H12 UNL     1      -3.020   0.751  -0.294  1.00  0.00           H  
HETATM   30  H13 UNL     1      -3.254   1.132   1.503  1.00  0.00           H  
HETATM   31  H14 UNL     1      -3.870  -1.326   0.674  1.00  0.00           H  
HETATM   32  H15 UNL     1      -2.810  -1.040   2.163  1.00  0.00           H  
HETATM   33  H16 UNL     1      -2.346  -3.644   0.605  1.00  0.00           H  
HETATM   34  H17 UNL     1      -0.738  -3.387  -0.230  1.00  0.00           H  
HETATM   35  H18 UNL     1      -1.028  -0.289  -1.082  1.00  0.00           H  
CONECT    1    2    2   18   19
CONECT    2    3    7
CONECT    3    4    4    5
CONECT    5    6
CONECT    6    7   17   20
CONECT    7    8   21
CONECT    8    9   22   23
CONECT    9   10   24   25
CONECT   10   11   11   12
CONECT   11   26   27
CONECT   12   13   17   28
CONECT   13   14   29   30
CONECT   14   15   31   32
CONECT   15   16   16   17
CONECT   16   33   34
CONECT   17   35
END