COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.541   1.145   0.362  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.294   0.421  -0.965  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.632  -0.048  -1.209  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.337   1.430  -2.114  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.919  -0.248  -0.922  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.549  -0.945   1.379  1.00  0.00           C  
HETATM    7  C   UNL     1       1.354   0.484  -0.487  1.00  0.00           C  
HETATM    8  C   UNL     1       2.132   1.578  -0.119  1.00  0.00           C  
HETATM    9  C   UNL     1       1.543   2.965  -0.160  1.00  0.00           C  
HETATM   10  C   UNL     1       3.238  -0.963  -0.011  1.00  0.00           C  
HETATM   11  C   UNL     1       3.843  -2.342   0.028  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.575   2.186   0.525  1.00  0.00           O  
HETATM   13  O   UNL     1      -3.303  -0.572  -1.162  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.828  -1.160   0.266  1.00  0.00           C  
HETATM   15  O   UNL     1       0.021  -2.221   0.209  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.427  -1.908   2.532  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.413   0.157   1.493  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.061   0.314   2.508  1.00  0.00           O  
HETATM   19  O   UNL     1       0.108   0.718  -0.940  1.00  0.00           O  
HETATM   20  C   UNL     1       3.444   1.398   0.285  1.00  0.00           C  
HETATM   21  O   UNL     1       4.194   2.470   0.646  1.00  0.00           O  
HETATM   22  C   UNL     1       3.997   0.121   0.320  1.00  0.00           C  
HETATM   23  C   UNL     1       1.896  -0.799  -0.387  1.00  0.00           C  
HETATM   24  C   UNL     1       1.082  -2.005  -0.610  1.00  0.00           C  
HETATM   25  O   UNL     1       1.352  -2.784  -1.502  1.00  0.00           O  
HETATM   26  H   UNL     1      -3.543   1.574   0.364  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.714   0.662  -2.032  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.339  -0.863  -1.362  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.857   0.457  -0.270  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.565   2.184  -1.964  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.161   0.913  -3.058  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.315   1.910  -2.140  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.812  -0.854  -1.821  1.00  0.00           H  
HETATM   34  H   UNL     1       1.087   3.195   0.804  1.00  0.00           H  
HETATM   35  H   UNL     1       2.331   3.688  -0.371  1.00  0.00           H  
HETATM   36  H   UNL     1       0.785   3.015  -0.941  1.00  0.00           H  
HETATM   37  H   UNL     1       4.277  -2.576  -0.945  1.00  0.00           H  
HETATM   38  H   UNL     1       4.622  -2.376   0.790  1.00  0.00           H  
HETATM   39  H   UNL     1       3.070  -3.072   0.266  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.668   2.683   1.349  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.076  -1.584   3.345  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.724  -2.904   2.205  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.394  -1.931   2.878  1.00  0.00           H  
HETATM   44  H   UNL     1       4.141   2.687   1.587  1.00  0.00           H  
HETATM   45  H   UNL     1       5.029  -0.012   0.611  1.00  0.00           H  
CONECT    1    2   17   12   26                                       
CONECT    2    5   13    1    4                                       
CONECT    3   13   27   28   29                                       
CONECT    4    2   30   31   32                                       
CONECT    5   19   14    2   33                                       
CONECT    6   14   14   17   16                                       
CONECT    7    8   23   23   19                                       
CONECT    8   20   20    9    7                                       
CONECT    9    8   34   35   36                                       
CONECT   10   22   22   11   23                                       
CONECT   11   10   37   38   39                                       
CONECT   12    1   40                                                 
CONECT   13    3    2                                                 
CONECT   14    5   15    6    6                                       
CONECT   15   24   14                                                 
CONECT   16    6   41   42   43                                       
CONECT   17    6    1   18   18                                       
CONECT   18   17   17                                                 
CONECT   19    7    5                                                 
CONECT   20   21   22    8    8                                       
CONECT   21   20   44                                                 
CONECT   22   20   10   10   45                                       
CONECT   23   10    7    7   24                                       
CONECT   24   23   25   25   15                                       
CONECT   25   24   24                                                 
CONECT   26    1                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
