COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.275   4.287  -0.599  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.668   2.882  -0.219  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.940   1.809  -0.691  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.295   0.513  -0.346  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.379   0.295   0.478  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.114   1.370   0.952  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.758   2.665   0.610  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.478   3.717   1.081  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.794  -1.095   0.888  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.156  -2.126  -0.043  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.713  -1.849  -0.127  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.475  -0.624  -0.897  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.013  -0.265  -0.820  1.00  0.00           C  
HETATM   14  C   UNL     1       0.643   0.193  -1.950  1.00  0.00           C  
HETATM   15  C   UNL     1       1.981   0.523  -1.888  1.00  0.00           C  
HETATM   16  C   UNL     1       2.674   0.394  -0.680  1.00  0.00           C  
HETATM   17  C   UNL     1       2.004  -0.070   0.456  1.00  0.00           C  
HETATM   18  C   UNL     1       0.665  -0.391   0.380  1.00  0.00           C  
HETATM   19  C   UNL     1       4.102   0.743  -0.606  1.00  0.00           C  
HETATM   20  C   UNL     1       4.767   0.617   0.561  1.00  0.00           C  
HETATM   21  C   UNL     1       6.186   0.964   0.634  1.00  0.00           C  
HETATM   22  O   UNL     1       6.766   1.367  -0.356  1.00  0.00           O  
HETATM   23  O   UNL     1       6.852   0.839   1.801  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.992  -2.987  -0.712  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.078  -4.187   0.234  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.435  -5.406  -0.429  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.338  -3.864   1.534  1.00  0.00           C  
HETATM   28  H   UNL     1      -2.792   4.573  -1.515  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.552   4.971   0.204  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.198   4.332  -0.760  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.089   1.979  -1.333  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.749  -0.794  -1.938  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.965   1.198   1.594  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.470  -1.281   1.912  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.879  -1.180   0.832  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.215   3.977   0.511  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.314  -3.128   0.357  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.602  -2.050  -1.034  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.441  -3.248  -1.671  1.00  0.00           H  
HETATM   40  H   UNL     1       0.054  -2.717  -0.862  1.00  0.00           H  
HETATM   41  H   UNL     1       0.106   0.292  -2.881  1.00  0.00           H  
HETATM   42  H   UNL     1       0.145  -0.744   1.258  1.00  0.00           H  
HETATM   43  H   UNL     1       2.491   0.880  -2.770  1.00  0.00           H  
HETATM   44  H   UNL     1       2.533  -0.172   1.392  1.00  0.00           H  
HETATM   45  H   UNL     1       4.617   1.100  -1.486  1.00  0.00           H  
HETATM   46  H   UNL     1       4.252   0.260   1.440  1.00  0.00           H  
HETATM   47  H   UNL     1       7.784   1.092   1.751  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.123  -4.401   0.454  1.00  0.00           H  
HETATM   49  H   UNL     1       0.611  -5.192  -0.649  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.496  -6.261   0.245  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.962  -5.636  -1.355  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.400  -4.719   2.208  1.00  0.00           H  
HETATM   53  H   UNL     1       0.707  -3.649   1.314  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.796  -2.995   2.007  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    1    3    7    7                                       
CONECT    3    2    4    4   31                                       
CONECT    4    3    3    5   12                                       
CONECT    5    4    6    6    9                                       
CONECT    6    5    5    7   33                                       
CONECT    7    2    2    6    8                                       
CONECT    8    7   36                                                 
CONECT    9    5   10   34   35                                       
CONECT   10    9   11   37   38                                       
CONECT   11   10   12   24                                            
CONECT   12    4   11   13   32                                       
CONECT   13   12   14   18   18                                       
CONECT   14   13   15   15   41                                       
CONECT   15   14   14   16   43                                       
CONECT   16   15   17   17   19                                       
CONECT   17   16   16   18   44                                       
CONECT   18   13   13   17   42                                       
CONECT   19   16   20   20   45                                       
CONECT   20   19   19   21   46                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   47                                                 
CONECT   24   11   25   39   40                                       
CONECT   25   24   26   27   48                                       
CONECT   26   25   49   50   51                                       
CONECT   27   25   52   53   54                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32   12                                                      
CONECT   33    6                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   24                                                      
CONECT   40   24                                                      
CONECT   41   14                                                      
CONECT   42   18                                                      
CONECT   43   15                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   23                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
