COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.969   0.199  -0.608  1.00  0.00           O  
HETATM    2  C   UNL     1       5.893   1.355  -0.268  1.00  0.00           C  
HETATM    3  O   UNL     1       6.994   2.124  -0.253  1.00  0.00           O  
HETATM    4  C   UNL     1       4.563   1.938   0.135  1.00  0.00           C  
HETATM    5  O   UNL     1       3.552   0.932   0.031  1.00  0.00           O  
HETATM    6  C   UNL     1       2.285   1.295   0.360  1.00  0.00           C  
HETATM    7  C   UNL     1       2.015   2.590   0.768  1.00  0.00           C  
HETATM    8  C   UNL     1       0.722   2.960   1.103  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.310   2.049   1.036  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.061   0.742   0.628  1.00  0.00           C  
HETATM   11  C   UNL     1       1.246   0.367   0.283  1.00  0.00           C  
HETATM   12  C   UNL     1       1.169  -1.055  -0.104  1.00  0.00           C  
HETATM   13  C   UNL     1       2.273  -1.908  -0.541  1.00  0.00           C  
HETATM   14  O   UNL     1       2.500  -2.049  -1.727  1.00  0.00           O  
HETATM   15  C   UNL     1       3.122  -2.604   0.468  1.00  0.00           C  
HETATM   16  O   UNL     1       2.840  -2.540   1.647  1.00  0.00           O  
HETATM   17  N   UNL     1       4.202  -3.306   0.072  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.158  -1.418   0.031  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.717  -2.788  -0.256  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.872  -0.364   0.467  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.314  -0.383   0.721  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.047   0.097  -0.506  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.349   0.356  -1.671  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.020   0.797  -2.795  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.390   0.978  -2.756  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.088   0.718  -1.592  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.417   0.272  -0.468  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.178  -0.012   0.801  1.00  0.00           C  
HETATM   29  F   UNL     1      -4.764   0.875   1.801  1.00  0.00           F  
HETATM   30  F   UNL     1      -6.548   0.153   0.570  1.00  0.00           F  
HETATM   31  F   UNL     1      -4.929  -1.326   1.211  1.00  0.00           F  
HETATM   32  H   UNL     1       7.824   1.707  -0.523  1.00  0.00           H  
HETATM   33  H   UNL     1       4.618   2.293   1.164  1.00  0.00           H  
HETATM   34  H   UNL     1       4.316   2.770  -0.524  1.00  0.00           H  
HETATM   35  H   UNL     1       2.814   3.314   0.826  1.00  0.00           H  
HETATM   36  H   UNL     1       0.522   3.973   1.421  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.313   2.349   1.300  1.00  0.00           H  
HETATM   38  H   UNL     1       4.428  -3.357  -0.871  1.00  0.00           H  
HETATM   39  H   UNL     1       4.754  -3.759   0.728  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.762  -3.363   0.669  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.720  -2.691  -0.672  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.075  -3.301  -0.972  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.628  -1.400   0.957  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.544   0.272   1.561  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.278   0.215  -1.701  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.475   1.000  -3.705  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.914   1.327  -3.633  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.159   0.860  -1.561  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   32                                                 
CONECT    4    2    5   33   34                                       
CONECT    5    4    6                                                 
CONECT    6    7    5   11   11                                       
CONECT    7    8    8    6   35                                       
CONECT    8    7    7    9   36                                       
CONECT    9    8   10   10   37                                       
CONECT   10    9    9   11   20                                       
CONECT   11    6    6   10   12                                       
CONECT   12   11   18   18   13                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   38   39                                            
CONECT   18   20   12   12   19                                       
CONECT   19   18   40   41   42                                       
CONECT   20   10   21   18                                            
CONECT   21   22   20   43   44                                       
CONECT   22   27   27   23   21                                       
CONECT   23   24   24   22   45                                       
CONECT   24   25   23   23   46                                       
CONECT   25   26   26   24   47                                       
CONECT   26   25   25   27   48                                       
CONECT   27   26   28   22   22                                       
CONECT   28   29   27   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
