COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.578   4.039  -1.711  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.429   4.314  -0.734  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.276   2.792  -0.852  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.914   2.114   0.471  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.095  -1.624   0.807  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.181   0.855  -0.234  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.343   1.835   0.999  1.00  0.00           C  
HETATM    8  C   UNL     1       0.674   1.309  -0.016  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.482   0.112  -0.072  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.923  -1.514   0.006  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.615  -2.731  -0.014  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.951  -2.760   0.244  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.647  -1.577   0.531  1.00  0.00           C  
HETATM   14  C   UNL     1       8.069   0.567   1.285  1.00  0.00           C  
HETATM   15  C   UNL     1       7.470  -0.055   0.201  1.00  0.00           C  
HETATM   16  C   UNL     1       5.968  -0.132   0.116  1.00  0.00           C  
HETATM   17  C   UNL     1       4.265  -0.971  -1.313  1.00  0.00           C  
HETATM   18  C   UNL     1       2.089  -0.637  -0.623  1.00  0.00           C  
HETATM   19  C   UNL     1       1.133  -0.090   0.405  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.973  -0.357   0.556  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.615  -0.323   0.294  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.083  -0.416   1.509  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.088  -1.009   0.509  1.00  0.00           C  
HETATM   24  C   UNL     1       1.595  -1.278  -1.741  1.00  0.00           C  
HETATM   25  C   UNL     1       2.481  -1.780  -2.684  1.00  0.00           C  
HETATM   26  C   UNL     1       3.838  -1.627  -2.461  1.00  0.00           C  
HETATM   27  C   UNL     1       8.246  -0.605  -0.803  1.00  0.00           C  
HETATM   28  C   UNL     1       9.622  -0.539  -0.732  1.00  0.00           C  
HETATM   29  C   UNL     1      10.233   0.087   0.357  1.00  0.00           C  
HETATM   30  C   UNL     1      11.661   0.160   0.436  1.00  0.00           C  
HETATM   31  C   UNL     1       9.446   0.641   1.368  1.00  0.00           C  
HETATM   32  F   UNL     1       7.304   1.108   2.259  1.00  0.00           F  
HETATM   33  N   UNL     1       3.389  -0.502  -0.440  1.00  0.00           N  
HETATM   34  N   UNL     1      -1.491   0.922   1.061  1.00  0.00           N  
HETATM   35  N   UNL     1      -3.627  -1.176  -0.205  1.00  0.00           N  
HETATM   36  N   UNL     1      -4.673   0.687   0.238  1.00  0.00           N  
HETATM   37  N   UNL     1      12.794   0.218   0.498  1.00  0.00           N  
HETATM   38  O   UNL     1       5.593  -0.815  -1.082  1.00  0.00           O  
HETATM   39  O   UNL     1      -9.700  -0.600   1.056  1.00  0.00           O  
HETATM   40  O   UNL     1      -9.748  -2.803   0.784  1.00  0.00           O  
HETATM   41  O   UNL     1      -6.672   2.716  -1.168  1.00  0.00           O  
HETATM   42  H   UNL     1      -7.462   4.648  -1.522  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.271   4.058  -2.757  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.602   4.886  -1.155  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.744   4.662   0.250  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.628   2.485  -1.673  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.014   2.572   0.880  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.736   2.233   1.177  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.552   0.333  -0.955  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.381   1.865  -0.592  1.00  0.00           H  
HETATM   51  H   UNL     1       0.124   1.898   1.982  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.682   2.825   0.694  1.00  0.00           H  
HETATM   53  H   UNL     1       0.212   1.259  -1.002  1.00  0.00           H  
HETATM   54  H   UNL     1       1.534   1.979  -0.051  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.087  -3.648  -0.234  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.480  -3.702   0.227  1.00  0.00           H  
HETATM   57  H   UNL     1       5.582  -0.675   0.979  1.00  0.00           H  
HETATM   58  H   UNL     1       5.552   0.875   0.105  1.00  0.00           H  
HETATM   59  H   UNL     1       1.630  -0.034   1.374  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.508   0.555   0.776  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.959  -1.060   1.575  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.612  -0.342   2.490  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.562  -1.095  -0.468  1.00  0.00           H  
HETATM   64  H   UNL     1       0.227  -1.995   0.850  1.00  0.00           H  
HETATM   65  H   UNL     1       0.529  -1.384  -1.883  1.00  0.00           H  
HETATM   66  H   UNL     1       2.120  -2.285  -3.568  1.00  0.00           H  
HETATM   67  H   UNL     1       4.556  -2.012  -3.170  1.00  0.00           H  
HETATM   68  H   UNL     1       7.774  -1.089  -1.645  1.00  0.00           H  
HETATM   69  H   UNL     1      10.226  -0.969  -1.517  1.00  0.00           H  
HETATM   70  H   UNL     1       9.913   1.126   2.213  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.697  -2.783   0.971  1.00  0.00           H  
CONECT    1   41    2   42   43                                       
CONECT    2    1    3   44   45                                       
CONECT    3   41    4    2   46                                       
CONECT    4   36    3   47   48                                       
CONECT    5   39   39   13   40                                       
CONECT    6    9   34   49   50                                       
CONECT    7   34    8   51   52                                       
CONECT    8    7   19   53   54                                       
CONECT    9   35   35    6   36                                       
CONECT   10   11   35   21   21                                       
CONECT   11   12   12   10   55                                       
CONECT   12   11   11   13   56                                       
CONECT   13   12    5   20   20                                       
CONECT   14   32   15   15   31                                       
CONECT   15   16   14   14   27                                       
CONECT   16   38   15   57   58                                       
CONECT   17   33   33   26   38                                       
CONECT   18   19   24   24   33                                       
CONECT   19    8   23   18   59                                       
CONECT   20   13   13   21   60                                       
CONECT   21   10   10   20   36                                       
CONECT   22   34   23   61   62                                       
CONECT   23   19   22   63   64                                       
CONECT   24   18   18   25   65                                       
CONECT   25   24   26   26   66                                       
CONECT   26   25   25   17   67                                       
CONECT   27   15   28   28   68                                       
CONECT   28   27   27   29   69                                       
CONECT   29   31   31   28   30                                       
CONECT   30   29   37   37   37                                       
CONECT   31   14   29   29   70                                       
CONECT   32   14                                                      
CONECT   33   18   17   17                                            
CONECT   34    6    7   22                                            
CONECT   35   10    9    9                                            
CONECT   36    9   21    4                                            
CONECT   37   30   30   30                                            
CONECT   38   17   16                                                 
CONECT   39    5    5                                                 
CONECT   40    5   71                                                 
CONECT   41    1    3                                                 
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   31                                                      
CONECT   71   40                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
