COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.584   0.468  -0.043  1.00  0.00           C  
HETATM    2  C   UNL     1       4.900   1.069   1.373  1.00  0.00           C  
HETATM    3  C   UNL     1       6.056   0.789   0.632  1.00  0.00           C  
HETATM    4  C   UNL     1       5.993  -0.135  -0.442  1.00  0.00           C  
HETATM    5  C   UNL     1       4.777  -0.756  -0.751  1.00  0.00           C  
HETATM    6  C   UNL     1       3.729   0.450   1.060  1.00  0.00           C  
HETATM    7  C   UNL     1       7.174  -0.395  -1.170  1.00  0.00           C  
HETATM    8  C   UNL     1       8.320   0.247  -0.813  1.00  0.00           C  
HETATM    9  C   UNL     1       7.295   1.401   0.922  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.097  -6.345   0.678  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.807   1.538  -0.315  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.641  -5.028   0.118  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.866  -4.603   0.900  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.587  -3.956   0.234  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.395  -3.303   1.438  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.459  -2.289   1.523  1.00  0.00           C  
HETATM   17  C   UNL     1       0.283  -1.927   0.415  1.00  0.00           C  
HETATM   18  C   UNL     1       0.119  -2.608  -0.778  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.816  -3.622  -0.864  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.995  -4.369  -2.161  1.00  0.00           C  
HETATM   21  C   UNL     1       1.251  -0.775   0.497  1.00  0.00           C  
HETATM   22  N   UNL     1       2.443  -1.077  -0.300  1.00  0.00           N  
HETATM   23  C   UNL     1       3.657  -0.458  -0.002  1.00  0.00           C  
HETATM   24  N   UNL     1       8.357   1.107   0.197  1.00  0.00           N  
HETATM   25  O   UNL     1       1.092   1.111  -0.937  1.00  0.00           O  
HETATM   26  N   UNL     1      -0.612   0.843   0.502  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.349   1.899  -0.218  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.738   2.554  -0.492  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.073   2.251  -0.680  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.486   0.933  -0.674  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.570  -0.083  -0.434  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.232   0.222  -0.253  1.00  0.00           C  
HETATM   33  N   UNL     1      -5.028  -1.419  -0.418  1.00  0.00           N  
HETATM   34  O   UNL     1      -4.632  -3.628   0.152  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.182  -2.356   0.110  1.00  0.00           C  
HETATM   36  O   UNL     1      -3.079  -2.057   0.521  1.00  0.00           O  
HETATM   37  C   UNL     1      -1.132   0.233   1.728  1.00  0.00           C  
HETATM   38  N   UNL     1       7.394   2.309   1.965  1.00  0.00           N  
HETATM   39  C   UNL     1      -3.289   3.992  -0.479  1.00  0.00           C  
HETATM   40  F   UNL     1       7.167  -1.267  -2.202  1.00  0.00           F  
HETATM   41  C   UNL     1      -3.006   4.504   0.910  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.185   4.926  -1.309  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.895   5.624  -1.772  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.170   4.298  -1.488  1.00  0.00           C  
HETATM   45  O   UNL     1      -3.927   4.366   1.877  1.00  0.00           O  
HETATM   46  O   UNL     1      -1.951   5.040   1.153  1.00  0.00           O  
HETATM   47  H   UNL     1       4.939   1.770   2.194  1.00  0.00           H  
HETATM   48  H   UNL     1       4.716  -1.460  -1.567  1.00  0.00           H  
HETATM   49  H   UNL     1       2.841   0.669   1.634  1.00  0.00           H  
HETATM   50  H   UNL     1       9.225   0.050  -1.367  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.830  -6.211   1.726  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.861  -7.118   0.593  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.214  -6.642   0.112  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.915  -5.161  -0.928  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.487  -5.477   1.102  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.555  -4.155   1.844  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.972  -3.584   2.307  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.307  -1.775   2.461  1.00  0.00           H  
HETATM   59  H   UNL     1       0.718  -2.348  -1.638  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.406  -5.286  -2.136  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.048  -4.617  -2.295  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.660  -3.744  -2.989  1.00  0.00           H  
HETATM   63  H   UNL     1       1.538  -0.613   1.537  1.00  0.00           H  
HETATM   64  H   UNL     1       2.387  -1.707  -1.035  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.937   2.007  -1.222  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.245   2.842   0.317  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.792   3.043  -0.831  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.523   0.692  -0.855  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.519  -0.567  -0.064  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.901  -1.661  -0.764  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.300  -0.080   2.359  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.742   0.959   2.265  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.740  -0.635   1.473  1.00  0.00           H  
HETATM   74  H   UNL     1       6.612   2.525   2.497  1.00  0.00           H  
HETATM   75  H   UNL     1       8.246   2.729   2.162  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.719   4.419  -2.112  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.832   5.562  -0.705  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.902   5.901  -2.826  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.582   6.440  -1.121  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.190   4.426  -1.028  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.153   3.618  -2.340  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.700   4.710   2.752  1.00  0.00           H  
CONECT    1   25   25   26   21                                       
CONECT    2    6    3    3   47                                       
CONECT    3    2    2    4    9                                       
CONECT    4    5    5    3    7                                       
CONECT    5   23    4    4   48                                       
CONECT    6   23   23    2   49                                       
CONECT    7    4   40    8    8                                       
CONECT    8    7    7   24   50                                       
CONECT    9    3   38   24   24                                       
CONECT   10   12   51   52   53                                       
CONECT   11   28   28   32   27                                       
CONECT   12   13   14   10   54                                       
CONECT   13   34   12   55   56                                       
CONECT   14   19   12   15   15                                       
CONECT   15   14   14   16   57                                       
CONECT   16   17   17   15   58                                       
CONECT   17   18   21   16   16                                       
CONECT   18   19   19   17   59                                       
CONECT   19   20   18   18   14                                       
CONECT   20   19   60   61   62                                       
CONECT   21    1   22   17   63                                       
CONECT   22   21   23   64                                            
CONECT   23   22    6    6    5                                       
CONECT   24    9    9    8                                            
CONECT   25    1    1                                                 
CONECT   26   27    1   37                                            
CONECT   27   11   26   65   66                                       
CONECT   28   29   39   11   11                                       
CONECT   29   30   30   28   67                                       
CONECT   30   29   29   31   68                                       
CONECT   31   30   33   32   32                                       
CONECT   32   31   31   11   69                                       
CONECT   33   31   35   70                                            
CONECT   34   35   13                                                 
CONECT   35   33   34   36   36                                       
CONECT   36   35   35                                                 
CONECT   37   26   71   72   73                                       
CONECT   38    9   74   75                                            
CONECT   39   42   44   41   28                                       
CONECT   40    7                                                      
CONECT   41   39   45   46   46                                       
CONECT   42   43   39   76   77                                       
CONECT   43   42   44   78   79                                       
CONECT   44   43   39   80   81                                       
CONECT   45   41   82                                                 
CONECT   46   41   41                                                 
CONECT   47    2                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    8                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   18                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   38                                                      
CONECT   76   42                                                      
CONECT   77   42                                                      
CONECT   78   43                                                      
CONECT   79   43                                                      
CONECT   80   44                                                      
CONECT   81   44                                                      
CONECT   82   45                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
