COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.238   1.224   0.193  1.00  0.00           C  
HETATM    2  C   UNL     1       0.867   0.204  -0.088  1.00  0.00           C  
HETATM    3  C   UNL     1       3.291   0.323  -0.300  1.00  0.00           C  
HETATM    4  C   UNL     1       5.655   0.314  -0.627  1.00  0.00           C  
HETATM    5  C   UNL     1       6.032   1.190  -1.842  1.00  0.00           C  
HETATM    6  C   UNL     1       7.847   1.380  -0.433  1.00  0.00           C  
HETATM    7  C   UNL     1       7.839   1.938   1.853  1.00  0.00           C  
HETATM    8  C   UNL     1       0.611  -1.063   0.730  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.201  -0.848   0.173  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.081  -1.432   0.733  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.978  -0.658   1.042  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.996   0.701   0.791  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.116   1.286   0.231  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.218   0.512  -0.079  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.782   2.740  -1.172  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.576   0.680  -0.312  1.00  0.00           C  
HETATM   17  C   UNL     1       6.889   0.396   0.293  1.00  0.00           C  
HETATM   18  C   UNL     1       6.514   1.187   1.572  1.00  0.00           C  
HETATM   19  C   UNL     1       1.628  -2.113   0.361  1.00  0.00           C  
HETATM   20  C   UNL     1       1.367  -2.996  -0.669  1.00  0.00           C  
HETATM   21  C   UNL     1       2.300  -3.961  -1.008  1.00  0.00           C  
HETATM   22  C   UNL     1       3.496  -4.040  -0.316  1.00  0.00           C  
HETATM   23  C   UNL     1       3.757  -3.154   0.716  1.00  0.00           C  
HETATM   24  C   UNL     1       2.824  -2.187   1.050  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.720   2.228  -2.267  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.017   3.360  -3.253  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.053   1.068  -3.008  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.400  -1.693  -0.170  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.287  -1.846   1.067  1.00  0.00           C  
HETATM   30  F   UNL     1       2.044  -4.825  -2.015  1.00  0.00           F  
HETATM   31  F   UNL     1       4.924  -3.230   1.393  1.00  0.00           F  
HETATM   32  N   UNL     1      -2.612   1.703  -0.151  1.00  0.00           N  
HETATM   33  N   UNL     1       2.164   0.773   0.286  1.00  0.00           N  
HETATM   34  O   UNL     1      -4.066   3.017   1.348  1.00  0.00           O  
HETATM   35  O   UNL     1      -2.879   0.988   2.196  1.00  0.00           O  
HETATM   36  O   UNL     1      -0.321   1.461   1.600  1.00  0.00           O  
HETATM   37  O   UNL     1       3.232  -0.554  -1.138  1.00  0.00           O  
HETATM   38  O   UNL     1       4.483   0.846   0.044  1.00  0.00           O  
HETATM   39  O   UNL     1       7.000   2.129  -1.332  1.00  0.00           O  
HETATM   40  O   UNL     1       8.375   2.266   0.562  1.00  0.00           O  
HETATM   41  O   UNL     1      -7.965  -2.982  -0.607  1.00  0.00           O  
HETATM   42  S   UNL     1      -3.590   1.688   1.185  1.00  0.00           S  
HETATM   43  H   UNL     1      -0.009   2.159  -0.319  1.00  0.00           H  
HETATM   44  H   UNL     1       0.871  -0.043  -1.150  1.00  0.00           H  
HETATM   45  H   UNL     1       5.480  -0.716  -0.940  1.00  0.00           H  
HETATM   46  H   UNL     1       6.474   0.579  -2.629  1.00  0.00           H  
HETATM   47  H   UNL     1       5.154   1.715  -2.218  1.00  0.00           H  
HETATM   48  H   UNL     1       8.639   0.855  -0.967  1.00  0.00           H  
HETATM   49  H   UNL     1       7.647   2.841   2.433  1.00  0.00           H  
HETATM   50  H   UNL     1       8.536   1.290   2.384  1.00  0.00           H  
HETATM   51  H   UNL     1       0.695  -0.833   1.792  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.390  -1.437   0.517  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.067  -2.494   0.930  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.103  -1.115   1.481  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.130   2.348   0.035  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.094   0.969  -0.516  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.813   2.983  -1.608  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.209   3.633  -0.715  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.486   0.416  -1.365  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.848  -0.206   0.263  1.00  0.00           H  
HETATM   61  H   UNL     1       7.338  -0.577   0.493  1.00  0.00           H  
HETATM   62  H   UNL     1       6.264   0.512   2.391  1.00  0.00           H  
HETATM   63  H   UNL     1       5.700   1.885   1.378  1.00  0.00           H  
HETATM   64  H   UNL     1       0.434  -2.934  -1.209  1.00  0.00           H  
HETATM   65  H   UNL     1       4.225  -4.792  -0.579  1.00  0.00           H  
HETATM   66  H   UNL     1       3.029  -1.493   1.852  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.651   1.885  -1.816  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.086   3.703  -3.704  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.686   2.995  -4.033  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.492   4.187  -2.725  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.963   0.213  -2.339  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.659   0.791  -3.871  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.062   1.373  -3.344  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.968  -1.212  -0.967  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.619  -0.862   1.400  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.155  -2.457   0.820  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.719  -2.326   1.864  1.00  0.00           H  
HETATM   78  H   UNL     1       2.211   1.474   0.955  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.522   0.672   2.121  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.453  -3.469   0.054  1.00  0.00           H  
CONECT    1   36   16    2   43                                       
CONECT    2    1    8   33   44                                       
CONECT    3   33   38   37   37                                       
CONECT    4   38    5   17   45                                       
CONECT    5   39    4   46   47                                       
CONECT    6   39   40   17   48                                       
CONECT    7   40   18   49   50                                       
CONECT    8    2   19   51   52                                       
CONECT    9   28   14   14   10                                       
CONECT   10    9   11   11   53                                       
CONECT   11   10   10   12   54                                       
CONECT   12   13   13   11   42                                       
CONECT   13   14   12   12   55                                       
CONECT   14    9    9   13   56                                       
CONECT   15   25   32   57   58                                       
CONECT   16    1   32   59   60                                       
CONECT   17    4    6   18   61                                       
CONECT   18    7   17   62   63                                       
CONECT   19    8   24   24   20                                       
CONECT   20   19   21   21   64                                       
CONECT   21   20   20   22   30                                       
CONECT   22   23   23   21   65                                       
CONECT   23   24   31   22   22                                       
CONECT   24   19   19   23   66                                       
CONECT   25   26   15   27   67                                       
CONECT   26   25   68   69   70                                       
CONECT   27   25   71   72   73                                       
CONECT   28   41   29    9   74                                       
CONECT   29   28   75   76   77                                       
CONECT   30   21                                                      
CONECT   31   23                                                      
CONECT   32   15   16   42                                            
CONECT   33    2    3   78                                            
CONECT   34   42   42                                                 
CONECT   35   42   42                                                 
CONECT   36    1   79                                                 
CONECT   37    3    3                                                 
CONECT   38    3    4                                                 
CONECT   39    5    6                                                 
CONECT   40    7    6                                                 
CONECT   41   28   80                                                 
CONECT   42   32   12   34   34                                       
CONECT   42   35   35                                                 
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   20                                                      
CONECT   65   22                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   33                                                      
CONECT   79   36                                                      
CONECT   80   41                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
