COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.447  -0.853  -0.030  1.00  0.00           C  
HETATM    2  C   UNL     1       8.135  -0.840  -0.926  1.00  0.00           C  
HETATM    3  C   UNL     1       5.963  -0.861  -2.066  1.00  0.00           C  
HETATM    4  C   UNL     1       0.351   1.866   1.673  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.758   2.919   1.627  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.671   3.610   0.358  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.538   0.196  -1.483  1.00  0.00           C  
HETATM    8  F   UNL     1      15.577  -2.889   0.702  1.00  0.00           F  
HETATM    9  C   UNL     1      14.844  -1.758   0.606  1.00  0.00           C  
HETATM   10  C   UNL     1      15.434  -0.585   0.162  1.00  0.00           C  
HETATM   11  F   UNL     1      16.743  -0.571  -0.174  1.00  0.00           F  
HETATM   12  C   UNL     1      14.682   0.573   0.064  1.00  0.00           C  
HETATM   13  C   UNL     1      13.341   0.557   0.408  1.00  0.00           C  
HETATM   14  F   UNL     1      12.606   1.687   0.312  1.00  0.00           F  
HETATM   15  C   UNL     1      12.753  -0.615   0.851  1.00  0.00           C  
HETATM   16  C   UNL     1      11.293  -0.631   1.225  1.00  0.00           C  
HETATM   17  N   UNL     1      10.722  -2.188  -0.577  1.00  0.00           N  
HETATM   18  C   UNL     1       8.964  -0.744   0.329  1.00  0.00           C  
HETATM   19  N   UNL     1       6.791  -0.769  -0.853  1.00  0.00           N  
HETATM   20  C   UNL     1       4.987   0.320  -2.084  1.00  0.00           C  
HETATM   21  N   UNL     1       4.237   0.351  -0.821  1.00  0.00           N  
HETATM   22  C   UNL     1       3.172   1.361  -0.865  1.00  0.00           C  
HETATM   23  C   UNL     1       2.276   1.200   0.336  1.00  0.00           C  
HETATM   24  N   UNL     1       1.222   2.023   0.506  1.00  0.00           N  
HETATM   25  O   UNL     1      -1.596   2.678   0.495  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.497   3.258  -0.881  1.00  0.00           C  
HETATM   27  O   UNL     1      -4.122   1.987  -0.691  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.922   1.561  -1.795  1.00  0.00           C  
HETATM   29  O   UNL     1      -6.445   0.322  -0.386  1.00  0.00           O  
HETATM   30  C   UNL     1      -7.078  -0.903  -0.012  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.021  -0.650   1.166  1.00  0.00           C  
HETATM   32  O   UNL     1      -9.082   0.212   0.750  1.00  0.00           O  
HETATM   33  C   UNL     1     -10.025   0.513   1.781  1.00  0.00           C  
HETATM   34  C   UNL     1     -11.110   1.438   1.226  1.00  0.00           C  
HETATM   35  O   UNL     1     -11.856   0.748   0.221  1.00  0.00           O  
HETATM   36  C   UNL     1     -12.900   1.528  -0.365  1.00  0.00           C  
HETATM   37  C   UNL     1     -13.628   0.693  -1.421  1.00  0.00           C  
HETATM   38  O   UNL     1     -14.286  -0.406  -0.788  1.00  0.00           O  
HETATM   39  C   UNL     1     -15.000  -1.254  -1.691  1.00  0.00           C  
HETATM   40  C   UNL     1     -15.661  -2.390  -0.908  1.00  0.00           C  
HETATM   41  N   UNL     1     -16.678  -1.837  -0.010  1.00  0.00           N  
HETATM   42  C   UNL     1     -17.394  -2.658   0.783  1.00  0.00           C  
HETATM   43  C   UNL     1     -18.440  -2.089   1.708  1.00  0.00           C  
HETATM   44  O   UNL     1     -17.198  -3.854   0.753  1.00  0.00           O  
HETATM   45  O   UNL     1       2.502   0.329   1.148  1.00  0.00           O  
HETATM   46  C   UNL     1       5.130   0.577   0.324  1.00  0.00           C  
HETATM   47  C   UNL     1       6.113  -0.599   0.441  1.00  0.00           C  
HETATM   48  O   UNL     1       8.677  -0.982  -2.002  1.00  0.00           O  
HETATM   49  C   UNL     1      13.502  -1.773   0.945  1.00  0.00           C  
HETATM   50  H   UNL     1      10.697  -0.097  -0.775  1.00  0.00           H  
HETATM   51  H   UNL     1       6.601  -0.822  -2.948  1.00  0.00           H  
HETATM   52  H   UNL     1       5.405  -1.797  -2.058  1.00  0.00           H  
HETATM   53  H   UNL     1       0.937   1.995   2.584  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.092   0.870   1.665  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.353   2.860   2.538  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.315   3.911   1.546  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.305   3.566   1.243  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.267   4.617   0.251  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.075  -0.169  -2.358  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.748  -0.508  -1.222  1.00  0.00           H  
HETATM   61  H   UNL     1      15.141   1.487  -0.281  1.00  0.00           H  
HETATM   62  H   UNL     1      11.025   0.322   1.680  1.00  0.00           H  
HETATM   63  H   UNL     1      11.108  -1.437   1.935  1.00  0.00           H  
HETATM   64  H   UNL     1      10.499  -2.907   0.095  1.00  0.00           H  
HETATM   65  H   UNL     1      10.224  -2.335  -1.442  1.00  0.00           H  
HETATM   66  H   UNL     1       8.693  -1.555   1.005  1.00  0.00           H  
HETATM   67  H   UNL     1       8.777   0.213   0.815  1.00  0.00           H  
HETATM   68  H   UNL     1       5.543   1.250  -2.199  1.00  0.00           H  
HETATM   69  H   UNL     1       4.293   0.206  -2.916  1.00  0.00           H  
HETATM   70  H   UNL     1       3.615   2.357  -0.857  1.00  0.00           H  
HETATM   71  H   UNL     1       2.586   1.232  -1.776  1.00  0.00           H  
HETATM   72  H   UNL     1       1.041   2.720  -0.144  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.262   4.019  -1.036  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.845   3.215  -1.753  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.299   1.484  -2.687  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.716   2.287  -1.969  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.647  -1.291  -0.856  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.320  -1.630   0.280  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.437  -1.598   1.509  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.469  -0.180   1.980  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.482  -0.410   2.137  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.514   1.008   2.608  1.00  0.00           H  
HETATM   83  H   UNL     1     -11.778   1.739   2.033  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.645   2.323   0.790  1.00  0.00           H  
HETATM   85  H   UNL     1     -13.606   1.830   0.408  1.00  0.00           H  
HETATM   86  H   UNL     1     -12.473   2.414  -0.834  1.00  0.00           H  
HETATM   87  H   UNL     1     -14.365   1.314  -1.930  1.00  0.00           H  
HETATM   88  H   UNL     1     -12.907   0.316  -2.147  1.00  0.00           H  
HETATM   89  H   UNL     1     -15.766  -0.673  -2.206  1.00  0.00           H  
HETATM   90  H   UNL     1     -14.308  -1.671  -2.422  1.00  0.00           H  
HETATM   91  H   UNL     1     -16.131  -3.085  -1.604  1.00  0.00           H  
HETATM   92  H   UNL     1     -14.907  -2.916  -0.323  1.00  0.00           H  
HETATM   93  H   UNL     1     -16.835  -0.880   0.014  1.00  0.00           H  
HETATM   94  H   UNL     1     -18.473  -1.005   1.596  1.00  0.00           H  
HETATM   95  H   UNL     1     -19.414  -2.510   1.457  1.00  0.00           H  
HETATM   96  H   UNL     1     -18.190  -2.341   2.738  1.00  0.00           H  
HETATM   97  H   UNL     1       5.684   1.504   0.175  1.00  0.00           H  
HETATM   98  H   UNL     1       4.539   0.649   1.237  1.00  0.00           H  
HETATM   99  H   UNL     1       5.568  -1.508   0.693  1.00  0.00           H  
HETATM  100  H   UNL     1       6.850  -0.384   1.215  1.00  0.00           H  
HETATM  101  H   UNL     1      13.042  -2.687   1.290  1.00  0.00           H  
CONECT    1   18   17   16   50                                       
CONECT    2   19   18   48   48                                       
CONECT    3   20   19   51   52                                       
CONECT    4    5   24   53   54                                       
CONECT    5   25    4   55   56                                       
CONECT    6   26   25   57   58                                       
CONECT    7   29   28   59   60                                       
CONECT    8    9                                                      
CONECT    9   10   10   49    8                                       
CONECT   10   12   11    9    9                                       
CONECT   11   10                                                      
CONECT   12   13   13   10   61                                       
CONECT   13   14   12   12   15                                       
CONECT   14   13                                                      
CONECT   15   13   16   49   49                                       
CONECT   16    1   15   62   63                                       
CONECT   17    1   64   65                                            
CONECT   18    2    1   66   67                                       
CONECT   19   47    3    2                                            
CONECT   20   21    3   68   69                                       
CONECT   21   22   46   20                                            
CONECT   22   23   21   70   71                                       
CONECT   23   24   45   45   22                                       
CONECT   24    4   23   72                                            
CONECT   25    6    5                                                 
CONECT   26   27    6   73   74                                       
CONECT   27   28   26                                                 
CONECT   28    7   27   75   76                                       
CONECT   29   30    7                                                 
CONECT   30   31   29   77   78                                       
CONECT   31   32   30   79   80                                       
CONECT   32   33   31                                                 
CONECT   33   34   32   81   82                                       
CONECT   34   35   33   83   84                                       
CONECT   35   36   34                                                 
CONECT   36   37   35   85   86                                       
CONECT   37   38   36   87   88                                       
CONECT   38   39   37                                                 
CONECT   39   40   38   89   90                                       
CONECT   40   39   41   91   92                                       
CONECT   41   40   42   93                                            
CONECT   42   44   44   41   43                                       
CONECT   43   42   94   95   96                                       
CONECT   44   42   42                                                 
CONECT   45   23   23                                                 
CONECT   46   21   47   97   98                                       
CONECT   47   46   19   99  100                                       
CONECT   48    2    2                                                 
CONECT   49   15   15    9  101                                       
CONECT   50    1                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61   12                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   24                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   33                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   34                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   37                                                      
CONECT   89   39                                                      
CONECT   90   39                                                      
CONECT   91   40                                                      
CONECT   92   40                                                      
CONECT   93   41                                                      
CONECT   94   43                                                      
CONECT   95   43                                                      
CONECT   96   43                                                      
CONECT   97   46                                                      
CONECT   98   46                                                      
CONECT   99   47                                                      
CONECT  100   47                                                      
CONECT  101   49                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
