COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.662   1.866   0.846  1.00  0.00           C  
HETATM    2  C   UNL     1       2.275   2.214  -0.238  1.00  0.00           C  
HETATM    3  C   UNL     1       3.228   4.514  -0.052  1.00  0.00           C  
HETATM    4  C   UNL     1       3.162   4.212   1.462  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.995   0.478   3.824  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.626   0.739   2.387  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.612   0.945   1.439  1.00  0.00           C  
HETATM    8  N   UNL     1      -6.305   1.174   0.176  1.00  0.00           N  
HETATM    9  C   UNL     1      -5.055   1.220  -0.238  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.003   1.023   0.656  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.297   0.781   2.002  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.599   1.078   0.190  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.409   1.925   0.433  1.00  0.00           N  
HETATM   14  C   UNL     1       0.030   1.248  -0.614  1.00  0.00           C  
HETATM   15  N   UNL     1       1.362   1.355  -0.996  1.00  0.00           N  
HETATM   16  C   UNL     1       2.163   3.653  -0.750  1.00  0.00           C  
HETATM   17  C   UNL     1       4.115   3.017   1.669  1.00  0.00           C  
HETATM   18  C   UNL     1       4.671   2.705   0.260  1.00  0.00           C  
HETATM   19  N   UNL     1       4.558   3.995  -0.471  1.00  0.00           N  
HETATM   20  C   UNL     1       3.711   1.713  -0.415  1.00  0.00           C  
HETATM   21  C   UNL     1       3.857   0.336   0.235  1.00  0.00           C  
HETATM   22  C   UNL     1       2.994  -0.678  -0.519  1.00  0.00           C  
HETATM   23  C   UNL     1       3.140  -2.055   0.131  1.00  0.00           C  
HETATM   24  C   UNL     1       2.570  -2.013   1.550  1.00  0.00           C  
HETATM   25  C   UNL     1       2.716  -3.390   2.200  1.00  0.00           C  
HETATM   26  C   UNL     1       1.953  -4.428   1.374  1.00  0.00           C  
HETATM   27  F   UNL     1       2.087  -5.687   1.968  1.00  0.00           F  
HETATM   28  F   UNL     1       0.599  -4.078   1.322  1.00  0.00           F  
HETATM   29  C   UNL     1       2.524  -4.470  -0.045  1.00  0.00           C  
HETATM   30  C   UNL     1       2.377  -3.093  -0.695  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.839   0.425  -1.341  1.00  0.00           C  
HETATM   32  N   UNL     1      -0.410  -0.291  -2.437  1.00  0.00           N  
HETATM   33  C   UNL     1      -1.259  -1.077  -3.123  1.00  0.00           C  
HETATM   34  O   UNL     1      -0.846  -1.697  -4.088  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.617  -1.201  -2.755  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.533  -2.093  -3.552  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.098  -0.520  -1.684  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.179   0.330  -0.932  1.00  0.00           C  
HETATM   39  H   UNL     1      -1.966   2.445   1.706  1.00  0.00           H  
HETATM   40  H   UNL     1       2.008   2.184   0.819  1.00  0.00           H  
HETATM   41  H   UNL     1       3.104   5.575  -0.267  1.00  0.00           H  
HETATM   42  H   UNL     1       3.504   5.073   2.036  1.00  0.00           H  
HETATM   43  H   UNL     1       2.146   3.941   1.751  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.111  -0.595   3.980  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.208   0.857   4.476  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.933   0.983   4.056  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.649   0.916   1.736  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.844   1.411  -1.280  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.507   0.625   2.722  1.00  0.00           H  
HETATM   50  H   UNL     1       1.687   0.859  -1.763  1.00  0.00           H  
HETATM   51  H   UNL     1       2.328   3.670  -1.828  1.00  0.00           H  
HETATM   52  H   UNL     1       1.171   4.045  -0.525  1.00  0.00           H  
HETATM   53  H   UNL     1       4.926   3.290   2.345  1.00  0.00           H  
HETATM   54  H   UNL     1       3.569   2.158   2.060  1.00  0.00           H  
HETATM   55  H   UNL     1       5.694   2.329   0.294  1.00  0.00           H  
HETATM   56  H   UNL     1       4.591   3.849  -1.468  1.00  0.00           H  
HETATM   57  H   UNL     1       3.945   1.644  -1.478  1.00  0.00           H  
HETATM   58  H   UNL     1       4.901   0.024   0.195  1.00  0.00           H  
HETATM   59  H   UNL     1       1.950  -0.367  -0.479  1.00  0.00           H  
HETATM   60  H   UNL     1       4.195  -2.328   0.172  1.00  0.00           H  
HETATM   61  H   UNL     1       3.113  -1.274   2.138  1.00  0.00           H  
HETATM   62  H   UNL     1       1.515  -1.741   1.510  1.00  0.00           H  
HETATM   63  H   UNL     1       3.771  -3.663   2.241  1.00  0.00           H  
HETATM   64  H   UNL     1       2.309  -3.360   3.211  1.00  0.00           H  
HETATM   65  H   UNL     1       3.578  -4.742  -0.004  1.00  0.00           H  
HETATM   66  H   UNL     1       1.980  -5.209  -0.633  1.00  0.00           H  
HETATM   67  H   UNL     1       1.323  -2.820  -0.735  1.00  0.00           H  
HETATM   68  H   UNL     1       2.784  -3.123  -1.706  1.00  0.00           H  
HETATM   69  H   UNL     1       0.517  -0.228  -2.716  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.974  -2.554  -4.366  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.938  -2.871  -2.904  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.351  -1.500  -3.962  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.134  -0.607  -1.393  1.00  0.00           H  
HETATM   74  H   UNL     1       3.533   0.388   1.274  1.00  0.00           H  
HETATM   75  H   UNL     1       3.319  -0.730  -1.558  1.00  0.00           H  
CONECT    1   13   12   12   39                                       
CONECT    2   16   20   15   40                                       
CONECT    3   19    4   16   41                                       
CONECT    4    3   17   42   43                                       
CONECT    5    6   44   45   46                                       
CONECT    6   11    5    7    7                                       
CONECT    7    6    6    8   47                                       
CONECT    8    9    9    7                                            
CONECT    9   10    8    8   48                                       
CONECT   10   12   11   11    9                                       
CONECT   11   10   10    6   49                                       
CONECT   12    1    1   38   10                                       
CONECT   13   14   14    1                                            
CONECT   14   15   13   13   31                                       
CONECT   15    2   14   50                                            
CONECT   16    3    2   51   52                                       
CONECT   17    4   18   53   54                                       
CONECT   18   19   17   20   55                                       
CONECT   19    3   18   56                                            
CONECT   20   18    2   21   57                                       
CONECT   21   20   22   58   74                                       
CONECT   22   21   23   59   75                                       
CONECT   23   22   30   24   60                                       
CONECT   24   23   25   61   62                                       
CONECT   25   24   26   63   64                                       
CONECT   26   29   25   28   27                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   30   26   65   66                                       
CONECT   30   23   29   67   68                                       
CONECT   31   14   32   38   38                                       
CONECT   32   31   33   69                                            
CONECT   33   34   34   32   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   37   37   36                                       
CONECT   36   35   70   71   72                                       
CONECT   37   38   35   35   73                                       
CONECT   38   31   31   12   37                                       
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48    9                                                      
CONECT   49   11                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   32                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   21                                                      
CONECT   75   22                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
