COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.839  -5.391  -0.218  1.00  0.00           C  
HETATM    2  C   UNL     1       3.756  -4.630   0.175  1.00  0.00           C  
HETATM    3  C   UNL     1       3.430  -3.475  -0.523  1.00  0.00           C  
HETATM    4  C   UNL     1       4.195  -3.087  -1.614  1.00  0.00           C  
HETATM    5  C   UNL     1       5.278  -3.850  -2.004  1.00  0.00           C  
HETATM    6  C   UNL     1       5.601  -5.002  -1.307  1.00  0.00           C  
HETATM    7  C   UNL     1       5.196  -6.642   0.543  1.00  0.00           C  
HETATM    8  C   UNL     1       6.108  -3.430  -3.189  1.00  0.00           C  
HETATM    9  C   UNL     1       0.315  -2.175   0.570  1.00  0.00           C  
HETATM   10  C   UNL     1       1.050  -0.997   0.363  1.00  0.00           C  
HETATM   11  C   UNL     1       2.286  -1.340  -0.066  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.116  -2.200   1.049  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.448  -0.840   1.676  1.00  0.00           C  
HETATM   14  C   UNL     1       0.490   0.385   0.603  1.00  0.00           C  
HETATM   15  C   UNL     1       1.125   0.995   1.854  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.830   1.066   0.187  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.271   0.774   0.211  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.494   1.066   0.198  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.230  -0.313   0.294  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.822  -0.465   0.302  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.090   3.164   0.052  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.812   1.515   0.168  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.848   0.612   0.233  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.593  -0.756   0.328  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.294  -1.222   0.359  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.562  -2.504   1.593  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.711  -3.515   1.594  1.00  0.00           C  
HETATM   28  C   UNL     1     -11.085  -1.984   0.367  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.950  -0.957   0.354  1.00  0.00           C  
HETATM   30  C   UNL     1     -12.431  -1.257   0.407  1.00  0.00           C  
HETATM   31  C   UNL     1     -11.008  -2.847  -0.894  1.00  0.00           C  
HETATM   32  C   UNL     1       3.503   0.175  -1.608  1.00  0.00           C  
HETATM   33  C   UNL     1       4.598   0.923  -1.520  1.00  0.00           C  
HETATM   34  C   UNL     1       4.325  -0.086   0.431  1.00  0.00           C  
HETATM   35  C   UNL     1       6.278   1.386   0.256  1.00  0.00           C  
HETATM   36  C   UNL     1       7.506   0.767   0.115  1.00  0.00           C  
HETATM   37  C   UNL     1       8.655   1.396   0.612  1.00  0.00           C  
HETATM   38  C   UNL     1       8.545   2.648   1.247  1.00  0.00           C  
HETATM   39  C   UNL     1       7.295   3.249   1.374  1.00  0.00           C  
HETATM   40  C   UNL     1       6.183   2.626   0.886  1.00  0.00           C  
HETATM   41  C   UNL     1      10.071   1.044   0.638  1.00  0.00           C  
HETATM   42  C   UNL     1      10.172   4.250   2.318  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.032   3.609   1.064  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.893   5.133   1.019  1.00  0.00           C  
HETATM   45  C   UNL     1      -1.761   5.569   1.951  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.634   3.517  -1.340  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.225   4.562  -3.188  1.00  0.00           C  
HETATM   48  F   UNL     1       6.660  -5.748  -1.690  1.00  0.00           F  
HETATM   49  F   UNL     1       7.597  -0.435  -0.495  1.00  0.00           F  
HETATM   50  N   UNL     1       2.330  -2.701  -0.125  1.00  0.00           N  
HETATM   51  N   UNL     1       1.078  -3.190   0.276  1.00  0.00           N  
HETATM   52  N   UNL     1       3.323  -0.463  -0.388  1.00  0.00           N  
HETATM   53  N   UNL     1      -0.964   0.235   0.799  1.00  0.00           N  
HETATM   54  N   UNL     1      -4.280   1.715   0.150  1.00  0.00           N  
HETATM   55  N   UNL     1      -8.659  -1.660   0.393  1.00  0.00           N  
HETATM   56  N   UNL     1       5.121   0.766  -0.244  1.00  0.00           N  
HETATM   57  N   UNL     1      10.710   2.010   1.234  1.00  0.00           N  
HETATM   58  N   UNL     1       9.814   3.011   1.622  1.00  0.00           N  
HETATM   59  N   UNL     1      -3.031   2.735  -2.170  1.00  0.00           N  
HETATM   60  N   UNL     1      -3.789   4.737  -1.968  1.00  0.00           N  
HETATM   61  O   UNL     1      -1.420   2.058  -0.386  1.00  0.00           O  
HETATM   62  O   UNL     1     -10.956  -2.815   1.524  1.00  0.00           O  
HETATM   63  O   UNL     1       4.483  -0.452   1.582  1.00  0.00           O  
HETATM   64  O   UNL     1      -2.787   3.294  -3.215  1.00  0.00           O  
HETATM   65  O   UNL     1      -3.137   5.386  -4.077  1.00  0.00           O  
HETATM   66  H   UNL     1       3.161  -4.934   1.024  1.00  0.00           H  
HETATM   67  H   UNL     1       3.943  -2.188  -2.158  1.00  0.00           H  
HETATM   68  H   UNL     1       4.672  -7.493   0.109  1.00  0.00           H  
HETATM   69  H   UNL     1       6.272  -6.808   0.484  1.00  0.00           H  
HETATM   70  H   UNL     1       4.903  -6.529   1.587  1.00  0.00           H  
HETATM   71  H   UNL     1       6.918  -2.781  -2.854  1.00  0.00           H  
HETATM   72  H   UNL     1       6.526  -4.313  -3.672  1.00  0.00           H  
HETATM   73  H   UNL     1       5.481  -2.890  -3.899  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.781  -2.385   0.205  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.240  -2.986   1.793  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.527  -0.751   1.799  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.964  -0.762   2.649  1.00  0.00           H  
HETATM   78  H   UNL     1       0.686   1.021  -0.261  1.00  0.00           H  
HETATM   79  H   UNL     1       2.204   1.064   1.717  1.00  0.00           H  
HETATM   80  H   UNL     1       0.715   1.992   2.020  1.00  0.00           H  
HETATM   81  H   UNL     1       0.907   0.365   2.716  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.283  -1.399   0.369  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.032   3.669   0.265  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.021   2.572   0.095  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.868   0.966   0.210  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.100  -2.282   0.432  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.627  -1.879   2.484  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.610  -3.035   1.589  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.616  -4.175   0.732  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.677  -4.105   2.510  1.00  0.00           H  
HETATM   91  H   UNL     1     -10.011  -0.359  -0.555  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.037  -0.307   1.225  1.00  0.00           H  
HETATM   93  H   UNL     1     -12.527  -0.621  -0.473  1.00  0.00           H  
HETATM   94  H   UNL     1     -13.239  -1.989   0.417  1.00  0.00           H  
HETATM   95  H   UNL     1     -12.486  -0.644   1.307  1.00  0.00           H  
HETATM   96  H   UNL     1     -10.050  -3.366  -0.921  1.00  0.00           H  
HETATM   97  H   UNL     1     -11.816  -3.578  -0.884  1.00  0.00           H  
HETATM   98  H   UNL     1     -11.103  -2.212  -1.775  1.00  0.00           H  
HETATM   99  H   UNL     1       2.864   0.083  -2.474  1.00  0.00           H  
HETATM  100  H   UNL     1       5.009   1.543  -2.303  1.00  0.00           H  
HETATM  101  H   UNL     1       7.206   4.209   1.860  1.00  0.00           H  
HETATM  102  H   UNL     1       5.218   3.100   0.989  1.00  0.00           H  
HETATM  103  H   UNL     1      10.510   0.144   0.235  1.00  0.00           H  
HETATM  104  H   UNL     1      10.128   4.087   3.395  1.00  0.00           H  
HETATM  105  H   UNL     1      11.183   4.545   2.037  1.00  0.00           H  
HETATM  106  H   UNL     1       9.473   5.038   2.040  1.00  0.00           H  
HETATM  107  H   UNL     1      -3.334   3.301   2.065  1.00  0.00           H  
HETATM  108  H   UNL     1      -2.075   3.150   0.815  1.00  0.00           H  
HETATM  109  H   UNL     1      -2.667   5.447   0.000  1.00  0.00           H  
HETATM  110  H   UNL     1      -3.828   5.592   1.342  1.00  0.00           H  
HETATM  111  H   UNL     1      -1.944   5.179   2.952  1.00  0.00           H  
HETATM  112  H   UNL     1      -0.813   5.182   1.577  1.00  0.00           H  
HETATM  113  H   UNL     1      -1.720   6.658   1.987  1.00  0.00           H  
HETATM  114  H   UNL     1      -4.208   5.538  -1.615  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3   66                                       
CONECT    3    2    4    4   50                                       
CONECT    4    3    3    5   67                                       
CONECT    5    4    6    6    8                                       
CONECT    6    1    5    5   48                                       
CONECT    7    1   68   69   70                                       
CONECT    8    5   71   72   73                                       
CONECT    9   10   12   51   51                                       
CONECT   10    9   11   11   14                                       
CONECT   11   10   10   50   52                                       
CONECT   12    9   13   74   75                                       
CONECT   13   12   53   76   77                                       
CONECT   14   10   15   53   78                                       
CONECT   15   14   79   80   81                                       
CONECT   16   17   53   61   61                                       
CONECT   17   16   20   20   54                                       
CONECT   18   19   19   22   54                                       
CONECT   19   18   18   20   25                                       
CONECT   20   17   17   19   82                                       
CONECT   21   43   46   54   83                                       
CONECT   22   18   23   23   84                                       
CONECT   23   22   22   24   85                                       
CONECT   24   23   25   25   55                                       
CONECT   25   19   24   24   86                                       
CONECT   26   27   55   87   88                                       
CONECT   27   26   62   89   90                                       
CONECT   28   29   30   31   62                                       
CONECT   29   28   55   91   92                                       
CONECT   30   28   93   94   95                                       
CONECT   31   28   96   97   98                                       
CONECT   32   33   33   52   99                                       
CONECT   33   32   32   56  100                                       
CONECT   34   52   56   63   63                                       
CONECT   35   36   36   40   56                                       
CONECT   36   35   35   37   49                                       
CONECT   37   36   38   38   41                                       
CONECT   38   37   37   39   58                                       
CONECT   39   38   40   40  101                                       
CONECT   40   35   39   39  102                                       
CONECT   41   37   57   57  103                                       
CONECT   42   58  104  105  106                                       
CONECT   43   21   44  107  108                                       
CONECT   44   43   45  109  110                                       
CONECT   45   44  111  112  113                                       
CONECT   46   21   59   59   60                                       
CONECT   47   60   64   65   65                                       
CONECT   48    6                                                      
CONECT   49   36                                                      
CONECT   50   11   51    3                                            
CONECT   51    9    9   50                                            
CONECT   52   11   32   34                                            
CONECT   53   13   14   16                                            
CONECT   54   17   18   21                                            
CONECT   55   24   26   29                                            
CONECT   56   33   34   35                                            
CONECT   57   41   41   58                                            
CONECT   58   38   42   57                                            
CONECT   59   46   46   64                                            
CONECT   60   46   47  114                                            
CONECT   61   16   16                                                 
CONECT   62   27   28                                                 
CONECT   63   34   34                                                 
CONECT   64   47   59                                                 
CONECT   65   47   47                                                 
CONECT   66    2                                                      
CONECT   67    4                                                      
CONECT   68    7                                                      
CONECT   69    7                                                      
CONECT   70    7                                                      
CONECT   71    8                                                      
CONECT   72    8                                                      
CONECT   73    8                                                      
CONECT   74   12                                                      
CONECT   75   12                                                      
CONECT   76   13                                                      
CONECT   77   13                                                      
CONECT   78   14                                                      
CONECT   79   15                                                      
CONECT   80   15                                                      
CONECT   81   15                                                      
CONECT   82   20                                                      
CONECT   83   21                                                      
CONECT   84   22                                                      
CONECT   85   23                                                      
CONECT   86   25                                                      
CONECT   87   26                                                      
CONECT   88   26                                                      
CONECT   89   27                                                      
CONECT   90   27                                                      
CONECT   91   29                                                      
CONECT   92   29                                                      
CONECT   93   30                                                      
CONECT   94   30                                                      
CONECT   95   30                                                      
CONECT   96   31                                                      
CONECT   97   31                                                      
CONECT   98   31                                                      
CONECT   99   32                                                      
CONECT  100   33                                                      
CONECT  101   39                                                      
CONECT  102   40                                                      
CONECT  103   41                                                      
CONECT  104   42                                                      
CONECT  105   42                                                      
CONECT  106   42                                                      
CONECT  107   43                                                      
CONECT  108   43                                                      
CONECT  109   44                                                      
CONECT  110   44                                                      
CONECT  111   45                                                      
CONECT  112   45                                                      
CONECT  113   45                                                      
CONECT  114   60                                                      
MASTER        0    0    0    0    0    0    0    0  114    0  114    0
END
