COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.831  -0.142  -0.546  1.00  0.00           C  
HETATM    2  C   UNL     1     -11.195  -0.238  -0.739  1.00  0.00           C  
HETATM    3  C   UNL     1     -11.881  -1.355  -0.296  1.00  0.00           C  
HETATM    4 CL   UNL     1     -13.596  -1.472  -0.541  1.00  0.00          Cl  
HETATM    5  C   UNL     1     -11.203  -2.379   0.342  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.839  -2.288   0.537  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.148  -1.169   0.094  1.00  0.00           C  
HETATM    8  N   UNL     1      -7.764  -1.074   0.291  1.00  0.00           N  
HETATM    9  N   UNL     1      -6.923  -0.526  -0.518  1.00  0.00           N  
HETATM   10  C   UNL     1      -7.086  -1.537   1.362  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.680  -2.244   2.553  1.00  0.00           C  
HETATM   12  N   UNL     1      -5.820  -1.261   1.178  1.00  0.00           N  
HETATM   13  C   UNL     1      -5.716  -0.625  -0.003  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.467  -0.124  -0.614  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.501   0.440  -1.690  1.00  0.00           O  
HETATM   16  N   UNL     1      -3.291  -0.292   0.023  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.053   0.205  -0.583  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.868   1.681  -0.226  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.989   2.505  -0.863  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.803   3.981  -0.506  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.877   4.769  -1.116  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.705   5.437  -0.362  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.493   5.510   0.994  1.00  0.00           N  
HETATM   24  N   UNL     1      -5.790   6.067  -0.923  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.884  -0.589  -0.059  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.067  -1.482   0.741  1.00  0.00           O  
HETATM   27  N   UNL     1       0.365  -0.306  -0.480  1.00  0.00           N  
HETATM   28  C   UNL     1       1.511  -1.002   0.110  1.00  0.00           C  
HETATM   29  C   UNL     1       1.780  -2.292  -0.668  1.00  0.00           C  
HETATM   30  C   UNL     1       2.965  -3.029  -0.041  1.00  0.00           C  
HETATM   31  C   UNL     1       2.588  -3.498   1.366  1.00  0.00           C  
HETATM   32  C   UNL     1       3.327  -4.240  -0.902  1.00  0.00           C  
HETATM   33  C   UNL     1       2.727  -0.113   0.044  1.00  0.00           C  
HETATM   34  O   UNL     1       2.751   0.825  -0.724  1.00  0.00           O  
HETATM   35  N   UNL     1       3.786  -0.361   0.839  1.00  0.00           N  
HETATM   36  C   UNL     1       4.923   0.563   0.854  1.00  0.00           C  
HETATM   37  C   UNL     1       4.675   1.659   1.893  1.00  0.00           C  
HETATM   38  C   UNL     1       4.659   1.040   3.293  1.00  0.00           C  
HETATM   39  C   UNL     1       5.791   2.702   1.810  1.00  0.00           C  
HETATM   40  C   UNL     1       5.703   3.437   0.471  1.00  0.00           C  
HETATM   41  C   UNL     1       6.179  -0.190   1.208  1.00  0.00           C  
HETATM   42  O   UNL     1       6.105  -1.268   1.759  1.00  0.00           O  
HETATM   43  N   UNL     1       7.385   0.334   0.911  1.00  0.00           N  
HETATM   44  C   UNL     1       8.601  -0.447   1.149  1.00  0.00           C  
HETATM   45  C   UNL     1       9.038  -0.274   2.581  1.00  0.00           C  
HETATM   46  O   UNL     1       8.397   0.433   3.329  1.00  0.00           O  
HETATM   47  N   UNL     1      10.142  -0.904   3.030  1.00  0.00           N  
HETATM   48  C   UNL     1       9.711   0.039   0.215  1.00  0.00           C  
HETATM   49  C   UNL     1       9.326  -0.247  -1.214  1.00  0.00           C  
HETATM   50  C   UNL     1       8.619   0.693  -1.941  1.00  0.00           C  
HETATM   51  C   UNL     1       8.265   0.431  -3.250  1.00  0.00           C  
HETATM   52  C   UNL     1       8.619  -0.773  -3.835  1.00  0.00           C  
HETATM   53  F   UNL     1       8.274  -1.030  -5.116  1.00  0.00           F  
HETATM   54  C   UNL     1       9.327  -1.714  -3.107  1.00  0.00           C  
HETATM   55  C   UNL     1       9.684  -1.448  -1.799  1.00  0.00           C  
HETATM   56  H   UNL     1      -9.295   0.728  -0.896  1.00  0.00           H  
HETATM   57  H   UNL     1     -11.727   0.560  -1.236  1.00  0.00           H  
HETATM   58  H   UNL     1     -11.741  -3.250   0.687  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.310  -3.088   1.035  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.694  -3.318   2.368  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.077  -2.035   3.437  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.698  -1.889   2.716  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.264  -0.742   0.881  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.109   0.098  -1.666  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.900   1.800   0.858  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.905   2.028  -0.600  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.956   2.386  -1.946  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.952   2.158  -0.488  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.836   4.100   0.577  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.840   4.327  -0.880  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.674   5.157   1.377  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.162   5.914   1.569  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.939   6.016  -1.880  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.406   6.564  -0.362  1.00  0.00           H  
HETATM   75  H   UNL     1       0.505   0.358  -1.173  1.00  0.00           H  
HETATM   76  H   UNL     1       1.294  -1.244   1.150  1.00  0.00           H  
HETATM   77  H   UNL     1       0.896  -2.929  -0.632  1.00  0.00           H  
HETATM   78  H   UNL     1       2.011  -2.049  -1.705  1.00  0.00           H  
HETATM   79  H   UNL     1       3.821  -2.356   0.018  1.00  0.00           H  
HETATM   80  H   UNL     1       3.454  -3.961   1.839  1.00  0.00           H  
HETATM   81  H   UNL     1       2.263  -2.643   1.959  1.00  0.00           H  
HETATM   82  H   UNL     1       1.777  -4.223   1.301  1.00  0.00           H  
HETATM   83  H   UNL     1       3.596  -3.906  -1.904  1.00  0.00           H  
HETATM   84  H   UNL     1       4.172  -4.765  -0.455  1.00  0.00           H  
HETATM   85  H   UNL     1       2.471  -4.913  -0.961  1.00  0.00           H  
HETATM   86  H   UNL     1       3.797  -1.152   1.401  1.00  0.00           H  
HETATM   87  H   UNL     1       5.036   1.016  -0.131  1.00  0.00           H  
HETATM   88  H   UNL     1       3.715   2.136   1.696  1.00  0.00           H  
HETATM   89  H   UNL     1       5.588   0.493   3.459  1.00  0.00           H  
HETATM   90  H   UNL     1       4.563   1.829   4.038  1.00  0.00           H  
HETATM   91  H   UNL     1       3.815   0.355   3.377  1.00  0.00           H  
HETATM   92  H   UNL     1       5.681   3.418   2.625  1.00  0.00           H  
HETATM   93  H   UNL     1       6.759   2.207   1.890  1.00  0.00           H  
HETATM   94  H   UNL     1       6.438   4.241   0.449  1.00  0.00           H  
HETATM   95  H   UNL     1       5.906   2.738  -0.340  1.00  0.00           H  
HETATM   96  H   UNL     1       4.704   3.855   0.351  1.00  0.00           H  
HETATM   97  H   UNL     1       7.448   1.228   0.541  1.00  0.00           H  
HETATM   98  H   UNL     1       8.400  -1.501   0.956  1.00  0.00           H  
HETATM   99  H   UNL     1       9.851   1.112   0.345  1.00  0.00           H  
HETATM  100  H   UNL     1      10.639  -0.480   0.452  1.00  0.00           H  
HETATM  101  H   UNL     1      10.655  -1.469   2.432  1.00  0.00           H  
HETATM  102  H   UNL     1      10.423  -0.792   3.951  1.00  0.00           H  
HETATM  103  H   UNL     1       8.343   1.632  -1.484  1.00  0.00           H  
HETATM  104  H   UNL     1      10.241  -2.179  -1.232  1.00  0.00           H  
HETATM  105  H   UNL     1       7.712   1.165  -3.818  1.00  0.00           H  
HETATM  106  H   UNL     1       9.603  -2.653  -3.562  1.00  0.00           H  
CONECT    1    2    7    7   56                                       
CONECT    2    1    3    3   57                                       
CONECT    3    2    2    4    5                                       
CONECT    4    3                                                      
CONECT    5    3    6    6   58                                       
CONECT    6    5    5    7   59                                       
CONECT    7    1    1    6    8                                       
CONECT    8    7    9   10                                            
CONECT    9    8   13   13                                            
CONECT   10    8   11   12   12                                       
CONECT   11   10   60   61   62                                       
CONECT   12   10   10   13                                            
CONECT   13    9    9   12   14                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   63                                            
CONECT   17   16   18   25   64                                       
CONECT   18   17   19   65   66                                       
CONECT   19   18   20   67   68                                       
CONECT   20   19   21   69   70                                       
CONECT   21   20   22   22                                            
CONECT   22   21   21   23   24                                       
CONECT   23   22   71   72                                            
CONECT   24   22   73   74                                            
CONECT   25   17   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   75                                            
CONECT   28   27   29   33   76                                       
CONECT   29   28   30   77   78                                       
CONECT   30   29   31   32   79                                       
CONECT   31   30   80   81   82                                       
CONECT   32   30   83   84   85                                       
CONECT   33   28   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   86                                            
CONECT   36   35   37   41   87                                       
CONECT   37   36   38   39   88                                       
CONECT   38   37   89   90   91                                       
CONECT   39   37   40   92   93                                       
CONECT   40   39   94   95   96                                       
CONECT   41   36   42   42   43                                       
CONECT   42   41   41                                                 
CONECT   43   41   44   97                                            
CONECT   44   43   45   48   98                                       
CONECT   45   44   46   46   47                                       
CONECT   46   45   45                                                 
CONECT   47   45  101  102                                            
CONECT   48   44   49   99  100                                       
CONECT   49   48   50   55   55                                       
CONECT   50   49   51   51  103                                       
CONECT   51   50   50   52  105                                       
CONECT   52   51   53   54   54                                       
CONECT   53   52                                                      
CONECT   54   52   52   55  106                                       
CONECT   55   49   49   54  104                                       
CONECT   56    1                                                      
CONECT   57    2                                                      
CONECT   58    5                                                      
CONECT   59    6                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   32                                                      
CONECT   86   35                                                      
CONECT   87   36                                                      
CONECT   88   37                                                      
CONECT   89   38                                                      
CONECT   90   38                                                      
CONECT   91   38                                                      
CONECT   92   39                                                      
CONECT   93   39                                                      
CONECT   94   40                                                      
CONECT   95   40                                                      
CONECT   96   40                                                      
CONECT   97   43                                                      
CONECT   98   44                                                      
CONECT   99   48                                                      
CONECT  100   48                                                      
CONECT  101   47                                                      
CONECT  102   47                                                      
CONECT  103   50                                                      
CONECT  104   55                                                      
CONECT  105   51                                                      
CONECT  106   54                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
