COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.995   4.633  -0.409  1.00  0.00           N  
HETATM    2  N   UNL     1       0.276   0.308   1.190  1.00  0.00           N  
HETATM    3  C   UNL     1       9.082   3.886  -1.110  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.899  -0.903  -0.506  1.00  0.00           C  
HETATM    5  C   UNL     1       8.413   2.791  -1.920  1.00  0.00           C  
HETATM    6  C   UNL     1     -11.630   0.278  -0.662  1.00  0.00           C  
HETATM    7  C   UNL     1       9.451   1.836  -2.584  1.00  0.00           C  
HETATM    8  C   UNL     1       8.805   0.443  -2.823  1.00  0.00           C  
HETATM    9  C   UNL     1     -15.266  -0.634  -0.877  1.00  0.00           C  
HETATM   10  C   UNL     1     -13.696   1.225   0.373  1.00  0.00           C  
HETATM   11  C   UNL     1     -15.792   0.347  -0.039  1.00  0.00           C  
HETATM   12  C   UNL     1       7.998   1.095   4.176  1.00  0.00           C  
HETATM   13  C   UNL     1     -20.220   1.702   1.602  1.00  0.00           C  
HETATM   14  C   UNL     1       8.696   1.860   1.230  1.00  0.00           C  
HETATM   15  C   UNL     1       8.105  -1.701   0.258  1.00  0.00           C  
HETATM   16  C   UNL     1       9.788   4.855  -2.050  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.620  -0.889  -1.150  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.757   1.362  -1.538  1.00  0.00           C  
HETATM   19  O   UNL     1      -7.226   2.474  -1.674  1.00  0.00           O  
HETATM   20  C   UNL     1       7.997  -0.916  -1.010  1.00  0.00           C  
HETATM   21  N   UNL     1      -7.499   0.286  -1.240  1.00  0.00           N  
HETATM   22  O   UNL     1       6.838  -0.840  -1.548  1.00  0.00           O  
HETATM   23  C   UNL     1      -9.532  -0.897  -0.698  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.452   1.098  -1.672  1.00  0.00           O  
HETATM   25  N   UNL     1     -15.000   1.234   0.551  1.00  0.00           N  
HETATM   26  O   UNL     1       3.652  -6.714   0.085  1.00  0.00           O  
HETATM   27  N   UNL     1      -2.965   0.016  -0.558  1.00  0.00           N  
HETATM   28  O   UNL     1       1.967  -4.793   0.544  1.00  0.00           O  
HETATM   29  N   UNL     1     -17.900   1.266   0.956  1.00  0.00           N  
HETATM   30  O   UNL     1       4.200  -2.659   0.373  1.00  0.00           O  
HETATM   31  N   UNL     1     -19.156   0.982   0.898  1.00  0.00           N  
HETATM   32  O   UNL     1      -2.185  -0.571   1.434  1.00  0.00           O  
HETATM   33  N   UNL     1     -19.328  -0.033   0.125  1.00  0.00           N  
HETATM   34  O   UNL     1       5.666   1.641   4.385  1.00  0.00           O  
HETATM   35  C   UNL     1     -13.098   0.275  -0.456  1.00  0.00           C  
HETATM   36  N   UNL     1     -18.182  -0.416  -0.325  1.00  0.00           N  
HETATM   37  O   UNL     1       7.592   3.376  -2.867  1.00  0.00           O  
HETATM   38  O   UNL     1       9.695   2.334  -3.948  1.00  0.00           O  
HETATM   39  C   UNL     1     -13.901  -0.678  -1.090  1.00  0.00           C  
HETATM   40  O   UNL     1       8.991  -0.269  -1.596  1.00  0.00           O  
HETATM   41  C   UNL     1       9.382  -0.283  -3.970  1.00  0.00           C  
HETATM   42  O   UNL     1       4.898   0.208   2.707  1.00  0.00           O  
HETATM   43  O   UNL     1       2.520  -1.247   2.111  1.00  0.00           O  
HETATM   44  C   UNL     1       8.623  -1.595  -4.177  1.00  0.00           C  
HETATM   45  O   UNL     1       4.095   1.991   1.433  1.00  0.00           O  
HETATM   46  O   UNL     1       6.299  -2.909   1.349  1.00  0.00           O  
HETATM   47  C   UNL     1       8.436  -3.161  -0.011  1.00  0.00           C  
HETATM   48  C   UNL     1       6.555  -1.722   3.563  1.00  0.00           C  
HETATM   49  C   UNL     1     -17.256   0.402   0.196  1.00  0.00           C  
HETATM   50  C   UNL     1      -5.218  -0.322  -1.448  1.00  0.00           C  
HETATM   51  C   UNL     1       8.738   5.634   0.506  1.00  0.00           C  
HETATM   52  C   UNL     1      10.720   1.643  -1.875  1.00  0.00           C  
HETATM   53  C   UNL     1       4.033   0.577   1.630  1.00  0.00           C  
HETATM   54  C   UNL     1      -8.884   0.282  -1.046  1.00  0.00           C  
HETATM   55  C   UNL     1       2.596   0.172   1.969  1.00  0.00           C  
HETATM   56  C   UNL     1      -9.609   1.458  -1.201  1.00  0.00           C  
HETATM   57  C   UNL     1       1.667   0.624   0.839  1.00  0.00           C  
HETATM   58  C   UNL     1     -10.975   1.458  -1.011  1.00  0.00           C  
HETATM   59  C   UNL     1       1.815   2.137   0.645  1.00  0.00           C  
HETATM   60  C   UNL     1       3.282   2.465   0.357  1.00  0.00           C  
HETATM   61  C   UNL     1       3.448   3.980   0.222  1.00  0.00           C  
HETATM   62  C   UNL     1       5.408  -3.411   0.345  1.00  0.00           C  
HETATM   63  C   UNL     1       6.797  -1.598   1.081  1.00  0.00           C  
HETATM   64  C   UNL     1       5.090  -4.875   0.647  1.00  0.00           C  
HETATM   65  C   UNL     1       4.101  -5.424  -0.378  1.00  0.00           C  
HETATM   66  C   UNL     1       2.884  -4.524  -0.529  1.00  0.00           C  
HETATM   67  C   UNL     1       3.197  -3.038  -0.553  1.00  0.00           C  
HETATM   68  C   UNL     1       3.554  -2.570  -1.965  1.00  0.00           C  
HETATM   69  C   UNL     1       4.798  -5.633  -1.725  1.00  0.00           C  
HETATM   70  C   UNL     1       4.700  -7.672   0.245  1.00  0.00           C  
HETATM   71  C   UNL     1      -0.169   1.099   2.344  1.00  0.00           C  
HETATM   72  C   UNL     1      -0.616   0.507   0.040  1.00  0.00           C  
HETATM   73  C   UNL     1      -1.978  -0.055   0.356  1.00  0.00           C  
HETATM   74  C   UNL     1       7.058  -0.857   2.485  1.00  0.00           C  
HETATM   75  C   UNL     1      -4.289  -0.530  -0.250  1.00  0.00           C  
HETATM   76  C   UNL     1       6.326   0.479   2.449  1.00  0.00           C  
HETATM   77  C   UNL     1       6.711   1.512   3.425  1.00  0.00           C  
HETATM   78  C   UNL     1       6.908   2.848   2.824  1.00  0.00           C  
HETATM   79  C   UNL     1       7.952   3.114   1.630  1.00  0.00           C  
HETATM   80  C   UNL     1       7.230   3.678   0.452  1.00  0.00           C  
HETATM   81  F   UNL     1     -11.529  -2.047  -0.162  1.00  0.00           F  
HETATM   82  H   UNL     1       9.803   3.439  -0.355  1.00  0.00           H  
HETATM   83  H   UNL     1       7.848   2.145  -1.274  1.00  0.00           H  
HETATM   84  H   UNL     1       7.743   0.558  -3.000  1.00  0.00           H  
HETATM   85  H   UNL     1     -15.916  -1.355  -1.350  1.00  0.00           H  
HETATM   86  H   UNL     1     -13.085   1.965   0.866  1.00  0.00           H  
HETATM   87  H   UNL     1       7.794   0.214   4.785  1.00  0.00           H  
HETATM   88  H   UNL     1       8.781   0.863   3.454  1.00  0.00           H  
HETATM   89  H   UNL     1       8.326   1.913   4.817  1.00  0.00           H  
HETATM   90  H   UNL     1     -20.378   1.250   2.581  1.00  0.00           H  
HETATM   91  H   UNL     1     -19.932   2.746   1.726  1.00  0.00           H  
HETATM   92  H   UNL     1     -21.141   1.646   1.022  1.00  0.00           H  
HETATM   93  H   UNL     1       7.982   1.055   1.055  1.00  0.00           H  
HETATM   94  H   UNL     1       9.262   2.049   0.319  1.00  0.00           H  
HETATM   95  H   UNL     1       9.378   1.573   2.030  1.00  0.00           H  
HETATM   96  H   UNL     1       8.874  -1.233   0.893  1.00  0.00           H  
HETATM   97  H   UNL     1      10.209   5.679  -1.474  1.00  0.00           H  
HETATM   98  H   UNL     1      10.588   4.333  -2.576  1.00  0.00           H  
HETATM   99  H   UNL     1       9.073   5.246  -2.774  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.654  -1.318  -0.148  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.897  -1.635  -1.894  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.966  -1.808  -0.578  1.00  0.00           H  
HETATM  103  H   UNL     1      -2.799   0.429  -1.420  1.00  0.00           H  
HETATM  104  H   UNL     1       1.163  -4.257   0.519  1.00  0.00           H  
HETATM  105  H   UNL     1       5.838   2.303   5.068  1.00  0.00           H  
HETATM  106  H   UNL     1       6.894   3.931  -2.494  1.00  0.00           H  
HETATM  107  H   UNL     1      10.331   1.807  -4.451  1.00  0.00           H  
HETATM  108  H   UNL     1     -13.465  -1.430  -1.730  1.00  0.00           H  
HETATM  109  H   UNL     1       9.299   0.331  -4.867  1.00  0.00           H  
HETATM  110  H   UNL     1      10.432  -0.498  -3.773  1.00  0.00           H  
HETATM  111  H   UNL     1       3.088  -1.604   2.807  1.00  0.00           H  
HETATM  112  H   UNL     1       9.049  -2.131  -5.025  1.00  0.00           H  
HETATM  113  H   UNL     1       8.706  -2.208  -3.280  1.00  0.00           H  
HETATM  114  H   UNL     1       7.572  -1.380  -4.374  1.00  0.00           H  
HETATM  115  H   UNL     1       7.622  -3.620  -0.572  1.00  0.00           H  
HETATM  116  H   UNL     1       9.357  -3.224  -0.591  1.00  0.00           H  
HETATM  117  H   UNL     1       8.565  -3.684   0.936  1.00  0.00           H  
HETATM  118  H   UNL     1       7.083  -2.675   3.539  1.00  0.00           H  
HETATM  119  H   UNL     1       6.722  -1.237   4.525  1.00  0.00           H  
HETATM  120  H   UNL     1       5.488  -1.893   3.423  1.00  0.00           H  
HETATM  121  H   UNL     1      -4.800  -0.786  -2.342  1.00  0.00           H  
HETATM  122  H   UNL     1       9.472   5.099   1.109  1.00  0.00           H  
HETATM  123  H   UNL     1       9.244   6.379  -0.107  1.00  0.00           H  
HETATM  124  H   UNL     1       8.020   6.128   1.161  1.00  0.00           H  
HETATM  125  H   UNL     1      10.525   1.225  -0.887  1.00  0.00           H  
HETATM  126  H   UNL     1      11.352   0.958  -2.441  1.00  0.00           H  
HETATM  127  H   UNL     1      11.227   2.602  -1.770  1.00  0.00           H  
HETATM  128  H   UNL     1       4.349   0.068   0.720  1.00  0.00           H  
HETATM  129  H   UNL     1       2.294   0.648   2.902  1.00  0.00           H  
HETATM  130  H   UNL     1      -9.103   2.372  -1.472  1.00  0.00           H  
HETATM  131  H   UNL     1       1.936   0.109  -0.083  1.00  0.00           H  
HETATM  132  H   UNL     1     -11.537   2.372  -1.132  1.00  0.00           H  
HETATM  133  H   UNL     1       1.198   2.458  -0.194  1.00  0.00           H  
HETATM  134  H   UNL     1       1.495   2.653   1.550  1.00  0.00           H  
HETATM  135  H   UNL     1       3.588   1.982  -0.570  1.00  0.00           H  
HETATM  136  H   UNL     1       4.493   4.214   0.018  1.00  0.00           H  
HETATM  137  H   UNL     1       2.829   4.342  -0.599  1.00  0.00           H  
HETATM  138  H   UNL     1       3.142   4.464   1.149  1.00  0.00           H  
HETATM  139  H   UNL     1       5.891  -3.322  -0.626  1.00  0.00           H  
HETATM  140  H   UNL     1       6.067  -1.054   0.588  1.00  0.00           H  
HETATM  141  H   UNL     1       6.013  -5.460   0.613  1.00  0.00           H  
HETATM  142  H   UNL     1       4.661  -4.953   1.648  1.00  0.00           H  
HETATM  143  H   UNL     1       2.369  -4.789  -1.468  1.00  0.00           H  
HETATM  144  H   UNL     1       2.268  -2.500  -0.266  1.00  0.00           H  
HETATM  145  H   UNL     1       2.715  -2.760  -2.634  1.00  0.00           H  
HETATM  146  H   UNL     1       3.773  -1.503  -1.949  1.00  0.00           H  
HETATM  147  H   UNL     1       4.430  -3.115  -2.317  1.00  0.00           H  
HETATM  148  H   UNL     1       5.617  -6.342  -1.604  1.00  0.00           H  
HETATM  149  H   UNL     1       4.081  -6.025  -2.447  1.00  0.00           H  
HETATM  150  H   UNL     1       5.190  -4.681  -2.082  1.00  0.00           H  
HETATM  151  H   UNL     1       4.280  -8.615   0.596  1.00  0.00           H  
HETATM  152  H   UNL     1       5.198  -7.830  -0.711  1.00  0.00           H  
HETATM  153  H   UNL     1       5.422  -7.302   0.974  1.00  0.00           H  
HETATM  154  H   UNL     1      -0.102   2.161   2.105  1.00  0.00           H  
HETATM  155  H   UNL     1      -1.202   0.845   2.583  1.00  0.00           H  
HETATM  156  H   UNL     1       0.467   0.880   3.202  1.00  0.00           H  
HETATM  157  H   UNL     1      -0.703   1.573  -0.172  1.00  0.00           H  
HETATM  158  H   UNL     1      -0.206  -0.004  -0.831  1.00  0.00           H  
HETATM  159  H   UNL     1       8.123  -0.646   2.510  1.00  0.00           H  
HETATM  160  H   UNL     1      -4.202  -1.596  -0.039  1.00  0.00           H  
HETATM  161  H   UNL     1      -4.700  -0.019   0.621  1.00  0.00           H  
HETATM  162  H   UNL     1       6.284   0.873   1.337  1.00  0.00           H  
HETATM  163  H   UNL     1       5.915   3.234   2.375  1.00  0.00           H  
HETATM  164  H   UNL     1       7.114   3.641   3.604  1.00  0.00           H  
HETATM  165  H   UNL     1       8.711   3.825   2.121  1.00  0.00           H  
HETATM  166  H   UNL     1       6.345   4.316   0.814  1.00  0.00           H  
HETATM  167  H   UNL     1       6.833   2.890  -0.175  1.00  0.00           H  
CONECT    1   51    3   80                                            
CONECT    2   57   72   71                                            
CONECT    3    5    1   16   82                                       
CONECT    4    6   81   23   23                                       
CONECT    5   37    7    3   83                                       
CONECT    6   35   58   58    4                                       
CONECT    7    8   38    5   52                                       
CONECT    8   41   40    7   84                                       
CONECT    9   11   11   39   85                                       
CONECT   10   25   25   35   86                                       
CONECT   11   49    9    9   25                                       
CONECT   12   77   87   88   89                                       
CONECT   13   31   90   91   92                                       
CONECT   14   79   93   94   95                                       
CONECT   15   47   20   63   96                                       
CONECT   16    3   97   98   99                                       
CONECT   17   21   50  100  101                                       
CONECT   18   21   19   19   24                                       
CONECT   19   18   18                                                 
CONECT   20   22   22   15   40                                       
CONECT   21   54   17   18                                            
CONECT   22   20   20                                                 
CONECT   23    4    4   54  102                                       
CONECT   24   18   50                                                 
CONECT   25   11   10   10                                            
CONECT   26   65   70                                                 
CONECT   27   75   73  103                                            
CONECT   28   66  104                                                 
CONECT   29   31   49   49                                            
CONECT   30   67   62                                                 
CONECT   31   13   33   29                                            
CONECT   32   73   73                                                 
CONECT   33   31   36   36                                            
CONECT   34   77  105                                                 
CONECT   35   39   39   10    6                                       
CONECT   36   33   33   49                                            
CONECT   37    5  106                                                 
CONECT   38    7  107                                                 
CONECT   39    9   35   35  108                                       
CONECT   40   20    8                                                 
CONECT   41   44    8  109  110                                       
CONECT   42   76   53                                                 
CONECT   43   55  111                                                 
CONECT   44   41  112  113  114                                       
CONECT   45   60   53                                                 
CONECT   46   62   63                                                 
CONECT   47   15  115  116  117                                       
CONECT   48   74  118  119  120                                       
CONECT   49   29   29   36   11                                       
CONECT   50   75   17   24  121                                       
CONECT   51    1  122  123  124                                       
CONECT   52    7  125  126  127                                       
CONECT   53   45   42   55  128                                       
CONECT   54   56   56   23   21                                       
CONECT   55   53   57   43  129                                       
CONECT   56   58   54   54  130                                       
CONECT   57   59   55    2  131                                       
CONECT   58    6    6   56  132                                       
CONECT   59   60   57  133  134                                       
CONECT   60   61   45   59  135                                       
CONECT   61   60  136  137  138                                       
CONECT   62   64   30   46  139                                       
CONECT   63   46   15   74  140                                       
CONECT   64   65   62  141  142                                       
CONECT   65   69   66   64   26                                       
CONECT   66   65   28   67  143                                       
CONECT   67   66   68   30  144                                       
CONECT   68   67  145  146  147                                       
CONECT   69   65  148  149  150                                       
CONECT   70   26  151  152  153                                       
CONECT   71    2  154  155  156                                       
CONECT   72   73    2  157  158                                       
CONECT   73   27   72   32   32                                       
CONECT   74   63   48   76  159                                       
CONECT   75   27   50  160  161                                       
CONECT   76   74   77   42  162                                       
CONECT   77   34   76   12   78                                       
CONECT   78   77   79  163  164                                       
CONECT   79   78   80   14  165                                       
CONECT   80    1   79  166  167                                       
CONECT   81    4                                                      
CONECT   82    3                                                      
CONECT   83    5                                                      
CONECT   84    8                                                      
CONECT   85    9                                                      
CONECT   86   10                                                      
CONECT   87   12                                                      
CONECT   88   12                                                      
CONECT   89   12                                                      
CONECT   90   13                                                      
CONECT   91   13                                                      
CONECT   92   13                                                      
CONECT   93   14                                                      
CONECT   94   14                                                      
CONECT   95   14                                                      
CONECT   96   15                                                      
CONECT   97   16                                                      
CONECT   98   16                                                      
CONECT   99   16                                                      
CONECT  100   17                                                      
CONECT  101   17                                                      
CONECT  102   23                                                      
CONECT  103   27                                                      
CONECT  104   28                                                      
CONECT  105   34                                                      
CONECT  106   37                                                      
CONECT  107   38                                                      
CONECT  108   39                                                      
CONECT  109   41                                                      
CONECT  110   41                                                      
CONECT  111   43                                                      
CONECT  112   44                                                      
CONECT  113   44                                                      
CONECT  114   44                                                      
CONECT  115   47                                                      
CONECT  116   47                                                      
CONECT  117   47                                                      
CONECT  118   48                                                      
CONECT  119   48                                                      
CONECT  120   48                                                      
CONECT  121   50                                                      
CONECT  122   51                                                      
CONECT  123   51                                                      
CONECT  124   51                                                      
CONECT  125   52                                                      
CONECT  126   52                                                      
CONECT  127   52                                                      
CONECT  128   53                                                      
CONECT  129   55                                                      
CONECT  130   56                                                      
CONECT  131   57                                                      
CONECT  132   58                                                      
CONECT  133   59                                                      
CONECT  134   59                                                      
CONECT  135   60                                                      
CONECT  136   61                                                      
CONECT  137   61                                                      
CONECT  138   61                                                      
CONECT  139   62                                                      
CONECT  140   63                                                      
CONECT  141   64                                                      
CONECT  142   64                                                      
CONECT  143   66                                                      
CONECT  144   67                                                      
CONECT  145   68                                                      
CONECT  146   68                                                      
CONECT  147   68                                                      
CONECT  148   69                                                      
CONECT  149   69                                                      
CONECT  150   69                                                      
CONECT  151   70                                                      
CONECT  152   70                                                      
CONECT  153   70                                                      
CONECT  154   71                                                      
CONECT  155   71                                                      
CONECT  156   71                                                      
CONECT  157   72                                                      
CONECT  158   72                                                      
CONECT  159   74                                                      
CONECT  160   75                                                      
CONECT  161   75                                                      
CONECT  162   76                                                      
CONECT  163   78                                                      
CONECT  164   78                                                      
CONECT  165   79                                                      
CONECT  166   80                                                      
CONECT  167   80                                                      
MASTER        0    0    0    0    0    0    0    0  167    0  167    0
END
