COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.149   2.558   2.034  1.00  0.00           O  
HETATM    2  O   UNL     1       1.142  -2.966   3.201  1.00  0.00           O  
HETATM    3  O   UNL     1      -0.719  -3.381   2.059  1.00  0.00           O  
HETATM    4  O   UNL     1      -4.515  -1.031  -0.189  1.00  0.00           O  
HETATM    5  O   UNL     1      -2.174   3.622  -0.919  1.00  0.00           O  
HETATM    6  N   UNL     1       6.715  -0.075   0.083  1.00  0.00           N  
HETATM    7  N   UNL     1       6.137   1.082   0.607  1.00  0.00           N  
HETATM    8  C   UNL     1       5.666  -3.199  -0.442  1.00  0.00           C  
HETATM    9  C   UNL     1       5.963  -2.019  -1.370  1.00  0.00           C  
HETATM   10  C   UNL     1       5.767  -0.726  -0.618  1.00  0.00           C  
HETATM   11  C   UNL     1       8.106  -0.504   0.259  1.00  0.00           C  
HETATM   12  C   UNL     1       4.869   1.122   0.254  1.00  0.00           C  
HETATM   13  C   UNL     1       3.975   2.260   0.657  1.00  0.00           C  
HETATM   14  C   UNL     1       3.407   1.848   3.007  1.00  0.00           C  
HETATM   15  C   UNL     1       3.909   0.412   3.146  1.00  0.00           C  
HETATM   16  C   UNL     1       2.761  -0.563   2.886  1.00  0.00           C  
HETATM   17  C   UNL     1       3.184  -1.584   1.829  1.00  0.00           C  
HETATM   18  C   UNL     1       0.928  -2.231   0.885  1.00  0.00           C  
HETATM   19  C   UNL     1       0.396  -2.895   2.080  1.00  0.00           C  
HETATM   20  C   UNL     1       0.263  -2.100  -0.294  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.127  -2.608  -0.581  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.149  -1.526  -0.228  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.560  -2.042  -0.520  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.824  -1.330  -0.390  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.182  -2.551  -0.887  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.520  -2.873  -1.100  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.510  -1.982  -0.818  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.823  -0.384  -0.082  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.183  -0.715  -0.305  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.180   0.226   0.002  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.827   1.442   0.508  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.488   1.765   0.728  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.496   0.879   0.436  1.00  0.00           C  
HETATM   34  C   UNL     1       2.516   2.017   0.308  1.00  0.00           C  
HETATM   35  C   UNL     1       1.697   3.267   0.636  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.566   4.113   0.814  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.029   3.799   0.493  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.359   2.576  -1.455  1.00  0.00           C  
HETATM   39  C   UNL     1       0.112   2.878  -1.153  1.00  0.00           C  
HETATM   40  C   UNL     1       4.602  -0.022  -0.522  1.00  0.00           C  
HETATM   41  C   UNL     1       3.315  -0.406  -1.136  1.00  0.00           C  
HETATM   42  C   UNL     1       2.301  -1.112  -0.499  1.00  0.00           C  
HETATM   43  C   UNL     1       1.107  -1.405  -1.190  1.00  0.00           C  
HETATM   44  C   UNL     1       0.957  -1.007  -2.526  1.00  0.00           C  
HETATM   45  C   UNL     1       1.959  -0.321  -3.146  1.00  0.00           C  
HETATM   46  C   UNL     1       3.125  -0.012  -2.470  1.00  0.00           C  
HETATM   47  F   UNL     1      -9.788   2.343   0.808  1.00  0.00           F  
HETATM   48  N   UNL     1       2.171  -1.639   0.769  1.00  0.00           N  
HETATM   49  N   UNL     1       0.287   3.032   0.298  1.00  0.00           N  
HETATM   50 CL   UNL     1       4.381   0.877  -3.273  1.00  0.00          Cl  
HETATM   51  H   UNL     1       0.748  -3.414   3.962  1.00  0.00           H  
HETATM   52  H   UNL     1       5.807  -4.133  -0.985  1.00  0.00           H  
HETATM   53  H   UNL     1       6.342  -3.169   0.412  1.00  0.00           H  
HETATM   54  H   UNL     1       4.635  -3.135  -0.092  1.00  0.00           H  
HETATM   55  H   UNL     1       6.994  -2.083  -1.720  1.00  0.00           H  
HETATM   56  H   UNL     1       5.287  -2.049  -2.224  1.00  0.00           H  
HETATM   57  H   UNL     1       8.184  -1.128   1.150  1.00  0.00           H  
HETATM   58  H   UNL     1       8.423  -1.076  -0.613  1.00  0.00           H  
HETATM   59  H   UNL     1       8.745   0.371   0.372  1.00  0.00           H  
HETATM   60  H   UNL     1       4.310   3.150   0.086  1.00  0.00           H  
HETATM   61  H   UNL     1       3.544   2.345   3.982  1.00  0.00           H  
HETATM   62  H   UNL     1       2.340   1.852   2.807  1.00  0.00           H  
HETATM   63  H   UNL     1       4.717   0.229   2.442  1.00  0.00           H  
HETATM   64  H   UNL     1       4.281   0.260   4.161  1.00  0.00           H  
HETATM   65  H   UNL     1       2.507  -1.084   3.809  1.00  0.00           H  
HETATM   66  H   UNL     1       1.885  -0.017   2.535  1.00  0.00           H  
HETATM   67  H   UNL     1       4.141  -1.286   1.395  1.00  0.00           H  
HETATM   68  H   UNL     1       3.290  -2.565   2.291  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.212  -2.856  -1.640  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.320  -3.499   0.017  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.065  -1.278   0.830  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.957  -0.635  -0.826  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.752  -2.932   0.079  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.645  -2.289  -1.577  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.416  -3.277  -1.119  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.776  -3.845  -1.495  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.543  -2.248  -0.989  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.221  -0.012  -0.163  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.233   2.735   1.130  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.464   1.143   0.610  1.00  0.00           H  
HETATM   81  H   UNL     1       2.429   1.795  -0.756  1.00  0.00           H  
HETATM   82  H   UNL     1       2.139   1.174   0.887  1.00  0.00           H  
HETATM   83  H   UNL     1       1.784   3.489   1.700  1.00  0.00           H  
HETATM   84  H   UNL     1       2.074   4.110   0.057  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.284   5.055   0.344  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.439   4.192   1.894  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.659   4.624   0.823  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.326   2.885   1.007  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.637   1.627  -0.998  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.505   2.518  -2.534  1.00  0.00           H  
HETATM   91  H   UNL     1       0.733   2.056  -1.510  1.00  0.00           H  
HETATM   92  H   UNL     1       0.404   3.801  -1.655  1.00  0.00           H  
HETATM   93  H   UNL     1       0.048  -1.234  -3.066  1.00  0.00           H  
HETATM   94  H   UNL     1       1.847  -0.024  -4.180  1.00  0.00           H  
CONECT    1   13   14                                                 
CONECT    2   19   51                                                 
CONECT    3   19   19                                                 
CONECT    4   24   23                                                 
CONECT    5   38   37                                                 
CONECT    6   10    7   11                                            
CONECT    7   12   12    6                                            
CONECT    8    9   52   53   54                                       
CONECT    9    8   10   55   56                                       
CONECT   10    9   40   40    6                                       
CONECT   11    6   57   58   59                                       
CONECT   12   40   13    7    7                                       
CONECT   13   12   34    1   60                                       
CONECT   14   15    1   61   62                                       
CONECT   15   16   14   63   64                                       
CONECT   16   17   15   65   66                                       
CONECT   17   48   16   67   68                                       
CONECT   18   20   20   19   48                                       
CONECT   19   18    3    3    2                                       
CONECT   20   21   43   18   18                                       
CONECT   21   22   20   69   70                                       
CONECT   22   23   21   71   72                                       
CONECT   23    4   22   73   74                                       
CONECT   24   28    4   25   25                                       
CONECT   25   24   24   26   75                                       
CONECT   26   27   27   25   76                                       
CONECT   27   29   26   26   77                                       
CONECT   28   33   33   29   24                                       
CONECT   29   30   30   28   27                                       
CONECT   30   31   29   29   78                                       
CONECT   31   47   32   32   30                                       
CONECT   32   31   31   33   79                                       
CONECT   33   32   28   28   80                                       
CONECT   34   35   13   81   82                                       
CONECT   35   49   34   83   84                                       
CONECT   36   49   37   85   86                                       
CONECT   37    5   36   87   88                                       
CONECT   38   39    5   89   90                                       
CONECT   39   38   49   91   92                                       
CONECT   40   41   10   10   12                                       
CONECT   41   46   46   42   40                                       
CONECT   42   43   43   41   48                                       
CONECT   43   44   20   42   42                                       
CONECT   44   45   45   43   93                                       
CONECT   45   44   44   46   94                                       
CONECT   46   45   50   41   41                                       
CONECT   47   31                                                      
CONECT   48   42   18   17                                            
CONECT   49   39   35   36                                            
CONECT   50   46                                                      
CONECT   51    2                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57   11                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   30                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   37                                                      
CONECT   89   38                                                      
CONECT   90   38                                                      
CONECT   91   39                                                      
CONECT   92   39                                                      
CONECT   93   44                                                      
CONECT   94   45                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
