COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.257   2.164   1.028  1.00  0.00           N  
HETATM    2  C   UNL     1       1.112   2.403  -0.139  1.00  0.00           C  
HETATM    3  C   UNL     1       2.183   1.345  -0.215  1.00  0.00           C  
HETATM    4  O   UNL     1       2.233   0.471   0.623  1.00  0.00           O  
HETATM    5  C   UNL     1       1.758   3.794   0.052  1.00  0.00           C  
HETATM    6  C   UNL     1       0.780   4.494   1.038  1.00  0.00           C  
HETATM    7  C   UNL     1       0.385   3.310   1.950  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.749  -1.929  -0.339  1.00  0.00           C  
HETATM    9  C   UNL     1       5.730  -1.952   1.035  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.572   0.923   0.928  1.00  0.00           C  
HETATM   11  C   UNL     1       4.717  -0.285  -0.243  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.501  -1.104  -0.158  1.00  0.00           C  
HETATM   13  C   UNL     1       5.082  -3.273   0.709  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.307   1.450  -1.407  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.545   1.179   2.381  1.00  0.00           C  
HETATM   16  C   UNL     1       5.247   1.249  -2.205  1.00  0.00           C  
HETATM   17  C   UNL     1       4.244   0.507  -1.356  1.00  0.00           C  
HETATM   18  C   UNL     1       8.197   0.352   0.266  1.00  0.00           C  
HETATM   19  C   UNL     1       3.082   2.289  -2.380  1.00  0.00           C  
HETATM   20  C   UNL     1       6.855  -1.313  -1.025  1.00  0.00           C  
HETATM   21  C   UNL     1       6.332   0.441  -2.770  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.221  -2.704   0.702  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.840   0.172   0.614  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.544   1.106   1.258  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.424  -1.906  -1.547  1.00  0.00           C  
HETATM   26  C   UNL     1       8.123  -1.105  -0.196  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.802   2.600   2.786  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.369  -3.457   0.538  1.00  0.00           C  
HETATM   29  C   UNL     1       4.330  -5.464   1.271  1.00  0.00           C  
HETATM   30  C   UNL     1       4.338   1.956  -3.230  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.945   3.563   2.598  1.00  0.00           C  
HETATM   32  C   UNL     1       6.986  -0.502  -2.240  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.080  -0.589   2.872  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.045  -3.435  -0.668  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.210   2.319  -2.244  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.006   0.389   3.592  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.570  -2.664  -1.712  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.696  -0.993   3.439  1.00  0.00           C  
HETATM   39  N   UNL     1       5.736  -1.103  -0.158  1.00  0.00           N  
HETATM   40  N   UNL     1      -5.719   1.017  -0.199  1.00  0.00           N  
HETATM   41  N   UNL     1       3.086   1.372  -1.216  1.00  0.00           N  
HETATM   42  N   UNL     1      -2.801   0.540   1.965  1.00  0.00           N  
HETATM   43  O   UNL     1       4.069  -0.171   0.776  1.00  0.00           O  
HETATM   44  O   UNL     1       4.965  -4.216   1.657  1.00  0.00           O  
HETATM   45  O   UNL     1       4.667  -3.483  -0.407  1.00  0.00           O  
HETATM   46  O   UNL     1      -3.244   1.871   0.247  1.00  0.00           O  
HETATM   47  O   UNL     1      -0.460   0.110   0.572  1.00  0.00           O  
HETATM   48  O   UNL     1      -4.209   1.142  -1.821  1.00  0.00           O  
HETATM   49 CL   UNL     1      -5.835  -0.926  -2.853  1.00  0.00          Cl  
HETATM   50  H   UNL     1       0.512   2.390  -1.048  1.00  0.00           H  
HETATM   51  H   UNL     1       2.751   3.702   0.493  1.00  0.00           H  
HETATM   52  H   UNL     1       1.806   4.331  -0.895  1.00  0.00           H  
HETATM   53  H   UNL     1       1.286   5.275   1.606  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.088   4.892   0.513  1.00  0.00           H  
HETATM   55  H   UNL     1       1.157   3.122   2.696  1.00  0.00           H  
HETATM   56  H   UNL     1       5.170  -1.459   1.829  1.00  0.00           H  
HETATM   57  H   UNL     1       6.755  -2.122   1.365  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.762  -1.680   0.399  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.095  -0.840  -1.135  1.00  0.00           H  
HETATM   60  H   UNL     1       5.693   2.028  -1.587  1.00  0.00           H  
HETATM   61  H   UNL     1       3.871  -0.244  -2.053  1.00  0.00           H  
HETATM   62  H   UNL     1       9.141   0.522   0.785  1.00  0.00           H  
HETATM   63  H   UNL     1       8.135   1.011  -0.600  1.00  0.00           H  
HETATM   64  H   UNL     1       7.369   0.562   0.942  1.00  0.00           H  
HETATM   65  H   UNL     1       3.129   3.322  -2.038  1.00  0.00           H  
HETATM   66  H   UNL     1       2.181   2.132  -2.973  1.00  0.00           H  
HETATM   67  H   UNL     1       6.839  -2.359  -1.331  1.00  0.00           H  
HETATM   68  H   UNL     1       6.612   0.686  -3.783  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.694  -2.722   1.645  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.347  -0.089   1.543  1.00  0.00           H  
HETATM   71  H   UNL     1       8.998  -1.338  -0.803  1.00  0.00           H  
HETATM   72  H   UNL     1       8.100  -1.761   0.675  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.745   2.838   3.255  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.741  -4.060   1.354  1.00  0.00           H  
HETATM   75  H   UNL     1       3.314  -5.264   0.930  1.00  0.00           H  
HETATM   76  H   UNL     1       4.899  -5.927   0.465  1.00  0.00           H  
HETATM   77  H   UNL     1       4.300  -6.136   2.128  1.00  0.00           H  
HETATM   78  H   UNL     1       4.807   2.867  -3.601  1.00  0.00           H  
HETATM   79  H   UNL     1       4.084   1.286  -4.051  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.196   4.564   2.916  1.00  0.00           H  
HETATM   81  H   UNL     1       7.852  -0.778  -2.823  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.520  -1.419   2.320  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.743  -0.276   3.678  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.941  -4.023  -0.795  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.027   3.367  -2.008  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.006   2.143  -3.300  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.251   2.074  -2.029  1.00  0.00           H  
HETATM   88  H   UNL     1       0.078   0.287   3.534  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.299   0.867   4.526  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.098  -2.646  -2.654  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.798  -1.488   4.405  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.154  -1.624   2.734  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.597   1.264   0.131  1.00  0.00           H  
CONECT    1    7   24    2                                            
CONECT    2    5    1    3   50                                       
CONECT    3    2   41    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    6    2   51   52                                       
CONECT    6    7    5   53   54                                       
CONECT    7   31    6    1   55                                       
CONECT    8   22   22   25   12                                       
CONECT    9   39   13   56   57                                       
CONECT   10   23   46   46   42                                       
CONECT   11   17   43   43   39                                       
CONECT   12    8   23   58   59                                       
CONECT   13    9   45   45   44                                       
CONECT   14   35   40   48   48                                       
CONECT   15   42   27   24   36                                       
CONECT   16   30   17   21   60                                       
CONECT   17   41   16   11   61                                       
CONECT   18   26   62   63   64                                       
CONECT   19   30   41   65   66                                       
CONECT   20   32   39   26   67                                       
CONECT   21   16   32   32   68                                       
CONECT   22   28    8    8   69                                       
CONECT   23   40   12   10   70                                       
CONECT   24   15    1   47   47                                       
CONECT   25   37   37    8   49                                       
CONECT   26   20   18   71   72                                       
CONECT   27   31   31   15   73                                       
CONECT   28   34   34   22   74                                       
CONECT   29   44   75   76   77                                       
CONECT   30   19   16   78   79                                       
CONECT   31   27   27    7   80                                       
CONECT   32   21   21   20   81                                       
CONECT   33   42   38   82   83                                       
CONECT   34   28   28   37   84                                       
CONECT   35   14   85   86   87                                       
CONECT   36   15   38   88   89                                       
CONECT   37   34   25   25   90                                       
CONECT   38   33   36   91   92                                       
CONECT   39   11   20    9                                            
CONECT   40   14   23   93                                            
CONECT   41   19    3   17                                            
CONECT   42   10   33   15                                            
CONECT   43   11   11                                                 
CONECT   44   13   29                                                 
CONECT   45   13   13                                                 
CONECT   46   10   10                                                 
CONECT   47   24   24                                                 
CONECT   48   14   14                                                 
CONECT   49   25                                                      
CONECT   50    2                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   38                                                      
CONECT   93   40                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
