COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  CA  UNL     1       3.210   2.918  -1.867  1.00  0.00           C  
HETATM    2  N   UNL     1       0.970  -3.362   0.353  1.00  0.00           N  
HETATM    3  C   UNL     1       4.958   4.365  -0.964  1.00  0.00           C  
HETATM    4  C   UNL     1       4.166   3.662   0.170  1.00  0.00           C  
HETATM    5  N   UNL     1       3.284  -0.686   1.458  1.00  0.00           N  
HETATM    6  C   UNL     1       4.093   4.123  -2.217  1.00  0.00           C  
HETATM    7  C   UNL     1       3.524   1.770  -2.791  1.00  0.00           C  
HETATM    8  OXT UNL     1       3.336   1.902  -4.113  1.00  0.00           O  
HETATM    9  N   UNL     1       3.499   2.529  -0.470  1.00  0.00           N  
HETATM   10  C   UNL     1       5.497   2.257   1.783  1.00  0.00           C  
HETATM   11  C   UNL     1       5.079   0.875   1.520  1.00  0.00           C  
HETATM   12  C   UNL     1       3.404  -3.510   0.392  1.00  0.00           C  
HETATM   13  CA  UNL     1       2.177  -2.859   1.044  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.481  -2.001  -0.229  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.744  -1.237   0.850  1.00  0.00           C  
HETATM   16  C   UNL     1       5.115   3.340   1.261  1.00  0.00           C  
HETATM   17  O   UNL     1       3.946   0.731  -2.342  1.00  0.00           O  
HETATM   18  N   UNL     1      -4.267   0.105   2.180  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.416   1.021   0.078  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.580   1.967  -0.069  1.00  0.00           C  
HETATM   21  CA  UNL     1      -3.874  -0.241   0.812  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.373  -2.075   1.455  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.715   3.036   0.796  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.716   3.703  -0.338  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.579   2.637  -1.208  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.783   3.904   0.661  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.510   1.768  -1.074  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.071  -1.352   1.853  1.00  0.00           O  
HETATM   29  CA  UNL     1       3.580   0.732   1.282  1.00  0.00           C  
HETATM   30  C   UNL     1       4.315  -1.249   2.358  1.00  0.00           C  
HETATM   31  C   UNL     1       2.258  -1.361   0.902  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.238   0.877   2.639  1.00  0.00           O  
HETATM   33  C   UNL     1       2.840  -4.364  -0.761  1.00  0.00           C  
HETATM   34  C   UNL     1       1.354  -4.574  -0.369  1.00  0.00           C  
HETATM   35  C   UNL     1       3.095   1.375   0.063  1.00  0.00           C  
HETATM   36  C   UNL     1       5.307  -0.105   2.688  1.00  0.00           C  
HETATM   37  O   UNL     1       1.401  -0.762   0.288  1.00  0.00           O  
HETATM   38  C   UNL     1      -2.518  -2.995  -2.455  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.224  -1.992  -1.508  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.236  -2.811   0.501  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.370   0.662   3.018  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.774   1.018   4.425  1.00  0.00           C  
HETATM   43  O   UNL     1       2.218   0.788  -0.536  1.00  0.00           O  
HETATM   44  CA  UNL     1      -1.412  -2.988  -0.348  1.00  0.00           C  
HETATM   45  C   UNL     1      -1.108  -3.091  -1.838  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.356  -4.299  -2.198  1.00  0.00           C  
HETATM   47  C   UNL     1       0.591  -4.880  -1.600  1.00  0.00           C  
HETATM   48 CL   UNL     1      -5.337   0.430  -2.166  1.00  0.00          Cl  
HETATM   49  HA  UNL     1       2.159   3.191  -1.963  1.00  0.00           H  
HETATM   50  H   UNL     1       5.050   5.432  -0.762  1.00  0.00           H  
HETATM   51  H   UNL     1       5.942   3.911  -1.082  1.00  0.00           H  
HETATM   52  H   UNL     1       3.404   4.344   0.548  1.00  0.00           H  
HETATM   53  H   UNL     1       4.726   3.893  -3.075  1.00  0.00           H  
HETATM   54  H   UNL     1       3.476   4.997  -2.425  1.00  0.00           H  
HETATM   55  HXT UNL     1       3.551   1.139  -4.666  1.00  0.00           H  
HETATM   56  H   UNL     1       6.254   2.364   2.546  1.00  0.00           H  
HETATM   57  H   UNL     1       5.602   0.506   0.638  1.00  0.00           H  
HETATM   58  H   UNL     1       4.076  -2.745   0.002  1.00  0.00           H  
HETATM   59  H   UNL     1       3.926  -4.140   1.112  1.00  0.00           H  
HETATM   60  HA  UNL     1       2.135  -3.127   2.100  1.00  0.00           H  
HETATM   61  H   UNL     1       5.574   4.214   1.701  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.172  -0.067   2.482  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.040   0.751  -0.910  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.624   1.505   0.648  1.00  0.00           H  
HETATM   65  HA  UNL     1      -4.725  -0.677   0.288  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.987   3.193   1.578  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.550   4.381  -0.443  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.305   2.482  -1.992  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.888   4.739   1.338  1.00  0.00           H  
HETATM   70  HA  UNL     1       3.092   1.250   2.108  1.00  0.00           H  
HETATM   71  H   UNL     1       3.849  -1.612   3.274  1.00  0.00           H  
HETATM   72  H   UNL     1       4.839  -2.063   1.857  1.00  0.00           H  
HETATM   73  H   UNL     1       2.914  -3.827  -1.707  1.00  0.00           H  
HETATM   74  H   UNL     1       3.359  -5.320  -0.819  1.00  0.00           H  
HETATM   75  H   UNL     1       1.281  -5.428   0.304  1.00  0.00           H  
HETATM   76  H   UNL     1       6.334  -0.472   2.691  1.00  0.00           H  
HETATM   77  H   UNL     1       5.058   0.362   3.641  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.017  -3.964  -2.435  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.474  -2.604  -3.471  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.255  -2.303  -1.340  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.202  -0.992  -1.942  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.923   1.454   4.948  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.592   1.739   4.397  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.101   0.119   4.948  1.00  0.00           H  
HETATM   85  HA  UNL     1      -1.860  -3.940  -0.064  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.527  -2.220  -2.143  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.664  -4.766  -3.122  1.00  0.00           H  
HETATM   88  H   UNL     1       0.914  -5.787  -2.089  1.00  0.00           H  
CONECT    1    7    9    6   49                                       
CONECT    2   34   13   40                                            
CONECT    3    6    4   50   51                                       
CONECT    4    9    3   16   52                                       
CONECT    5   31   30   29                                            
CONECT    6    1    3   53   54                                       
CONECT    7   17   17    1    8                                       
CONECT    8    7   55                                                 
CONECT    9    1   35    4                                            
CONECT   10   11   16   16   56                                       
CONECT   11   29   36   10   57                                       
CONECT   12   33   13   58   59                                       
CONECT   13   12    2   31   60                                       
CONECT   14   44   15   39                                            
CONECT   15   28   28   14   21                                       
CONECT   16    4   10   10   61                                       
CONECT   17    7    7                                                 
CONECT   18   41   21   62                                            
CONECT   19   21   20   63   64                                       
CONECT   20   19   23   23   27                                       
CONECT   21   15   18   19   65                                       
CONECT   22   40   40                                                 
CONECT   23   20   20   26   66                                       
CONECT   24   26   26   25   67                                       
CONECT   25   27   27   24   68                                       
CONECT   26   23   24   24   69                                       
CONECT   27   20   48   25   25                                       
CONECT   28   15   15                                                 
CONECT   29   35    5   11   70                                       
CONECT   30    5   36   71   72                                       
CONECT   31   13   37   37    5                                       
CONECT   32   41   41                                                 
CONECT   33   34   12   73   74                                       
CONECT   34   33   47    2   75                                       
CONECT   35   43   43    9   29                                       
CONECT   36   30   11   76   77                                       
CONECT   37   31   31                                                 
CONECT   38   45   39   78   79                                       
CONECT   39   38   14   80   81                                       
CONECT   40    2   44   22   22                                       
CONECT   41   32   32   42   18                                       
CONECT   42   41   82   83   84                                       
CONECT   43   35   35                                                 
CONECT   44   45   40   14   85                                       
CONECT   45   46   44   38   86                                       
CONECT   46   47   47   45   87                                       
CONECT   47   34   46   46   88                                       
CONECT   48   27                                                      
CONECT   49    1                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    8                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   16                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   21                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   33                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   39                                                      
CONECT   82   42                                                      
CONECT   83   42                                                      
CONECT   84   42                                                      
CONECT   85   44                                                      
CONECT   86   45                                                      
CONECT   87   46                                                      
CONECT   88   47                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
