COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.406  -3.777  -2.776  1.00  0.00           N  
HETATM    2  C   UNL     1       3.210  -2.697  -0.418  1.00  0.00           C  
HETATM    3  C   UNL     1       4.415  -1.794  -0.422  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.650  -5.560  -1.967  1.00  0.00           N  
HETATM    5  C   UNL     1       5.452  -2.325   0.570  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.780   0.706  -2.053  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.780  -3.834  -0.503  1.00  0.00           C  
HETATM    8  C   UNL     1       0.687  -3.806   0.422  1.00  0.00           C  
HETATM    9  C   UNL     1       1.985  -4.617   0.395  1.00  0.00           C  
HETATM   10  N   UNL     1       3.133  -3.697   0.503  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.405  -4.582  -0.319  1.00  0.00           C  
HETATM   12  O   UNL     1       2.316  -2.531  -1.221  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.730  -4.444   0.431  1.00  0.00           C  
HETATM   14  O   UNL     1       4.200   0.187  -2.169  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.665  -4.720  -1.810  1.00  0.00           C  
HETATM   16  N   UNL     1       8.808   1.223   3.328  1.00  0.00           N  
HETATM   17  N   UNL     1      -3.886  -4.777  -0.679  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.299  -2.556   0.104  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.375  -2.437   1.309  1.00  0.00           O  
HETATM   20  C   UNL     1       6.706  -1.495   0.478  1.00  0.00           C  
HETATM   21  C   UNL     1       6.855  -0.376   1.277  1.00  0.00           C  
HETATM   22  C   UNL     1       8.005   0.386   1.192  1.00  0.00           C  
HETATM   23  C   UNL     1       8.167   1.605   2.062  1.00  0.00           C  
HETATM   24  C   UNL     1       9.008   0.028   0.309  1.00  0.00           C  
HETATM   25  C   UNL     1       8.859  -1.090  -0.489  1.00  0.00           C  
HETATM   26  C   UNL     1       7.711  -1.855  -0.400  1.00  0.00           C  
HETATM   27  C   UNL     1       3.963   0.499  -1.021  1.00  0.00           C  
HETATM   28  C   UNL     1       3.608   1.922  -0.677  1.00  0.00           C  
HETATM   29  C   UNL     1       2.757   1.945   0.595  1.00  0.00           C  
HETATM   30  C   UNL     1       1.401   1.295   0.312  1.00  0.00           C  
HETATM   31  C   UNL     1       0.603   1.191   1.613  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.752   0.541   1.331  1.00  0.00           C  
HETATM   33  C   UNL     1       1.905   3.437  -1.441  1.00  0.00           C  
HETATM   34  C   UNL     1       1.074   4.092  -2.514  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.259   4.499  -1.941  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.392   5.725  -1.312  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.612   6.101  -0.783  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.700   5.254  -0.883  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.566   4.030  -1.510  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.754   3.108  -1.622  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.211   0.823  -0.989  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.175  -0.325  -0.018  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.584  -0.583   0.521  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.062   0.640   1.306  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.514   0.431   1.742  1.00  0.00           C  
HETATM   46  C   UNL     1      -7.992   1.654   2.526  1.00  0.00           C  
HETATM   47  C   UNL     1      -7.111   1.844   3.762  1.00  0.00           C  
HETATM   48  C   UNL     1      -5.659   2.053   3.327  1.00  0.00           C  
HETATM   49  C   UNL     1      -5.181   0.830   2.542  1.00  0.00           C  
HETATM   50  C   UNL     1      -1.344   3.651  -2.034  1.00  0.00           C  
HETATM   51  N   UNL     1       4.013  -0.431  -0.029  1.00  0.00           N  
HETATM   52  N   UNL     1      -1.518   0.441   2.580  1.00  0.00           N  
HETATM   53  N   UNL     1       2.842   2.510  -1.801  1.00  0.00           N  
HETATM   54  N   UNL     1      -3.600   1.996  -0.663  1.00  0.00           N  
HETATM   55  N   UNL     1      -3.682  -1.535  -0.715  1.00  0.00           N  
HETATM   56  O   UNL     1       1.743   3.728  -0.275  1.00  0.00           O  
HETATM   57  H   UNL     1      -4.956  -3.736  -3.574  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.676  -3.149  -2.658  1.00  0.00           H  
HETATM   59  H   UNL     1       4.848  -1.771  -1.422  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.833  -6.225  -1.285  1.00  0.00           H  
HETATM   61  H   UNL     1       5.050  -2.266   1.582  1.00  0.00           H  
HETATM   62  H   UNL     1       5.685  -3.363   0.332  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.326  -3.620  -1.471  1.00  0.00           H  
HETATM   64  H   UNL     1       0.380  -3.642   1.455  1.00  0.00           H  
HETATM   65  H   UNL     1       0.847  -2.845  -0.067  1.00  0.00           H  
HETATM   66  H   UNL     1       1.996  -5.314   1.232  1.00  0.00           H  
HETATM   67  H   UNL     1       2.049  -5.171  -0.542  1.00  0.00           H  
HETATM   68  H   UNL     1       3.802  -3.800   1.198  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.515  -4.182  -1.326  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.128  -5.634  -0.374  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.593  -3.795   1.297  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.065  -5.426   0.762  1.00  0.00           H  
HETATM   73  H   UNL     1       8.928   2.024   3.929  1.00  0.00           H  
HETATM   74  H   UNL     1       8.284   0.496   3.793  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.069  -5.443   0.003  1.00  0.00           H  
HETATM   76  H   UNL     1       6.072  -0.097   1.967  1.00  0.00           H  
HETATM   77  H   UNL     1       7.188   2.038   2.267  1.00  0.00           H  
HETATM   78  H   UNL     1       8.788   2.339   1.548  1.00  0.00           H  
HETATM   79  H   UNL     1       9.906   0.623   0.243  1.00  0.00           H  
HETATM   80  H   UNL     1       9.642  -1.369  -1.179  1.00  0.00           H  
HETATM   81  H   UNL     1       7.595  -2.729  -1.024  1.00  0.00           H  
HETATM   82  H   UNL     1       4.520   2.497  -0.515  1.00  0.00           H  
HETATM   83  H   UNL     1       3.267   1.392   1.383  1.00  0.00           H  
HETATM   84  H   UNL     1       2.605   2.976   0.913  1.00  0.00           H  
HETATM   85  H   UNL     1       0.849   1.903  -0.405  1.00  0.00           H  
HETATM   86  H   UNL     1       1.555   0.297  -0.101  1.00  0.00           H  
HETATM   87  H   UNL     1       1.155   0.583   2.330  1.00  0.00           H  
HETATM   88  H   UNL     1       0.449   2.188   2.026  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.304   1.149   0.614  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.598  -0.457   0.918  1.00  0.00           H  
HETATM   91  H   UNL     1       1.594   4.974  -2.888  1.00  0.00           H  
HETATM   92  H   UNL     1       0.918   3.389  -3.332  1.00  0.00           H  
HETATM   93  H   UNL     1       0.457   6.387  -1.234  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.716   7.057  -0.292  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.654   5.548  -0.470  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.666   3.661  -1.395  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.812   2.710  -2.635  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.507  -0.083   0.808  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.263  -0.769  -0.311  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.567  -1.453   1.179  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.996   1.526   0.674  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.142   0.296   0.861  1.00  0.00           H  
HETATM  103  H   UNL     1      -7.579  -0.454   2.374  1.00  0.00           H  
HETATM  104  H   UNL     1      -7.926   2.540   1.894  1.00  0.00           H  
HETATM  105  H   UNL     1      -9.026   1.505   2.836  1.00  0.00           H  
HETATM  106  H   UNL     1      -7.452   2.715   4.321  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.177   0.958   4.395  1.00  0.00           H  
HETATM  108  H   UNL     1      -5.594   2.938   2.695  1.00  0.00           H  
HETATM  109  H   UNL     1      -5.031   2.188   4.208  1.00  0.00           H  
HETATM  110  H   UNL     1      -5.247  -0.056   3.174  1.00  0.00           H  
HETATM  111  H   UNL     1      -4.147   0.979   2.232  1.00  0.00           H  
HETATM  112  H   UNL     1      -1.238   2.690  -2.517  1.00  0.00           H  
HETATM  113  H   UNL     1       3.795  -0.208   0.890  1.00  0.00           H  
HETATM  114  H   UNL     1      -2.418   0.014   2.420  1.00  0.00           H  
HETATM  115  H   UNL     1      -0.999  -0.064   3.283  1.00  0.00           H  
HETATM  116  H   UNL     1       2.996   2.256  -2.724  1.00  0.00           H  
HETATM  117  H   UNL     1      -3.090   2.096   0.156  1.00  0.00           H  
HETATM  118  H   UNL     1      -3.635  -1.596  -1.682  1.00  0.00           H  
CONECT    1   15   57   58                                            
CONECT    2    3   12   12   10                                       
CONECT    3    5   51    2   59                                       
CONECT    4   15   15   60                                            
CONECT    5   20    3   61   62                                       
CONECT    6   41   41                                                 
CONECT    7   18   17   13   63                                       
CONECT    8   11    9   64   65                                       
CONECT    9   10    8   66   67                                       
CONECT   10    2    9   68                                            
CONECT   11   13    8   69   70                                       
CONECT   12    2    2                                                 
CONECT   13    7   11   71   72                                       
CONECT   14   27   27                                                 
CONECT   15    4    4    1   17                                       
CONECT   16   23   73   74                                            
CONECT   17   15    7   75                                            
CONECT   18   19   19   55    7                                       
CONECT   19   18   18                                                 
CONECT   20   26   26   21    5                                       
CONECT   21   22   22   20   76                                       
CONECT   22   24   23   21   21                                       
CONECT   23   22   16   77   78                                       
CONECT   24   25   25   22   79                                       
CONECT   25   24   24   26   80                                       
CONECT   26   25   20   20   81                                       
CONECT   27   28   51   14   14                                       
CONECT   28   53   29   27   82                                       
CONECT   29   30   28   83   84                                       
CONECT   30   31   29   85   86                                       
CONECT   31   32   30   87   88                                       
CONECT   32   52   31   89   90                                       
CONECT   33   34   53   56   56                                       
CONECT   34   35   33   91   92                                       
CONECT   35   36   34   50   50                                       
CONECT   36   37   37   35   93                                       
CONECT   37   36   36   38   94                                       
CONECT   38   37   39   39   95                                       
CONECT   39   38   38   50   40                                       
CONECT   40   39   54   96   97                                       
CONECT   41    6    6   54   42                                       
CONECT   42   41   55   43   98                                       
CONECT   43   42   44   99  100                                       
CONECT   44   43   45   49  101                                       
CONECT   45   44   46  102  103                                       
CONECT   46   45   47  104  105                                       
CONECT   47   46   48  106  107                                       
CONECT   48   49   47  108  109                                       
CONECT   49   44   48  110  111                                       
CONECT   50   35   35   39  112                                       
CONECT   51    3   27  113                                            
CONECT   52   32  114  115                                            
CONECT   53   33   28  116                                            
CONECT   54   40   41  117                                            
CONECT   55   42   18  118                                            
CONECT   56   33   33                                                 
CONECT   57    1                                                      
CONECT   58    1                                                      
CONECT   59    3                                                      
CONECT   60    4                                                      
CONECT   61    5                                                      
CONECT   62    5                                                      
CONECT   63    7                                                      
CONECT   64    8                                                      
CONECT   65    8                                                      
CONECT   66    9                                                      
CONECT   67    9                                                      
CONECT   68   10                                                      
CONECT   69   11                                                      
CONECT   70   11                                                      
CONECT   71   13                                                      
CONECT   72   13                                                      
CONECT   73   16                                                      
CONECT   74   16                                                      
CONECT   75   17                                                      
CONECT   76   21                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   25                                                      
CONECT   81   26                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   30                                                      
CONECT   87   31                                                      
CONECT   88   31                                                      
CONECT   89   32                                                      
CONECT   90   32                                                      
CONECT   91   34                                                      
CONECT   92   34                                                      
CONECT   93   36                                                      
CONECT   94   37                                                      
CONECT   95   38                                                      
CONECT   96   40                                                      
CONECT   97   40                                                      
CONECT   98   42                                                      
CONECT   99   43                                                      
CONECT  100   43                                                      
CONECT  101   44                                                      
CONECT  102   45                                                      
CONECT  103   45                                                      
CONECT  104   46                                                      
CONECT  105   46                                                      
CONECT  106   47                                                      
CONECT  107   47                                                      
CONECT  108   48                                                      
CONECT  109   48                                                      
CONECT  110   49                                                      
CONECT  111   49                                                      
CONECT  112   50                                                      
CONECT  113   51                                                      
CONECT  114   52                                                      
CONECT  115   52                                                      
CONECT  116   53                                                      
CONECT  117   54                                                      
CONECT  118   55                                                      
MASTER        0    0    0    0    0    0    0    0  118    0  118    0
END
