COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.128   0.578   2.483  1.00  0.00           C  
HETATM    2  C   UNL     1       0.761   1.664   2.441  1.00  0.00           C  
HETATM    3  C   UNL     1       1.749   0.653   1.906  1.00  0.00           C  
HETATM    4  C   UNL     1       4.243   1.003   1.560  1.00  0.00           C  
HETATM    5  C   UNL     1       4.419   0.335   0.204  1.00  0.00           C  
HETATM    6  C   UNL     1       3.940   1.248  -0.941  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.526   1.607   1.611  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.546   2.335  -0.561  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.445   2.606   0.450  1.00  0.00           C  
HETATM   10  O   UNL     1       2.711   0.723  -1.492  1.00  0.00           O  
HETATM   11  C   UNL     1       2.049   1.442  -2.416  1.00  0.00           C  
HETATM   12  C   UNL     1       0.860   0.827  -3.098  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.399   0.859  -2.260  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.069   2.182  -1.999  1.00  0.00           C  
HETATM   15  O   UNL     1       1.389  -0.089   1.026  1.00  0.00           O  
HETATM   16  C   UNL     1       3.381  -0.786   3.130  1.00  0.00           C  
HETATM   17  O   UNL     1       5.884   0.203   0.083  1.00  0.00           O  
HETATM   18  O   UNL     1       0.856   2.526  -0.126  1.00  0.00           O  
HETATM   19  C   UNL     1       0.420   1.317   3.892  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.319   1.196  -0.173  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.333   3.427  -2.458  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.645   4.020   1.023  1.00  0.00           C  
HETATM   23  C   UNL     1       5.028   1.265  -2.019  1.00  0.00           C  
HETATM   24  C   UNL     1       3.811  -1.052   0.054  1.00  0.00           C  
HETATM   25  C   UNL     1       5.171  -0.134  -2.621  1.00  0.00           C  
HETATM   26  O   UNL     1       2.429   2.548  -2.713  1.00  0.00           O  
HETATM   27  C   UNL     1       0.670   1.355  -4.512  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.718   1.325  -0.438  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.260   2.376   0.364  1.00  0.00           O  
HETATM   30  C   UNL     1      -5.655   2.607   0.157  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.440   1.344   0.519  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.930   0.175  -0.329  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.424   0.010  -0.100  1.00  0.00           C  
HETATM   34  N   UNL     1      -6.625  -1.058   0.064  1.00  0.00           N  
HETATM   35  C   UNL     1      -6.686  -1.184   1.527  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.969  -1.116  -0.525  1.00  0.00           C  
HETATM   37  O   UNL     1      -3.925  -1.031  -0.942  1.00  0.00           O  
HETATM   38  C   UNL     1      -6.117   3.766   1.043  1.00  0.00           C  
HETATM   39  C   UNL     1       1.465   3.796  -0.364  1.00  0.00           C  
HETATM   40  N   UNL     1       5.553   0.783   2.224  1.00  0.00           N  
HETATM   41  C   UNL     1       6.430   0.388   1.291  1.00  0.00           C  
HETATM   42  O   UNL     1       7.613   0.225   1.517  1.00  0.00           O  
HETATM   43  O   UNL     1      -0.153   0.141  -1.014  1.00  0.00           O  
HETATM   44  C   UNL     1      -0.450  -1.172  -0.997  1.00  0.00           C  
HETATM   45  N   UNL     1      -0.459  -1.846   0.171  1.00  0.00           N  
HETATM   46  O   UNL     1      -0.709  -1.750  -2.034  1.00  0.00           O  
HETATM   47  C   UNL     1      -1.054  -3.172   0.390  1.00  0.00           C  
HETATM   48  C   UNL     1      -0.847  -3.527   1.878  1.00  0.00           C  
HETATM   49  C   UNL     1      -0.647  -2.139   2.542  1.00  0.00           C  
HETATM   50  C   UNL     1       0.133  -1.377   1.437  1.00  0.00           C  
HETATM   51  C   UNL     1      -0.370  -4.192  -0.484  1.00  0.00           C  
HETATM   52  C   UNL     1      -1.104  -5.199  -1.092  1.00  0.00           C  
HETATM   53  C   UNL     1      -0.433  -6.112  -1.892  1.00  0.00           C  
HETATM   54  C   UNL     1       0.933  -5.988  -2.055  1.00  0.00           C  
HETATM   55  N   UNL     1       1.599  -5.017  -1.461  1.00  0.00           N  
HETATM   56  C   UNL     1       0.994  -4.131  -0.693  1.00  0.00           C  
HETATM   57  C   UNL     1      -1.993  -1.470   2.829  1.00  0.00           C  
HETATM   58  C   UNL     1       0.188  -2.256   3.818  1.00  0.00           C  
HETATM   59  H   UNL     1       3.142   1.312   3.334  1.00  0.00           H  
HETATM   60  H   UNL     1       1.201   2.655   2.402  1.00  0.00           H  
HETATM   61  H   UNL     1       4.164   2.104   1.403  1.00  0.00           H  
HETATM   62  H   UNL     1       3.790   2.256  -0.560  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.657   0.600   1.225  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.377   1.859   2.243  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.235   3.202  -0.536  1.00  0.00           H  
HETATM   66  H   UNL     1       1.121  -0.260  -3.220  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.149   0.228  -2.806  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.016   2.165  -2.610  1.00  0.00           H  
HETATM   69  H   UNL     1       4.300  -0.746   3.715  1.00  0.00           H  
HETATM   70  H   UNL     1       2.545  -1.038   3.783  1.00  0.00           H  
HETATM   71  H   UNL     1       3.477  -1.544   2.353  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.007   0.315   3.936  1.00  0.00           H  
HETATM   73  H   UNL     1       1.326   1.353   4.497  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.303   2.036   4.278  1.00  0.00           H  
HETATM   75  H   UNL     1       0.738   3.293  -2.306  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.531   3.597  -3.517  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.677   4.286  -1.882  1.00  0.00           H  
HETATM   78  H   UNL     1       0.135   4.230   1.755  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.591   4.750   0.215  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.621   4.082   1.505  1.00  0.00           H  
HETATM   81  H   UNL     1       4.753   1.972  -2.802  1.00  0.00           H  
HETATM   82  H   UNL     1       5.976   1.568  -1.573  1.00  0.00           H  
HETATM   83  H   UNL     1       2.752  -1.014   0.311  1.00  0.00           H  
HETATM   84  H   UNL     1       3.923  -1.388  -0.977  1.00  0.00           H  
HETATM   85  H   UNL     1       4.322  -1.747   0.720  1.00  0.00           H  
HETATM   86  H   UNL     1       5.360  -0.854  -1.825  1.00  0.00           H  
HETATM   87  H   UNL     1       4.252  -0.400  -3.143  1.00  0.00           H  
HETATM   88  H   UNL     1       6.004  -0.143  -3.324  1.00  0.00           H  
HETATM   89  H   UNL     1       1.588   1.208  -5.082  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.147   0.818  -4.995  1.00  0.00           H  
HETATM   91  H   UNL     1       0.433   2.418  -4.474  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.868   1.558  -1.492  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.831   2.857  -0.889  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.297   1.116   1.576  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.499   1.503   0.320  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.118   0.380  -1.383  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.241  -0.246   0.943  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.223  -0.332   1.943  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.205  -2.105   1.791  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.674  -1.209   1.932  1.00  0.00           H  
HETATM  101  H   UNL     1      -8.547  -0.252  -0.198  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.890  -1.110  -1.612  1.00  0.00           H  
HETATM  103  H   UNL     1      -8.468  -2.030  -0.203  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.975  -1.191  -0.849  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.557   4.666   0.785  1.00  0.00           H  
HETATM  106  H   UNL     1      -7.181   3.943   0.885  1.00  0.00           H  
HETATM  107  H   UNL     1      -5.942   3.516   2.089  1.00  0.00           H  
HETATM  108  H   UNL     1       0.830   4.385  -1.026  1.00  0.00           H  
HETATM  109  H   UNL     1       1.590   4.323   0.582  1.00  0.00           H  
HETATM  110  H   UNL     1       2.439   3.651  -0.831  1.00  0.00           H  
HETATM  111  H   UNL     1       5.731   0.896   3.169  1.00  0.00           H  
HETATM  112  H   UNL     1      -2.119  -3.142   0.161  1.00  0.00           H  
HETATM  113  H   UNL     1      -1.728  -4.024   2.282  1.00  0.00           H  
HETATM  114  H   UNL     1       0.039  -4.149   2.006  1.00  0.00           H  
HETATM  115  H   UNL     1       1.193  -1.628   1.477  1.00  0.00           H  
HETATM  116  H   UNL     1      -0.008  -0.302   1.547  1.00  0.00           H  
HETATM  117  H   UNL     1      -2.171  -5.271  -0.946  1.00  0.00           H  
HETATM  118  H   UNL     1      -0.972  -6.910  -2.381  1.00  0.00           H  
HETATM  119  H   UNL     1       1.463  -6.695  -2.676  1.00  0.00           H  
HETATM  120  H   UNL     1       1.572  -3.347  -0.226  1.00  0.00           H  
HETATM  121  H   UNL     1      -2.574  -2.099   3.503  1.00  0.00           H  
HETATM  122  H   UNL     1      -1.823  -0.498   3.295  1.00  0.00           H  
HETATM  123  H   UNL     1      -2.539  -1.335   1.896  1.00  0.00           H  
HETATM  124  H   UNL     1       1.166  -2.672   3.576  1.00  0.00           H  
HETATM  125  H   UNL     1       0.313  -1.269   4.263  1.00  0.00           H  
HETATM  126  H   UNL     1      -0.320  -2.912   4.525  1.00  0.00           H  
CONECT    1    3   16    4   59                                       
CONECT    2   19    7    3   60                                       
CONECT    3    2   15   15    1                                       
CONECT    4    1   40    5   61                                       
CONECT    5    4   24   17    6                                       
CONECT    6    5   10   23   62                                       
CONECT    7    2    9   63   64                                       
CONECT    8   20    9   14   65                                       
CONECT    9   22    7    8   18                                       
CONECT   10   11    6                                                 
CONECT   11   12   10   26   26                                       
CONECT   12   13   11   27   66                                       
CONECT   13   14   43   12   67                                       
CONECT   14    8   21   13   68                                       
CONECT   15    3    3                                                 
CONECT   16    1   69   70   71                                       
CONECT   17    5   41                                                 
CONECT   18    9   39                                                 
CONECT   19    2   72   73   74                                       
CONECT   20   28    8                                                 
CONECT   21   14   75   76   77                                       
CONECT   22    9   78   79   80                                       
CONECT   23    6   25   81   82                                       
CONECT   24    5   83   84   85                                       
CONECT   25   23   86   87   88                                       
CONECT   26   11   11                                                 
CONECT   27   12   89   90   91                                       
CONECT   28   33   29   20   92                                       
CONECT   29   30   28                                                 
CONECT   30   31   38   29   93                                       
CONECT   31   32   30   94   95                                       
CONECT   32   34   31   33   96                                       
CONECT   33   32   37   28   97                                       
CONECT   34   36   35   32                                            
CONECT   35   34   98   99  100                                       
CONECT   36   34  101  102  103                                       
CONECT   37   33  104                                                 
CONECT   38   30  105  106  107                                       
CONECT   39   18  108  109  110                                       
CONECT   40    4   41  111                                            
CONECT   41   40   17   42   42                                       
CONECT   42   41   41                                                 
CONECT   43   44   13                                                 
CONECT   44   46   46   45   43                                       
CONECT   45   50   44   47                                            
CONECT   46   44   44                                                 
CONECT   47   45   51   48  112                                       
CONECT   48   49   47  113  114                                       
CONECT   49   50   58   48   57                                       
CONECT   50   45   49  115  116                                       
CONECT   51   52   52   56   47                                       
CONECT   52   53   51   51  117                                       
CONECT   53   54   54   52  118                                       
CONECT   54   53   53   55  119                                       
CONECT   55   54   56   56                                            
CONECT   56   55   55   51  120                                       
CONECT   57   49  121  122  123                                       
CONECT   58   49  124  125  126                                       
CONECT   59    1                                                      
CONECT   60    2                                                      
CONECT   61    4                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    7                                                      
CONECT   65    8                                                      
CONECT   66   12                                                      
CONECT   67   13                                                      
CONECT   68   14                                                      
CONECT   69   16                                                      
CONECT   70   16                                                      
CONECT   71   16                                                      
CONECT   72   19                                                      
CONECT   73   19                                                      
CONECT   74   19                                                      
CONECT   75   21                                                      
CONECT   76   21                                                      
CONECT   77   21                                                      
CONECT   78   22                                                      
CONECT   79   22                                                      
CONECT   80   22                                                      
CONECT   81   23                                                      
CONECT   82   23                                                      
CONECT   83   24                                                      
CONECT   84   24                                                      
CONECT   85   24                                                      
CONECT   86   25                                                      
CONECT   87   25                                                      
CONECT   88   25                                                      
CONECT   89   27                                                      
CONECT   90   27                                                      
CONECT   91   27                                                      
CONECT   92   28                                                      
CONECT   93   30                                                      
CONECT   94   31                                                      
CONECT   95   31                                                      
CONECT   96   32                                                      
CONECT   97   33                                                      
CONECT   98   35                                                      
CONECT   99   35                                                      
CONECT  100   35                                                      
CONECT  101   36                                                      
CONECT  102   36                                                      
CONECT  103   36                                                      
CONECT  104   37                                                      
CONECT  105   38                                                      
CONECT  106   38                                                      
CONECT  107   38                                                      
CONECT  108   39                                                      
CONECT  109   39                                                      
CONECT  110   39                                                      
CONECT  111   40                                                      
CONECT  112   47                                                      
CONECT  113   48                                                      
CONECT  114   48                                                      
CONECT  115   50                                                      
CONECT  116   50                                                      
CONECT  117   52                                                      
CONECT  118   53                                                      
CONECT  119   54                                                      
CONECT  120   56                                                      
CONECT  121   57                                                      
CONECT  122   57                                                      
CONECT  123   57                                                      
CONECT  124   58                                                      
CONECT  125   58                                                      
CONECT  126   58                                                      
MASTER        0    0    0    0    0    0    0    0  126    0  126    0
END
