COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.856   5.972   0.330  1.00  0.00           N  
HETATM    2  C   UNL     1       2.930   4.963   0.168  1.00  0.00           C  
HETATM    3  C   UNL     1       2.335   3.579   0.200  1.00  0.00           C  
HETATM    4  O   UNL     1       1.865   3.144   1.230  1.00  0.00           O  
HETATM    5  C   UNL     1       3.922   5.124   1.322  1.00  0.00           C  
HETATM    6  C   UNL     1       5.348   5.203   0.770  1.00  0.00           C  
HETATM    7  C   UNL     1       5.679   2.835   0.939  1.00  0.00           C  
HETATM    8  C   UNL     1       6.353   1.611   1.417  1.00  0.00           C  
HETATM    9  C   UNL     1       5.792   0.428   1.135  1.00  0.00           C  
HETATM   10  C   UNL     1       6.382  -0.856   1.561  1.00  0.00           C  
HETATM   11  C   UNL     1       4.124  -1.735   1.449  1.00  0.00           C  
HETATM   12  C   UNL     1       3.488  -3.016   0.904  1.00  0.00           C  
HETATM   13  C   UNL     1       3.734  -4.168   1.865  1.00  0.00           C  
HETATM   14  C   UNL     1       5.089  -4.109   2.548  1.00  0.00           C  
HETATM   15  C   UNL     1       6.103  -3.295   1.744  1.00  0.00           C  
HETATM   16  C   UNL     1       4.084  -3.340  -0.468  1.00  0.00           C  
HETATM   17  C   UNL     1       3.380  -4.538  -1.051  1.00  0.00           C  
HETATM   18  C   UNL     1       3.912  -5.803  -0.883  1.00  0.00           C  
HETATM   19  C   UNL     1       3.266  -6.901  -1.418  1.00  0.00           C  
HETATM   20  C   UNL     1       2.087  -6.735  -2.122  1.00  0.00           C  
HETATM   21  C   UNL     1       1.556  -5.470  -2.290  1.00  0.00           C  
HETATM   22  C   UNL     1       2.199  -4.372  -1.751  1.00  0.00           C  
HETATM   23  C   UNL     1       2.002  -2.780   0.756  1.00  0.00           C  
HETATM   24  C   UNL     1       0.153  -1.441  -0.041  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.596  -2.482   0.793  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.077  -2.210   0.723  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.655  -1.314   1.605  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.010  -1.061   1.546  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.797  -1.709   0.595  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.253  -1.441   0.526  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.837  -0.533   1.411  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.184  -0.284   1.349  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.973  -0.940   0.397  1.00  0.00           C  
HETATM   34  C   UNL     1     -10.380  -0.680   0.330  1.00  0.00           C  
HETATM   35  C   UNL     1     -11.533  -0.468   0.275  1.00  0.00           C  
HETATM   36  C   UNL     1     -12.940  -0.208   0.209  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.385  -1.850  -0.490  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.037  -2.092  -0.427  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.209  -2.611  -0.291  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.852  -2.852  -0.226  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.087  -0.067   0.527  1.00  0.00           C  
HETATM   42  C   UNL     1       0.608   5.576  -0.054  1.00  0.00           C  
HETATM   43  C   UNL     1       0.403   4.198  -0.623  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.045   4.023  -1.006  1.00  0.00           C  
HETATM   45  C   UNL     1      -1.799   3.012  -0.437  1.00  0.00           C  
HETATM   46  C   UNL     1      -1.175   2.080   0.570  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.128   2.861  -0.792  1.00  0.00           C  
HETATM   48  C   UNL     1      -3.701   3.718  -1.714  1.00  0.00           C  
HETATM   49  C   UNL     1      -2.947   4.727  -2.282  1.00  0.00           C  
HETATM   50  C   UNL     1      -1.619   4.878  -1.927  1.00  0.00           C  
HETATM   51  C   UNL     1       1.672   1.512  -0.909  1.00  0.00           C  
HETATM   52  C   UNL     1       1.876   0.832  -2.264  1.00  0.00           C  
HETATM   53  C   UNL     1       3.583   0.036  -3.747  1.00  0.00           C  
HETATM   54  C   UNL     1       5.079  -0.278  -3.817  1.00  0.00           C  
HETATM   55  N   UNL     1       6.126   4.064   1.317  1.00  0.00           N  
HETATM   56  N   UNL     1       5.576  -1.938   1.579  1.00  0.00           N  
HETATM   57  N   UNL     1       1.595  -1.712   0.013  1.00  0.00           N  
HETATM   58  N   UNL     1      -1.030   0.740  -0.045  1.00  0.00           N  
HETATM   59  N   UNL     1       2.324   2.824  -0.917  1.00  0.00           N  
HETATM   60  N   UNL     1       5.403  -1.337  -2.853  1.00  0.00           N  
HETATM   61  O   UNL     1     -13.625  -0.779  -0.619  1.00  0.00           O  
HETATM   62  O   UNL     1     -13.506   0.669   1.064  1.00  0.00           O  
HETATM   63  O   UNL     1       0.550   0.320   1.484  1.00  0.00           O  
HETATM   64  O   UNL     1       1.197  -3.518   1.283  1.00  0.00           O  
HETATM   65  O   UNL     1       7.551  -0.936   1.885  1.00  0.00           O  
HETATM   66  O   UNL     1       4.717   2.744   0.202  1.00  0.00           O  
HETATM   67  O   UNL     1      -0.333   6.332   0.063  1.00  0.00           O  
HETATM   68  O   UNL     1       3.267   0.568  -2.459  1.00  0.00           O  
HETATM   69  H   UNL     1       2.029   6.856   0.690  1.00  0.00           H  
HETATM   70  H   UNL     1       3.441   5.121  -0.781  1.00  0.00           H  
HETATM   71  H   UNL     1       3.695   6.038   1.871  1.00  0.00           H  
HETATM   72  H   UNL     1       3.841   4.269   1.993  1.00  0.00           H  
HETATM   73  H   UNL     1       5.323   5.142  -0.319  1.00  0.00           H  
HETATM   74  H   UNL     1       5.808   6.143   1.074  1.00  0.00           H  
HETATM   75  H   UNL     1       7.268   1.672   1.981  1.00  0.00           H  
HETATM   76  H   UNL     1       4.867   0.407   0.561  1.00  0.00           H  
HETATM   77  H   UNL     1       3.931  -0.911   0.763  1.00  0.00           H  
HETATM   78  H   UNL     1       3.700  -1.505   2.426  1.00  0.00           H  
HETATM   79  H   UNL     1       2.957  -4.156   2.630  1.00  0.00           H  
HETATM   80  H   UNL     1       3.664  -5.105   1.312  1.00  0.00           H  
HETATM   81  H   UNL     1       4.971  -3.655   3.532  1.00  0.00           H  
HETATM   82  H   UNL     1       5.469  -5.123   2.670  1.00  0.00           H  
HETATM   83  H   UNL     1       7.051  -3.258   2.279  1.00  0.00           H  
HETATM   84  H   UNL     1       6.250  -3.754   0.767  1.00  0.00           H  
HETATM   85  H   UNL     1       3.957  -2.485  -1.131  1.00  0.00           H  
HETATM   86  H   UNL     1       5.147  -3.561  -0.359  1.00  0.00           H  
HETATM   87  H   UNL     1       4.832  -5.933  -0.333  1.00  0.00           H  
HETATM   88  H   UNL     1       3.681  -7.889  -1.287  1.00  0.00           H  
HETATM   89  H   UNL     1       1.583  -7.593  -2.541  1.00  0.00           H  
HETATM   90  H   UNL     1       0.635  -5.340  -2.840  1.00  0.00           H  
HETATM   91  H   UNL     1       1.781  -3.384  -1.878  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.189  -1.485  -1.075  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.391  -3.478   0.401  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.265  -2.424   1.830  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.045  -0.812   2.341  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.461  -0.362   2.235  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.228  -0.027   2.145  1.00  0.00           H  
HETATM   98  H   UNL     1      -8.635   0.418   2.034  1.00  0.00           H  
HETATM   99  H   UNL     1      -8.992  -2.357  -1.225  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.583  -2.791  -1.114  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.813  -3.116  -1.030  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.394  -3.547  -0.914  1.00  0.00           H  
HETATM  103  H   UNL     1       1.030   4.072  -1.506  1.00  0.00           H  
HETATM  104  H   UNL     1       0.674   3.452   0.124  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.194   2.458   0.858  1.00  0.00           H  
HETATM  106  H   UNL     1      -1.815   2.012   1.449  1.00  0.00           H  
HETATM  107  H   UNL     1      -3.717   2.071  -0.350  1.00  0.00           H  
HETATM  108  H   UNL     1      -4.739   3.600  -1.989  1.00  0.00           H  
HETATM  109  H   UNL     1      -3.393   5.396  -3.002  1.00  0.00           H  
HETATM  110  H   UNL     1      -1.030   5.667  -2.372  1.00  0.00           H  
HETATM  111  H   UNL     1       0.605   1.638  -0.723  1.00  0.00           H  
HETATM  112  H   UNL     1       2.107   0.895  -0.123  1.00  0.00           H  
HETATM  113  H   UNL     1       1.322  -0.106  -2.287  1.00  0.00           H  
HETATM  114  H   UNL     1       1.516   1.487  -3.057  1.00  0.00           H  
HETATM  115  H   UNL     1       3.328   0.766  -4.514  1.00  0.00           H  
HETATM  116  H   UNL     1       3.012  -0.878  -3.912  1.00  0.00           H  
HETATM  117  H   UNL     1       5.333  -0.611  -4.823  1.00  0.00           H  
HETATM  118  H   UNL     1       5.649   0.619  -3.576  1.00  0.00           H  
HETATM  119  H   UNL     1       6.894   4.186   1.898  1.00  0.00           H  
HETATM  120  H   UNL     1       2.225  -1.160  -0.475  1.00  0.00           H  
HETATM  121  H   UNL     1      -1.567   0.455  -0.801  1.00  0.00           H  
HETATM  122  H   UNL     1       2.749   3.149  -1.726  1.00  0.00           H  
HETATM  123  H   UNL     1       4.814  -2.145  -2.991  1.00  0.00           H  
HETATM  124  H   UNL     1       6.379  -1.588  -2.905  1.00  0.00           H  
HETATM  125  H   UNL     1     -14.459   0.778   0.942  1.00  0.00           H  
CONECT    1    2   42   69                                            
CONECT    2    3    5    1   70                                       
CONECT    3   59    4    4    2                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   71   72                                       
CONECT    6    5   55   73   74                                       
CONECT    7   55    8   66   66                                       
CONECT    8    7    9    9   75                                       
CONECT    9    8    8   10   76                                       
CONECT   10    9   65   65   56                                       
CONECT   11   56   12   77   78                                       
CONECT   12   11   23   16   13                                       
CONECT   13   14   12   79   80                                       
CONECT   14   15   13   81   82                                       
CONECT   15   56   14   83   84                                       
CONECT   16   12   17   85   86                                       
CONECT   17   16   22   22   18                                       
CONECT   18   17   19   19   87                                       
CONECT   19   18   18   20   88                                       
CONECT   20   21   21   19   89                                       
CONECT   21   22   20   20   90                                       
CONECT   22   17   17   21   91                                       
CONECT   23   64   64   12   57                                       
CONECT   24   41   57   25   92                                       
CONECT   25   24   26   93   94                                       
CONECT   26   25   40   40   27                                       
CONECT   27   26   28   28   95                                       
CONECT   28   27   27   29   96                                       
CONECT   29   39   39   28   30                                       
CONECT   30   29   38   38   31                                       
CONECT   31   30   32   32   97                                       
CONECT   32   31   31   33   98                                       
CONECT   33   37   37   32   34                                       
CONECT   34   33   35   35   35                                       
CONECT   35   34   34   34   36                                       
CONECT   36   35   61   61   62                                       
CONECT   37   38   33   33   99                                       
CONECT   38   30   30   37  100                                       
CONECT   39   40   29   29  101                                       
CONECT   40   26   26   39  102                                       
CONECT   41   58   63   63   24                                       
CONECT   42    1   67   67   43                                       
CONECT   43   42   44  103  104                                       
CONECT   44   43   50   50   45                                       
CONECT   45   44   46   47   47                                       
CONECT   46   45   58  105  106                                       
CONECT   47   45   45   48  107                                       
CONECT   48   49   49   47  108                                       
CONECT   49   50   48   48  109                                       
CONECT   50   44   44   49  110                                       
CONECT   51   52   59  111  112                                       
CONECT   52   68   51  113  114                                       
CONECT   53   54   68  115  116                                       
CONECT   54   60   53  117  118                                       
CONECT   55    6    7  119                                            
CONECT   56   10   15   11                                            
CONECT   57   23   24  120                                            
CONECT   58   46   41  121                                            
CONECT   59   51    3  122                                            
CONECT   60   54  123  124                                            
CONECT   61   36   36                                                 
CONECT   62   36  125                                                 
CONECT   63   41   41                                                 
CONECT   64   23   23                                                 
CONECT   65   10   10                                                 
CONECT   66    7    7                                                 
CONECT   67   42   42                                                 
CONECT   68   53   52                                                 
CONECT   69    1                                                      
CONECT   70    2                                                      
CONECT   71    5                                                      
CONECT   72    5                                                      
CONECT   73    6                                                      
CONECT   74    6                                                      
CONECT   75    8                                                      
CONECT   76    9                                                      
CONECT   77   11                                                      
CONECT   78   11                                                      
CONECT   79   13                                                      
CONECT   80   13                                                      
CONECT   81   14                                                      
CONECT   82   14                                                      
CONECT   83   15                                                      
CONECT   84   15                                                      
CONECT   85   16                                                      
CONECT   86   16                                                      
CONECT   87   18                                                      
CONECT   88   19                                                      
CONECT   89   20                                                      
CONECT   90   21                                                      
CONECT   91   22                                                      
CONECT   92   24                                                      
CONECT   93   25                                                      
CONECT   94   25                                                      
CONECT   95   27                                                      
CONECT   96   28                                                      
CONECT   97   31                                                      
CONECT   98   32                                                      
CONECT   99   37                                                      
CONECT  100   38                                                      
CONECT  101   39                                                      
CONECT  102   40                                                      
CONECT  103   43                                                      
CONECT  104   43                                                      
CONECT  105   46                                                      
CONECT  106   46                                                      
CONECT  107   47                                                      
CONECT  108   48                                                      
CONECT  109   49                                                      
CONECT  110   50                                                      
CONECT  111   51                                                      
CONECT  112   51                                                      
CONECT  113   52                                                      
CONECT  114   52                                                      
CONECT  115   53                                                      
CONECT  116   53                                                      
CONECT  117   54                                                      
CONECT  118   54                                                      
CONECT  119   55                                                      
CONECT  120   57                                                      
CONECT  121   58                                                      
CONECT  122   59                                                      
CONECT  123   60                                                      
CONECT  124   60                                                      
CONECT  125   62                                                      
MASTER        0    0    0    0    0    0    0    0  125    0  125    0
END
