COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       7.312   3.322   1.294  1.00  0.00           O  
HETATM    2  C   UNL     1       6.611   3.117   2.257  1.00  0.00           C  
HETATM    3  O   UNL     1       7.166   2.966   3.470  1.00  0.00           O  
HETATM    4  C   UNL     1       5.115   3.036   2.097  1.00  0.00           C  
HETATM    5  C   UNL     1       4.747   3.248   0.627  1.00  0.00           C  
HETATM    6  C   UNL     1       3.269   3.024   0.442  1.00  0.00           C  
HETATM    7  C   UNL     1       2.667   1.917  -0.005  1.00  0.00           C  
HETATM    8  C   UNL     1       3.446   0.707  -0.446  1.00  0.00           C  
HETATM    9  C   UNL     1       4.809   0.710   0.248  1.00  0.00           C  
HETATM   10  C   UNL     1       2.727  -0.566  -0.108  1.00  0.00           C  
HETATM   11  N   UNL     1       1.610  -0.633   0.483  1.00  0.00           N  
HETATM   12  C   UNL     1       3.272  -1.937  -0.437  1.00  0.00           C  
HETATM   13  C   UNL     1       4.607  -2.162   0.275  1.00  0.00           C  
HETATM   14  C   UNL     1       3.444  -2.090  -1.949  1.00  0.00           C  
HETATM   15  C   UNL     1       4.665  -1.289  -2.407  1.00  0.00           C  
HETATM   16  C   UNL     1       4.753  -1.324  -3.911  1.00  0.00           C  
HETATM   17  O   UNL     1       5.752  -0.684  -4.540  1.00  0.00           O  
HETATM   18  O   UNL     1       3.925  -1.927  -4.551  1.00  0.00           O  
HETATM   19  C   UNL     1       2.215  -2.929   0.083  1.00  0.00           C  
HETATM   20  C   UNL     1       2.805  -3.828   1.172  1.00  0.00           C  
HETATM   21  C   UNL     1       3.704  -4.859   0.540  1.00  0.00           C  
HETATM   22  O   UNL     1       3.832  -4.894  -0.661  1.00  0.00           O  
HETATM   23  O   UNL     1       4.363  -5.738   1.311  1.00  0.00           O  
HETATM   24  C   UNL     1       1.133  -2.005   0.667  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.182  -2.187  -0.095  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.939  -0.928  -0.053  1.00  0.00           N  
HETATM   27  C   UNL     1       0.094  -2.576  -1.546  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.061  -3.255   0.578  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.010  -4.571  -0.202  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.635  -3.471   2.032  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.576  -4.447   2.691  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.492  -4.921   2.062  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.395  -4.790   3.976  1.00  0.00           O  
HETATM   34  C   UNL     1       2.150   4.002   0.729  1.00  0.00           C  
HETATM   35  C   UNL     1       2.295   5.260  -0.129  1.00  0.00           C  
HETATM   36  C   UNL     1       2.113   4.362   2.216  1.00  0.00           C  
HETATM   37  C   UNL     1       0.906   3.218   0.333  1.00  0.00           C  
HETATM   38  N   UNL     1       1.335   2.037  -0.043  1.00  0.00           N  
HETATM   39  C   UNL     1      -0.395   3.727   0.346  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.520   2.970   0.273  1.00  0.00           C  
HETATM   41  N   UNL     1      -1.609   1.645   0.241  1.00  0.00           N  
HETATM   42  C   UNL     1      -2.927   3.550   0.239  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.239   4.142  -1.136  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.345   5.360  -1.381  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.652   5.944  -2.736  1.00  0.00           C  
HETATM   46  O   UNL     1      -3.498   5.438  -3.434  1.00  0.00           O  
HETATM   47  O   UNL     1      -1.984   7.026  -3.167  1.00  0.00           O  
HETATM   48  C   UNL     1      -3.802   2.311   0.513  1.00  0.00           C  
HETATM   49  C   UNL     1      -4.912   2.191  -0.533  1.00  0.00           C  
HETATM   50  C   UNL     1      -4.393   2.366   1.923  1.00  0.00           C  
HETATM   51  C   UNL     1      -5.292   3.569   2.044  1.00  0.00           C  
HETATM   52  O   UNL     1      -6.019   3.755   3.157  1.00  0.00           O  
HETATM   53  O   UNL     1      -5.360   4.367   1.139  1.00  0.00           O  
HETATM   54  C   UNL     1      -2.820   1.163   0.387  1.00  0.00           C  
HETATM   55  C   UNL     1      -3.170  -0.191   0.442  1.00  0.00           C  
HETATM   56  C   UNL     1      -4.612  -0.582   0.664  1.00  0.00           C  
HETATM   57  C   UNL     1      -5.315  -0.682  -0.665  1.00  0.00           C  
HETATM   58  C   UNL     1      -6.000  -1.758  -0.965  1.00  0.00           C  
HETATM   59  C   UNL     1      -2.236  -1.150   0.294  1.00  0.00           C  
HETATM   60  C   UNL     1      -2.471  -2.628   0.506  1.00  0.00           C  
HETATM   61  C   UNL     1      -3.253  -3.215  -0.671  1.00  0.00           C  
HETATM   62  C   UNL     1      -3.832  -4.574  -0.272  1.00  0.00           C  
HETATM   63  C   UNL     1      -4.728  -5.081  -1.373  1.00  0.00           C  
HETATM   64  O   UNL     1      -4.886  -4.424  -2.374  1.00  0.00           O  
HETATM   65  O   UNL     1      -5.349  -6.264  -1.241  1.00  0.00           O  
HETATM   66  H   UNL     1       8.129   3.030   3.524  1.00  0.00           H  
HETATM   67  H   UNL     1       4.767   2.056   2.421  1.00  0.00           H  
HETATM   68  H   UNL     1       4.643   3.808   2.704  1.00  0.00           H  
HETATM   69  H   UNL     1       5.000   4.266   0.332  1.00  0.00           H  
HETATM   70  H   UNL     1       5.302   2.542   0.009  1.00  0.00           H  
HETATM   71  H   UNL     1       3.597   0.755  -1.525  1.00  0.00           H  
HETATM   72  H   UNL     1       5.105  -0.314   0.473  1.00  0.00           H  
HETATM   73  H   UNL     1       5.550   1.166  -0.408  1.00  0.00           H  
HETATM   74  H   UNL     1       4.744   1.282   1.174  1.00  0.00           H  
HETATM   75  H   UNL     1       4.840  -3.226   0.282  1.00  0.00           H  
HETATM   76  H   UNL     1       5.394  -1.622  -0.251  1.00  0.00           H  
HETATM   77  H   UNL     1       4.539  -1.797   1.299  1.00  0.00           H  
HETATM   78  H   UNL     1       3.587  -3.142  -2.194  1.00  0.00           H  
HETATM   79  H   UNL     1       2.554  -1.717  -2.456  1.00  0.00           H  
HETATM   80  H   UNL     1       4.568  -0.256  -2.072  1.00  0.00           H  
HETATM   81  H   UNL     1       5.567  -1.727  -1.980  1.00  0.00           H  
HETATM   82  H   UNL     1       5.767  -0.735  -5.505  1.00  0.00           H  
HETATM   83  H   UNL     1       1.812  -3.528  -0.733  1.00  0.00           H  
HETATM   84  H   UNL     1       3.382  -3.221   1.870  1.00  0.00           H  
HETATM   85  H   UNL     1       1.998  -4.328   1.707  1.00  0.00           H  
HETATM   86  H   UNL     1       4.928  -6.380   0.860  1.00  0.00           H  
HETATM   87  H   UNL     1       0.989  -2.211   1.726  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.564  -0.055  -0.247  1.00  0.00           H  
HETATM   89  H   UNL     1       0.542  -3.569  -1.577  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.841  -2.581  -2.105  1.00  0.00           H  
HETATM   91  H   UNL     1       0.780  -1.854  -1.991  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.035  -4.674  -0.677  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.173  -5.405   0.481  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.788  -4.570  -0.966  1.00  0.00           H  
HETATM   95  H   UNL     1       0.379  -3.870   2.058  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.666  -2.521   2.565  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.024  -5.419   4.355  1.00  0.00           H  
HETATM   98  H   UNL     1       2.261   4.986  -1.184  1.00  0.00           H  
HETATM   99  H   UNL     1       1.480   5.948   0.094  1.00  0.00           H  
HETATM  100  H   UNL     1       3.248   5.741   0.090  1.00  0.00           H  
HETATM  101  H   UNL     1       3.061   4.818   2.503  1.00  0.00           H  
HETATM  102  H   UNL     1       1.301   5.066   2.399  1.00  0.00           H  
HETATM  103  H   UNL     1       1.951   3.460   2.805  1.00  0.00           H  
HETATM  104  H   UNL     1      -0.515   4.810   0.426  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.057   4.299   1.021  1.00  0.00           H  
HETATM  106  H   UNL     1      -3.051   3.393  -1.906  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.285   4.446  -1.173  1.00  0.00           H  
HETATM  108  H   UNL     1      -2.533   6.109  -0.612  1.00  0.00           H  
HETATM  109  H   UNL     1      -1.299   5.056  -1.345  1.00  0.00           H  
HETATM  110  H   UNL     1      -2.216   7.364  -4.043  1.00  0.00           H  
HETATM  111  H   UNL     1      -4.470   2.027  -1.515  1.00  0.00           H  
HETATM  112  H   UNL     1      -5.559   1.351  -0.281  1.00  0.00           H  
HETATM  113  H   UNL     1      -5.499   3.110  -0.547  1.00  0.00           H  
HETATM  114  H   UNL     1      -4.969   1.461   2.111  1.00  0.00           H  
HETATM  115  H   UNL     1      -3.586   2.441   2.652  1.00  0.00           H  
HETATM  116  H   UNL     1      -6.524   4.577   3.220  1.00  0.00           H  
HETATM  117  H   UNL     1      -4.653  -1.546   1.170  1.00  0.00           H  
HETATM  118  H   UNL     1      -5.103   0.173   1.279  1.00  0.00           H  
HETATM  119  H   UNL     1      -5.255   0.134  -1.371  1.00  0.00           H  
HETATM  120  H   UNL     1      -6.128  -2.538  -0.229  1.00  0.00           H  
HETATM  121  H   UNL     1      -6.435  -1.865  -1.948  1.00  0.00           H  
HETATM  122  H   UNL     1      -3.008  -2.796   1.440  1.00  0.00           H  
HETATM  123  H   UNL     1      -4.065  -2.539  -0.941  1.00  0.00           H  
HETATM  124  H   UNL     1      -3.020  -5.282  -0.109  1.00  0.00           H  
HETATM  125  H   UNL     1      -5.913  -6.547  -1.974  1.00  0.00           H  
HETATM  126  H   UNL     1      -2.586  -3.341  -1.524  1.00  0.00           H  
HETATM  127  H   UNL     1      -4.410  -4.467   0.646  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   66                                                 
CONECT    4    2    5   67   68                                       
CONECT    5    4    6   69   70                                       
CONECT    6    5    7    7   34                                       
CONECT    7    8    6    6   38                                       
CONECT    8    9   10    7   71                                       
CONECT    9    8   72   73   74                                       
CONECT   10   12    8   11   11                                       
CONECT   11   10   10   24                                            
CONECT   12   13   14   19   10                                       
CONECT   13   12   75   76   77                                       
CONECT   14   12   15   78   79                                       
CONECT   15   14   16   80   81                                       
CONECT   16   18   18   15   17                                       
CONECT   17   16   82                                                 
CONECT   18   16   16                                                 
CONECT   19   20   12   24   83                                       
CONECT   20   21   19   84   85                                       
CONECT   21   22   22   20   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   86                                                 
CONECT   24   19   11   25   87                                       
CONECT   25   24   28   26   27                                       
CONECT   26   25   59   88                                            
CONECT   27   25   89   90   91                                       
CONECT   28   30   25   29   60                                       
CONECT   29   28   92   93   94                                       
CONECT   30   31   28   95   96                                       
CONECT   31   32   32   30   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   97                                                 
CONECT   34    6   37   36   35                                       
CONECT   35   34   98   99  100                                       
CONECT   36   34  101  102  103                                       
CONECT   37   38   38   34   39                                       
CONECT   38    7   37   37                                            
CONECT   39   37   40   40  104                                       
CONECT   40   41   39   39   42                                       
CONECT   41   54   54   40                                            
CONECT   42   40   48   43  105                                       
CONECT   43   42   44  106  107                                       
CONECT   44   43   45  108  109                                       
CONECT   45   44   46   46   47                                       
CONECT   46   45   45                                                 
CONECT   47   45  110                                                 
CONECT   48   50   54   42   49                                       
CONECT   49   48  111  112  113                                       
CONECT   50   51   48  114  115                                       
CONECT   51   53   53   52   50                                       
CONECT   52   51  116                                                 
CONECT   53   51   51                                                 
CONECT   54   41   41   55   48                                       
CONECT   55   59   59   54   56                                       
CONECT   56   57   55  117  118                                       
CONECT   57   58   58   56  119                                       
CONECT   58   57   57  120  121                                       
CONECT   59   26   60   55   55                                       
CONECT   60   28   59   61  122                                       
CONECT   61   60   62  123  126                                       
CONECT   62   61   63  124  127                                       
CONECT   63   62   64   64   65                                       
CONECT   64   63   63                                                 
CONECT   65   63  125                                                 
CONECT   66    3                                                      
CONECT   67    4                                                      
CONECT   68    4                                                      
CONECT   69    5                                                      
CONECT   70    5                                                      
CONECT   71    8                                                      
CONECT   72    9                                                      
CONECT   73    9                                                      
CONECT   74    9                                                      
CONECT   75   13                                                      
CONECT   76   13                                                      
CONECT   77   13                                                      
CONECT   78   14                                                      
CONECT   79   14                                                      
CONECT   80   15                                                      
CONECT   81   15                                                      
CONECT   82   17                                                      
CONECT   83   19                                                      
CONECT   84   20                                                      
CONECT   85   20                                                      
CONECT   86   23                                                      
CONECT   87   24                                                      
CONECT   88   26                                                      
CONECT   89   27                                                      
CONECT   90   27                                                      
CONECT   91   27                                                      
CONECT   92   29                                                      
CONECT   93   29                                                      
CONECT   94   29                                                      
CONECT   95   30                                                      
CONECT   96   30                                                      
CONECT   97   33                                                      
CONECT   98   35                                                      
CONECT   99   35                                                      
CONECT  100   35                                                      
CONECT  101   36                                                      
CONECT  102   36                                                      
CONECT  103   36                                                      
CONECT  104   39                                                      
CONECT  105   42                                                      
CONECT  106   43                                                      
CONECT  107   43                                                      
CONECT  108   44                                                      
CONECT  109   44                                                      
CONECT  110   47                                                      
CONECT  111   49                                                      
CONECT  112   49                                                      
CONECT  113   49                                                      
CONECT  114   50                                                      
CONECT  115   50                                                      
CONECT  116   52                                                      
CONECT  117   56                                                      
CONECT  118   56                                                      
CONECT  119   57                                                      
CONECT  120   58                                                      
CONECT  121   58                                                      
CONECT  122   60                                                      
CONECT  123   61                                                      
CONECT  124   62                                                      
CONECT  125   65                                                      
CONECT  126   61                                                      
CONECT  127   62                                                      
MASTER        0    0    0    0    0    0    0    0  127    0  127    0
END
