COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.456  -0.849   0.894  1.00  0.00           C  
HETATM    2  C   UNL     1       3.758  -1.369   0.345  1.00  0.00           C  
HETATM    3  C   UNL     1       4.919  -0.734   1.126  1.00  0.00           C  
HETATM    4  C   UNL     1       6.236  -1.274   0.560  1.00  0.00           C  
HETATM    5  C   UNL     1       6.354  -0.855  -0.907  1.00  0.00           C  
HETATM    6  C   UNL     1       5.195  -1.464  -1.705  1.00  0.00           C  
HETATM    7  C   UNL     1       2.973  -0.418  -1.786  1.00  0.00           C  
HETATM    8  C   UNL     1       3.004  -0.352  -3.277  1.00  0.00           C  
HETATM    9  C   UNL     1       2.056   0.584  -3.995  1.00  0.00           C  
HETATM   10  C   UNL     1       2.708   1.077  -5.287  1.00  0.00           C  
HETATM   11  C   UNL     1       1.724   2.014  -6.004  1.00  0.00           C  
HETATM   12  C   UNL     1       0.410   1.251  -6.217  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.098   0.748  -4.863  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.398  -0.038  -5.085  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.127  -0.227  -3.768  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.244   0.755  -3.472  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.432  -0.006  -2.868  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.682   0.441  -1.449  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.551  -0.424  -0.475  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.791  -0.073   0.963  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.115  -1.093   1.851  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.655  -0.953   2.199  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.052  -2.344   2.388  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.755  -2.520   1.621  1.00  0.00           C  
HETATM   25  C   UNL     1       0.204  -1.337   1.751  1.00  0.00           C  
HETATM   26  C   UNL     1       0.539  -1.093   3.200  1.00  0.00           C  
HETATM   27  C   UNL     1       0.293   0.073   3.742  1.00  0.00           C  
HETATM   28  C   UNL     1       0.475   0.269   5.225  1.00  0.00           C  
HETATM   29  C   UNL     1       1.640   1.229   5.473  1.00  0.00           C  
HETATM   30  C   UNL     1       1.825   1.428   6.979  1.00  0.00           C  
HETATM   31  C   UNL     1       0.544   2.015   7.577  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.620   1.055   7.328  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.805   0.856   5.823  1.00  0.00           C  
HETATM   34  C   UNL     1       3.986   1.859  -4.962  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.733   1.516  -4.698  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.082   1.869  -1.188  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.295  -0.103   1.259  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.537   0.346   2.677  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.358   1.338   2.918  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.062  -2.749   0.135  1.00  0.00           C  
HETATM   41  C   UNL     1       1.158  -2.191   4.026  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.433   1.996  -8.217  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.096  -1.788  -6.416  1.00  0.00           C  
HETATM   44  C   UNL     1       3.493   1.955   8.463  1.00  0.00           C  
HETATM   45  N   UNL     1       3.926  -1.044  -1.079  1.00  0.00           N  
HETATM   46  O   UNL     1       1.424  -1.684   1.042  1.00  0.00           O  
HETATM   47  O   UNL     1       2.363   0.314   1.216  1.00  0.00           O  
HETATM   48  O   UNL     1       2.023   0.091  -1.220  1.00  0.00           O  
HETATM   49  O   UNL     1       3.752  -1.038  -3.921  1.00  0.00           O  
HETATM   50  O   UNL     1       0.857  -0.126  -4.278  1.00  0.00           O  
HETATM   51  O   UNL     1       1.777   1.706  -3.154  1.00  0.00           O  
HETATM   52  O   UNL     1      -0.561   2.122  -6.799  1.00  0.00           O  
HETATM   53  O   UNL     1      -1.027  -1.343  -5.579  1.00  0.00           O  
HETATM   54  O   UNL     1      -4.753  -2.024   2.282  1.00  0.00           O  
HETATM   55  O   UNL     1      -1.873  -2.623   3.775  1.00  0.00           O  
HETATM   56  O   UNL     1       2.913   2.325   7.211  1.00  0.00           O  
HETATM   57  O   UNL     1       0.717   2.200   8.983  1.00  0.00           O  
HETATM   58  H   UNL     1       3.798  -2.452   0.469  1.00  0.00           H  
HETATM   59  H   UNL     1       4.889   0.349   1.004  1.00  0.00           H  
HETATM   60  H   UNL     1       4.837  -0.992   2.178  1.00  0.00           H  
HETATM   61  H   UNL     1       7.071  -0.859   1.125  1.00  0.00           H  
HETATM   62  H   UNL     1       6.246  -2.360   0.633  1.00  0.00           H  
HETATM   63  H   UNL     1       6.307   0.233  -0.978  1.00  0.00           H  
HETATM   64  H   UNL     1       7.302  -1.205  -1.313  1.00  0.00           H  
HETATM   65  H   UNL     1       5.256  -1.106  -2.731  1.00  0.00           H  
HETATM   66  H   UNL     1       5.267  -2.551  -1.690  1.00  0.00           H  
HETATM   67  H   UNL     1       2.947   0.235  -5.933  1.00  0.00           H  
HETATM   68  H   UNL     1       2.133   2.311  -6.969  1.00  0.00           H  
HETATM   69  H   UNL     1       1.541   2.898  -5.394  1.00  0.00           H  
HETATM   70  H   UNL     1       0.582   0.401  -6.877  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.296   1.589  -4.207  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.975   0.429  -5.863  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.534  -1.250  -3.731  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.388  -0.165  -2.949  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.887   1.482  -2.731  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.321   0.183  -3.468  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.216  -1.073  -2.878  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.252  -1.439  -0.726  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.391   0.907   1.200  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.147  -0.424   1.396  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.564  -0.385   3.125  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.778  -3.079   1.997  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.240  -3.414   1.995  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.230  -0.443   1.315  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.040   0.895   3.125  1.00  0.00           H  
HETATM   86  H   UNL     1       0.688  -0.690   5.695  1.00  0.00           H  
HETATM   87  H   UNL     1       1.426   2.189   5.003  1.00  0.00           H  
HETATM   88  H   UNL     1       2.552   0.811   5.047  1.00  0.00           H  
HETATM   89  H   UNL     1       2.038   0.468   7.449  1.00  0.00           H  
HETATM   90  H   UNL     1       0.331   2.975   7.107  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.532   1.473   7.754  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.406   0.095   7.798  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.018   1.816   5.353  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.635   0.172   5.646  1.00  0.00           H  
HETATM   95  H   UNL     1       4.432   2.227  -5.886  1.00  0.00           H  
HETATM   96  H   UNL     1       3.741   2.702  -4.316  1.00  0.00           H  
HETATM   97  H   UNL     1       4.693   1.204  -4.453  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.531   2.199  -4.407  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.907   2.083  -5.127  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.111   0.809  -5.437  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.134   2.040  -0.112  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.344   2.539  -1.627  1.00  0.00           H  
HETATM  103  H   UNL     1      -6.058   2.060  -1.633  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.814   0.564   0.572  1.00  0.00           H  
HETATM  105  H   UNL     1      -6.671  -1.118   1.131  1.00  0.00           H  
HETATM  106  H   UNL     1      -6.034  -0.149   3.494  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.531   1.661   3.934  1.00  0.00           H  
HETATM  108  H   UNL     1      -7.861   1.834   2.101  1.00  0.00           H  
HETATM  109  H   UNL     1      -1.672  -3.645   0.023  1.00  0.00           H  
HETATM  110  H   UNL     1      -1.602  -1.890  -0.261  1.00  0.00           H  
HETATM  111  H   UNL     1      -0.128  -2.875  -0.413  1.00  0.00           H  
HETATM  112  H   UNL     1       1.403  -1.807   5.016  1.00  0.00           H  
HETATM  113  H   UNL     1       0.452  -3.016   4.121  1.00  0.00           H  
HETATM  114  H   UNL     1       2.066  -2.545   3.538  1.00  0.00           H  
HETATM  115  H   UNL     1      -1.158   2.645  -8.707  1.00  0.00           H  
HETATM  116  H   UNL     1       0.574   2.284  -8.517  1.00  0.00           H  
HETATM  117  H   UNL     1      -0.617   0.962  -8.508  1.00  0.00           H  
HETATM  118  H   UNL     1      -1.860  -2.774  -6.814  1.00  0.00           H  
HETATM  119  H   UNL     1      -3.016  -1.842  -5.833  1.00  0.00           H  
HETATM  120  H   UNL     1      -2.229  -1.086  -7.239  1.00  0.00           H  
HETATM  121  H   UNL     1       4.332   2.615   8.684  1.00  0.00           H  
HETATM  122  H   UNL     1       2.744   2.043   9.251  1.00  0.00           H  
HETATM  123  H   UNL     1       3.845   0.925   8.411  1.00  0.00           H  
HETATM  124  H   UNL     1       2.629   2.098  -2.919  1.00  0.00           H  
HETATM  125  H   UNL     1      -2.747  -2.577   4.185  1.00  0.00           H  
HETATM  126  H   UNL     1      -0.110   2.571   9.320  1.00  0.00           H  
CONECT    1    2   46   47   47                                       
CONECT    2    1    3   45   58                                       
CONECT    3    2    4   59   60                                       
CONECT    4    3    5   61   62                                       
CONECT    5    4    6   63   64                                       
CONECT    6    5   45   65   66                                       
CONECT    7    8   45   48   48                                       
CONECT    8    7    9   49   49                                       
CONECT    9    8   10   50   51                                       
CONECT   10    9   11   34   67                                       
CONECT   11   10   12   68   69                                       
CONECT   12   11   13   52   70                                       
CONECT   13   12   14   50   71                                       
CONECT   14   13   15   53   72                                       
CONECT   15   14   16   73   74                                       
CONECT   16   15   17   35   75                                       
CONECT   17   16   18   76   77                                       
CONECT   18   17   19   19   36                                       
CONECT   19   18   18   20   78                                       
CONECT   20   19   21   37   79                                       
CONECT   21   20   22   54   54                                       
CONECT   22   21   23   80   81                                       
CONECT   23   22   24   55   82                                       
CONECT   24   23   25   40   83                                       
CONECT   25   24   26   46   84                                       
CONECT   26   25   27   27   41                                       
CONECT   27   26   26   28   85                                       
CONECT   28   27   29   33   86                                       
CONECT   29   28   30   87   88                                       
CONECT   30   29   31   56   89                                       
CONECT   31   30   32   57   90                                       
CONECT   32   31   33   91   92                                       
CONECT   33   28   32   93   94                                       
CONECT   34   10   95   96   97                                       
CONECT   35   16   98   99  100                                       
CONECT   36   18  101  102  103                                       
CONECT   37   20   38  104  105                                       
CONECT   38   37   39   39  106                                       
CONECT   39   38   38  107  108                                       
CONECT   40   24  109  110  111                                       
CONECT   41   26  112  113  114                                       
CONECT   42   52  115  116  117                                       
CONECT   43   53  118  119  120                                       
CONECT   44   56  121  122  123                                       
CONECT   45    2    6    7                                            
CONECT   46    1   25                                                 
CONECT   47    1    1                                                 
CONECT   48    7    7                                                 
CONECT   49    8    8                                                 
CONECT   50    9   13                                                 
CONECT   51    9  124                                                 
CONECT   52   12   42                                                 
CONECT   53   14   43                                                 
CONECT   54   21   21                                                 
CONECT   55   23  125                                                 
CONECT   56   30   44                                                 
CONECT   57   31  126                                                 
CONECT   58    2                                                      
CONECT   59    3                                                      
CONECT   60    3                                                      
CONECT   61    4                                                      
CONECT   62    4                                                      
CONECT   63    5                                                      
CONECT   64    5                                                      
CONECT   65    6                                                      
CONECT   66    6                                                      
CONECT   67   10                                                      
CONECT   68   11                                                      
CONECT   69   11                                                      
CONECT   70   12                                                      
CONECT   71   13                                                      
CONECT   72   14                                                      
CONECT   73   15                                                      
CONECT   74   15                                                      
CONECT   75   16                                                      
CONECT   76   17                                                      
CONECT   77   17                                                      
CONECT   78   19                                                      
CONECT   79   20                                                      
CONECT   80   22                                                      
CONECT   81   22                                                      
CONECT   82   23                                                      
CONECT   83   24                                                      
CONECT   84   25                                                      
CONECT   85   27                                                      
CONECT   86   28                                                      
CONECT   87   29                                                      
CONECT   88   29                                                      
CONECT   89   30                                                      
CONECT   90   31                                                      
CONECT   91   32                                                      
CONECT   92   32                                                      
CONECT   93   33                                                      
CONECT   94   33                                                      
CONECT   95   34                                                      
CONECT   96   34                                                      
CONECT   97   34                                                      
CONECT   98   35                                                      
CONECT   99   35                                                      
CONECT  100   35                                                      
CONECT  101   36                                                      
CONECT  102   36                                                      
CONECT  103   36                                                      
CONECT  104   37                                                      
CONECT  105   37                                                      
CONECT  106   38                                                      
CONECT  107   39                                                      
CONECT  108   39                                                      
CONECT  109   40                                                      
CONECT  110   40                                                      
CONECT  111   40                                                      
CONECT  112   41                                                      
CONECT  113   41                                                      
CONECT  114   41                                                      
CONECT  115   42                                                      
CONECT  116   42                                                      
CONECT  117   42                                                      
CONECT  118   43                                                      
CONECT  119   43                                                      
CONECT  120   43                                                      
CONECT  121   44                                                      
CONECT  122   44                                                      
CONECT  123   44                                                      
CONECT  124   51                                                      
CONECT  125   55                                                      
CONECT  126   57                                                      
MASTER        0    0    0    0    0    0    0    0  126    0  126    0
END
