COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.082  -1.054  -4.539  1.00  0.00           C  
HETATM    2  C   UNL     1       1.111  -1.233  -5.229  1.00  0.00           C  
HETATM    3  C   UNL     1       2.289  -1.456  -4.548  1.00  0.00           C  
HETATM    4  C   UNL     1       2.304  -1.520  -3.156  1.00  0.00           C  
HETATM    5  C   UNL     1       1.121  -1.373  -0.970  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.002  -0.617   1.130  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.994   0.121   3.286  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.128   1.013   3.784  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.458   0.413   3.311  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.552   0.590   1.797  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.374  -0.175  -0.244  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.332  -0.909  -2.386  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.621   1.140   3.988  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.743  -0.176   1.281  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.094  -0.325   0.725  1.00  0.00           C  
HETATM   16  C   UNL     1       1.126  -1.322  -2.444  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.058  -0.859  -0.240  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.129  -0.130   1.806  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.304   0.079   1.123  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.265  -0.641  -0.933  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.078  -1.097  -3.139  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.255  -0.850  -5.177  1.00  0.00           O  
HETATM   23  O   UNL     1       3.468  -1.740  -2.495  1.00  0.00           O  
HETATM   24  O   UNL     1       2.074  -1.826  -0.366  1.00  0.00           O  
HETATM   25  O   UNL     1       1.146  -0.854   1.811  1.00  0.00           O  
HETATM   26  O   UNL     1       0.256   0.761   3.542  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.502  -0.976   3.638  1.00  0.00           O  
HETATM   28  O   UNL     1      -5.947   0.413   1.222  1.00  0.00           O  
HETATM   29  O   UNL     1      -4.613  -1.322   0.921  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.406  -0.973  -2.952  1.00  0.00           O  
HETATM   31  C   UNL     1       0.769   0.198   4.751  1.00  0.00           C  
HETATM   32  C   UNL     1       2.153   0.785   5.038  1.00  0.00           C  
HETATM   33  C   UNL     1       2.710   0.151   6.320  1.00  0.00           C  
HETATM   34  C   UNL     1       1.679   0.328   7.440  1.00  0.00           C  
HETATM   35  C   UNL     1       0.331  -0.224   6.972  1.00  0.00           C  
HETATM   36  C   UNL     1       0.486  -1.702   6.607  1.00  0.00           C  
HETATM   37  C   UNL     1       1.192   1.797   9.134  1.00  0.00           C  
HETATM   38  C   UNL     1       3.441  -1.773   7.333  1.00  0.00           C  
HETATM   39  C   UNL     1       4.018   0.844   6.708  1.00  0.00           C  
HETATM   40  C   UNL     1       2.907   1.594   3.028  1.00  0.00           C  
HETATM   41  O   UNL     1      -0.116   0.500   5.828  1.00  0.00           O  
HETATM   42  O   UNL     1       3.028   0.504   3.944  1.00  0.00           O  
HETATM   43  O   UNL     1       2.948  -1.240   6.102  1.00  0.00           O  
HETATM   44  O   UNL     1       1.545   1.716   7.751  1.00  0.00           O  
HETATM   45  C   UNL     1      -1.053  -0.490  -6.520  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.722   0.974  -6.724  1.00  0.00           C  
HETATM   47  C   UNL     1       0.732   1.265  -6.391  1.00  0.00           C  
HETATM   48  C   UNL     1       1.608   0.250  -7.140  1.00  0.00           C  
HETATM   49  C   UNL     1       1.139  -1.155  -6.733  1.00  0.00           C  
HETATM   50  C   UNL     1       2.082  -2.214  -7.307  1.00  0.00           C  
HETATM   51  C   UNL     1       2.162   3.082  -5.934  1.00  0.00           C  
HETATM   52  C   UNL     1      -0.087   3.471  -6.522  1.00  0.00           C  
HETATM   53  N   UNL     1       1.079   2.627  -6.816  1.00  0.00           N  
HETATM   54  O   UNL     1      -0.185  -1.356  -7.224  1.00  0.00           O  
HETATM   55  O   UNL     1      -1.564   1.759  -5.877  1.00  0.00           O  
HETATM   56  O   UNL     1       2.978   0.429  -6.777  1.00  0.00           O  
HETATM   57  O   UNL     1       1.736   2.996  -4.573  1.00  0.00           O  
HETATM   58  H   UNL     1       3.209  -1.583  -5.099  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.026  -0.830   3.816  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.111   1.054   4.874  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.012   2.017   3.376  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.678   1.647   1.566  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.301  -0.009  -0.772  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.540   1.028   5.069  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.590   2.198   3.728  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.564   0.711   3.649  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.977   0.313   0.751  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.905  -0.641  -0.300  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.261  -1.201   1.351  1.00  0.00           H  
HETATM   70  H   UNL     1       3.857  -0.872  -2.319  1.00  0.00           H  
HETATM   71  H   UNL     1       1.640  -0.023   1.825  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.422  -1.040   4.600  1.00  0.00           H  
HETATM   73  H   UNL     1       0.850  -0.883   4.641  1.00  0.00           H  
HETATM   74  H   UNL     1       2.070   1.864   5.171  1.00  0.00           H  
HETATM   75  H   UNL     1       2.007  -0.214   8.327  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.399  -0.124   7.774  1.00  0.00           H  
HETATM   77  H   UNL     1       0.819  -2.259   7.482  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.471  -2.095   6.269  1.00  0.00           H  
HETATM   79  H   UNL     1       1.223  -1.804   5.810  1.00  0.00           H  
HETATM   80  H   UNL     1       1.078   2.843   9.419  1.00  0.00           H  
HETATM   81  H   UNL     1       0.253   1.270   9.301  1.00  0.00           H  
HETATM   82  H   UNL     1       1.977   1.340   9.736  1.00  0.00           H  
HETATM   83  H   UNL     1       3.715  -2.818   7.192  1.00  0.00           H  
HETATM   84  H   UNL     1       4.316  -1.206   7.649  1.00  0.00           H  
HETATM   85  H   UNL     1       2.666  -1.700   8.096  1.00  0.00           H  
HETATM   86  H   UNL     1       4.749   0.713   5.911  1.00  0.00           H  
HETATM   87  H   UNL     1       3.834   1.907   6.862  1.00  0.00           H  
HETATM   88  H   UNL     1       4.402   0.405   7.629  1.00  0.00           H  
HETATM   89  H   UNL     1       3.560   1.423   2.172  1.00  0.00           H  
HETATM   90  H   UNL     1       1.875   1.671   2.688  1.00  0.00           H  
HETATM   91  H   UNL     1       3.196   2.520   3.526  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.025  -0.625  -6.994  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.912   1.239  -7.764  1.00  0.00           H  
HETATM   94  H   UNL     1       0.890   1.164  -5.317  1.00  0.00           H  
HETATM   95  H   UNL     1       1.490   0.383  -8.216  1.00  0.00           H  
HETATM   96  H   UNL     1       1.739  -3.205  -7.011  1.00  0.00           H  
HETATM   97  H   UNL     1       2.091  -2.142  -8.394  1.00  0.00           H  
HETATM   98  H   UNL     1       3.090  -2.049  -6.924  1.00  0.00           H  
HETATM   99  H   UNL     1       3.039   2.451  -6.081  1.00  0.00           H  
HETATM  100  H   UNL     1       2.414   4.115  -6.171  1.00  0.00           H  
HETATM  101  H   UNL     1       0.173   4.518  -6.676  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.908   3.199  -7.185  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.391   3.321  -5.486  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.477   1.547  -6.118  1.00  0.00           H  
HETATM  105  H   UNL     1       3.226   1.323  -7.052  1.00  0.00           H  
HETATM  106  H   UNL     1       2.474   3.302  -4.029  1.00  0.00           H  
CONECT    1    2    2   21   22                                       
CONECT    2    1    1    3   49                                       
CONECT    3    2    4    4   58                                       
CONECT    4    3    3   16   23                                       
CONECT    5   16   17   24   24                                       
CONECT    6   17   18   18   25                                       
CONECT    7    8   18   26   59                                       
CONECT    8    7    9   60   61                                       
CONECT    9    8   10   13   27                                       
CONECT   10    9   14   19   62                                       
CONECT   11   19   19   20   63                                       
CONECT   12   20   21   30   30                                       
CONECT   13    9   64   65   66                                       
CONECT   14   10   28   29   29                                       
CONECT   15   28   67   68   69                                       
CONECT   16    4    5   21   21                                       
CONECT   17    5    6   20   20                                       
CONECT   18    6    6    7   19                                       
CONECT   19   10   11   11   18                                       
CONECT   20   11   12   17   17                                       
CONECT   21    1   12   16   16                                       
CONECT   22    1   45                                                 
CONECT   23    4   70                                                 
CONECT   24    5    5                                                 
CONECT   25    6   71                                                 
CONECT   26    7   31                                                 
CONECT   27    9   72                                                 
CONECT   28   14   15                                                 
CONECT   29   14   14                                                 
CONECT   30   12   12                                                 
CONECT   31   26   32   41   73                                       
CONECT   32   31   33   42   74                                       
CONECT   33   32   34   39   43                                       
CONECT   34   33   35   44   75                                       
CONECT   35   34   36   41   76                                       
CONECT   36   35   77   78   79                                       
CONECT   37   44   80   81   82                                       
CONECT   38   43   83   84   85                                       
CONECT   39   33   86   87   88                                       
CONECT   40   42   89   90   91                                       
CONECT   41   31   35                                                 
CONECT   42   32   40                                                 
CONECT   43   33   38                                                 
CONECT   44   34   37                                                 
CONECT   45   22   46   54   92                                       
CONECT   46   45   47   55   93                                       
CONECT   47   46   48   53   94                                       
CONECT   48   47   49   56   95                                       
CONECT   49    2   48   50   54                                       
CONECT   50   49   96   97   98                                       
CONECT   51   53   57   99  100                                       
CONECT   52   53  101  102  103                                       
CONECT   53   47   51   52                                            
CONECT   54   45   49                                                 
CONECT   55   46  104                                                 
CONECT   56   48  105                                                 
CONECT   57   51  106                                                 
CONECT   58    3                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   13                                                      
CONECT   65   13                                                      
CONECT   66   13                                                      
CONECT   67   15                                                      
CONECT   68   15                                                      
CONECT   69   15                                                      
CONECT   70   23                                                      
CONECT   71   25                                                      
CONECT   72   27                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
CONECT   84   38                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   39                                                      
CONECT   88   39                                                      
CONECT   89   40                                                      
CONECT   90   40                                                      
CONECT   91   40                                                      
CONECT   92   45                                                      
CONECT   93   46                                                      
CONECT   94   47                                                      
CONECT   95   48                                                      
CONECT   96   50                                                      
CONECT   97   50                                                      
CONECT   98   50                                                      
CONECT   99   51                                                      
CONECT  100   51                                                      
CONECT  101   52                                                      
CONECT  102   52                                                      
CONECT  103   52                                                      
CONECT  104   55                                                      
CONECT  105   56                                                      
CONECT  106   57                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
