COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.866  -0.087  -0.980  1.00  0.00           C  
HETATM    2  C   UNL     1       2.532  -0.338   0.492  1.00  0.00           C  
HETATM    3  C   UNL     1       2.178   0.988   1.168  1.00  0.00           C  
HETATM    4  O   UNL     1       1.048   1.570   0.515  1.00  0.00           O  
HETATM    5  C   UNL     1       3.370   1.943   1.071  1.00  0.00           C  
HETATM    6  C   UNL     1       3.705   2.194  -0.400  1.00  0.00           C  
HETATM    7  C   UNL     1       4.897   3.148  -0.497  1.00  0.00           C  
HETATM    8  C   UNL     1       6.106   2.526   0.203  1.00  0.00           C  
HETATM    9  C   UNL     1       6.458   1.198  -0.472  1.00  0.00           C  
HETATM   10  C   UNL     1       5.268   0.245  -0.378  1.00  0.00           C  
HETATM   11  C   UNL     1       4.057   0.868  -1.077  1.00  0.00           C  
HETATM   12  C   UNL     1       5.638  -1.065  -1.082  1.00  0.00           C  
HETATM   13  C   UNL     1       6.807  -1.706  -0.340  1.00  0.00           C  
HETATM   14  O   UNL     1       7.121  -2.960  -0.948  1.00  0.00           O  
HETATM   15  C   UNL     1       8.041  -0.800  -0.386  1.00  0.00           C  
HETATM   16  C   UNL     1       7.702   0.604   0.143  1.00  0.00           C  
HETATM   17  O   UNL     1       8.808   1.476  -0.100  1.00  0.00           O  
HETATM   18  C   UNL     1       7.571   0.394   1.663  1.00  0.00           C  
HETATM   19  C   UNL     1       8.710  -0.600   1.988  1.00  0.00           C  
HETATM   20  C   UNL     1       9.031  -1.344   0.678  1.00  0.00           C  
HETATM   21  C   UNL     1       8.656  -0.750  -1.786  1.00  0.00           C  
HETATM   22  C   UNL     1       4.392   1.119  -2.548  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.209   1.176   1.069  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.113  -0.589   0.385  1.00  0.00           C  
HETATM   25  C   UNL     1     -10.197   0.137  -0.733  1.00  0.00           C  
HETATM   26  C   UNL     1      10.450  -1.060   0.257  1.00  0.00           C  
HETATM   27  C   UNL     1      11.098   0.299   0.135  1.00  0.00           C  
HETATM   28  O   UNL     1      12.465   0.056  -0.300  1.00  0.00           O  
HETATM   29  C   UNL     1      11.373  -1.960  -0.074  1.00  0.00           C  
HETATM   30  C   UNL     1      12.620  -1.276  -0.425  1.00  0.00           C  
HETATM   31  O   UNL     1      13.645  -1.829  -0.773  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.336   1.950   0.379  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.275  -1.345   1.035  1.00  0.00           C  
HETATM   34  C   UNL     1     -11.216   0.351  -1.856  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.683   1.479   0.935  1.00  0.00           C  
HETATM   36  O   UNL     1      -2.756   1.781   2.330  1.00  0.00           O  
HETATM   37  C   UNL     1      -7.455  -1.388   0.059  1.00  0.00           C  
HETATM   38  O   UNL     1      -7.079  -2.116  -1.112  1.00  0.00           O  
HETATM   39  C   UNL     1     -12.621   0.424  -1.252  1.00  0.00           C  
HETATM   40  O   UNL     1     -12.710   1.552  -0.380  1.00  0.00           O  
HETATM   41  C   UNL     1      -2.807  -0.034   0.731  1.00  0.00           C  
HETATM   42  O   UNL     1      -4.028  -0.495   1.311  1.00  0.00           O  
HETATM   43  C   UNL     1      -7.836   0.044  -0.328  1.00  0.00           C  
HETATM   44  O   UNL     1      -8.889   0.013  -1.294  1.00  0.00           O  
HETATM   45  C   UNL     1     -12.891  -0.859  -0.459  1.00  0.00           C  
HETATM   46  O   UNL     1     -14.172  -0.771   0.169  1.00  0.00           O  
HETATM   47  C   UNL     1      -1.623  -0.731   1.407  1.00  0.00           C  
HETATM   48  O   UNL     1      -0.401  -0.225   0.866  1.00  0.00           O  
HETATM   49  C   UNL     1      -6.614   0.746  -0.925  1.00  0.00           C  
HETATM   50  O   UNL     1      -5.544   0.724   0.022  1.00  0.00           O  
HETATM   51  C   UNL     1     -11.808  -1.026   0.610  1.00  0.00           C  
HETATM   52  O   UNL     1     -10.523  -1.055  -0.016  1.00  0.00           O  
HETATM   53  C   UNL     1      -1.708  -2.238   1.157  1.00  0.00           C  
HETATM   54  C   UNL     1      -6.970   2.195  -1.259  1.00  0.00           C  
HETATM   55  C   UNL     1     -12.036  -2.336   1.367  1.00  0.00           C  
HETATM   56  H   UNL     1       3.118  -1.032  -1.462  1.00  0.00           H  
HETATM   57  H   UNL     1       2.004   0.357  -1.478  1.00  0.00           H  
HETATM   58  H   UNL     1       1.683  -1.018   0.561  1.00  0.00           H  
HETATM   59  H   UNL     1       3.394  -0.781   0.990  1.00  0.00           H  
HETATM   60  H   UNL     1       1.940   0.810   2.216  1.00  0.00           H  
HETATM   61  H   UNL     1       3.118   2.888   1.553  1.00  0.00           H  
HETATM   62  H   UNL     1       4.232   1.500   1.569  1.00  0.00           H  
HETATM   63  H   UNL     1       2.843   2.638  -0.899  1.00  0.00           H  
HETATM   64  H   UNL     1       5.135   3.327  -1.546  1.00  0.00           H  
HETATM   65  H   UNL     1       4.645   4.094  -0.016  1.00  0.00           H  
HETATM   66  H   UNL     1       6.956   3.205   0.133  1.00  0.00           H  
HETATM   67  H   UNL     1       5.868   2.348   1.251  1.00  0.00           H  
HETATM   68  H   UNL     1       6.662   1.391  -1.525  1.00  0.00           H  
HETATM   69  H   UNL     1       5.031   0.056   0.669  1.00  0.00           H  
HETATM   70  H   UNL     1       4.783  -1.741  -1.071  1.00  0.00           H  
HETATM   71  H   UNL     1       5.929  -0.857  -2.112  1.00  0.00           H  
HETATM   72  H   UNL     1       6.524  -1.872   0.700  1.00  0.00           H  
HETATM   73  H   UNL     1       6.391  -3.595  -0.939  1.00  0.00           H  
HETATM   74  H   UNL     1       8.694   2.366   0.261  1.00  0.00           H  
HETATM   75  H   UNL     1       7.718   1.334   2.194  1.00  0.00           H  
HETATM   76  H   UNL     1       6.601  -0.039   1.908  1.00  0.00           H  
HETATM   77  H   UNL     1       9.590  -0.059   2.336  1.00  0.00           H  
HETATM   78  H   UNL     1       8.382  -1.308   2.749  1.00  0.00           H  
HETATM   79  H   UNL     1       8.887  -2.416   0.811  1.00  0.00           H  
HETATM   80  H   UNL     1       7.896  -0.444  -2.506  1.00  0.00           H  
HETATM   81  H   UNL     1       9.476  -0.032  -1.796  1.00  0.00           H  
HETATM   82  H   UNL     1       9.033  -1.737  -2.053  1.00  0.00           H  
HETATM   83  H   UNL     1       3.530   1.562  -3.046  1.00  0.00           H  
HETATM   84  H   UNL     1       5.241   1.799  -2.617  1.00  0.00           H  
HETATM   85  H   UNL     1       4.643   0.174  -3.030  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.220   1.394   2.137  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.785  -1.124  -0.506  1.00  0.00           H  
HETATM   88  H   UNL     1     -10.221   0.989  -0.053  1.00  0.00           H  
HETATM   89  H   UNL     1      10.570   0.902  -0.604  1.00  0.00           H  
HETATM   90  H   UNL     1      11.096   0.804   1.102  1.00  0.00           H  
HETATM   91  H   UNL     1      11.225  -3.030  -0.083  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.215   3.016   0.569  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.300   1.765  -0.695  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.961  -2.361   1.273  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.577  -0.833   1.949  1.00  0.00           H  
HETATM   96  H   UNL     1     -10.994   1.283  -2.376  1.00  0.00           H  
HETATM   97  H   UNL     1     -11.163  -0.480  -2.558  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.492   1.987   0.410  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.677   2.723   2.533  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.304  -1.878   0.535  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.818  -3.031  -0.940  1.00  0.00           H  
HETATM  102  H   UNL     1     -13.357   0.522  -2.050  1.00  0.00           H  
HETATM  103  H   UNL     1     -12.543   2.400  -0.815  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.802  -0.259  -0.336  1.00  0.00           H  
HETATM  105  H   UNL     1      -8.171   0.583   0.558  1.00  0.00           H  
HETATM  106  H   UNL     1     -12.874  -1.715  -1.133  1.00  0.00           H  
HETATM  107  H   UNL     1     -14.408  -1.551   0.690  1.00  0.00           H  
HETATM  108  H   UNL     1      -1.653  -0.538   2.480  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.305   0.228  -1.834  1.00  0.00           H  
HETATM  110  H   UNL     1     -11.853  -0.190   1.308  1.00  0.00           H  
HETATM  111  H   UNL     1      -1.591  -2.436   0.091  1.00  0.00           H  
HETATM  112  H   UNL     1      -0.915  -2.743   1.709  1.00  0.00           H  
HETATM  113  H   UNL     1      -2.677  -2.608   1.492  1.00  0.00           H  
HETATM  114  H   UNL     1      -7.195   2.735  -0.339  1.00  0.00           H  
HETATM  115  H   UNL     1      -6.128   2.670  -1.762  1.00  0.00           H  
HETATM  116  H   UNL     1      -7.842   2.214  -1.913  1.00  0.00           H  
HETATM  117  H   UNL     1     -11.990  -3.172   0.669  1.00  0.00           H  
HETATM  118  H   UNL     1     -11.264  -2.455   2.128  1.00  0.00           H  
HETATM  119  H   UNL     1     -13.016  -2.314   1.844  1.00  0.00           H  
CONECT    1    2   11   56   57                                       
CONECT    2    1    3   58   59                                       
CONECT    3    2    4    5   60                                       
CONECT    4    3   23                                                 
CONECT    5    3    6   61   62                                       
CONECT    6    5    7   11   63                                       
CONECT    7    6    8   64   65                                       
CONECT    8    7    9   66   67                                       
CONECT    9    8   10   16   68                                       
CONECT   10    9   11   12   69                                       
CONECT   11    1    6   10   22                                       
CONECT   12   10   13   70   71                                       
CONECT   13   12   14   15   72                                       
CONECT   14   13   73                                                 
CONECT   15   13   16   20   21                                       
CONECT   16    9   15   17   18                                       
CONECT   17   16   74                                                 
CONECT   18   16   19   75   76                                       
CONECT   19   18   20   77   78                                       
CONECT   20   15   19   26   79                                       
CONECT   21   15   80   81   82                                       
CONECT   22   11   83   84   85                                       
CONECT   23    4   32   48   86                                       
CONECT   24   33   42   50   87                                       
CONECT   25   34   44   52   88                                       
CONECT   26   20   27   29   29                                       
CONECT   27   26   28   89   90                                       
CONECT   28   27   30                                                 
CONECT   29   26   26   30   91                                       
CONECT   30   28   29   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   23   35   92   93                                       
CONECT   33   24   37   94   95                                       
CONECT   34   25   39   96   97                                       
CONECT   35   32   36   41   98                                       
CONECT   36   35   99                                                 
CONECT   37   33   38   43  100                                       
CONECT   38   37  101                                                 
CONECT   39   34   40   45  102                                       
CONECT   40   39  103                                                 
CONECT   41   35   42   47  104                                       
CONECT   42   24   41                                                 
CONECT   43   37   44   49  105                                       
CONECT   44   25   43                                                 
CONECT   45   39   46   51  106                                       
CONECT   46   45  107                                                 
CONECT   47   41   48   53  108                                       
CONECT   48   23   47                                                 
CONECT   49   43   50   54  109                                       
CONECT   50   24   49                                                 
CONECT   51   45   52   55  110                                       
CONECT   52   25   51                                                 
CONECT   53   47  111  112  113                                       
CONECT   54   49  114  115  116                                       
CONECT   55   51  117  118  119                                       
CONECT   56    1                                                      
CONECT   57    1                                                      
CONECT   58    2                                                      
CONECT   59    2                                                      
CONECT   60    3                                                      
CONECT   61    5                                                      
CONECT   62    5                                                      
CONECT   63    6                                                      
CONECT   64    7                                                      
CONECT   65    7                                                      
CONECT   66    8                                                      
CONECT   67    8                                                      
CONECT   68    9                                                      
CONECT   69   10                                                      
CONECT   70   12                                                      
CONECT   71   12                                                      
CONECT   72   13                                                      
CONECT   73   14                                                      
CONECT   74   17                                                      
CONECT   75   18                                                      
CONECT   76   18                                                      
CONECT   77   19                                                      
CONECT   78   19                                                      
CONECT   79   20                                                      
CONECT   80   21                                                      
CONECT   81   21                                                      
CONECT   82   21                                                      
CONECT   83   22                                                      
CONECT   84   22                                                      
CONECT   85   22                                                      
CONECT   86   23                                                      
CONECT   87   24                                                      
CONECT   88   25                                                      
CONECT   89   27                                                      
CONECT   90   27                                                      
CONECT   91   29                                                      
CONECT   92   32                                                      
CONECT   93   32                                                      
CONECT   94   33                                                      
CONECT   95   33                                                      
CONECT   96   34                                                      
CONECT   97   34                                                      
CONECT   98   35                                                      
CONECT   99   36                                                      
CONECT  100   37                                                      
CONECT  101   38                                                      
CONECT  102   39                                                      
CONECT  103   40                                                      
CONECT  104   41                                                      
CONECT  105   43                                                      
CONECT  106   45                                                      
CONECT  107   46                                                      
CONECT  108   47                                                      
CONECT  109   49                                                      
CONECT  110   51                                                      
CONECT  111   53                                                      
CONECT  112   53                                                      
CONECT  113   53                                                      
CONECT  114   54                                                      
CONECT  115   54                                                      
CONECT  116   54                                                      
CONECT  117   55                                                      
CONECT  118   55                                                      
CONECT  119   55                                                      
MASTER        0    0    0    0    0    0    0    0  119    0  119    0
END
