COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.503  -1.289  -1.498  1.00  0.00           C  
HETATM    2  C   UNL     1       8.756  -2.158   0.482  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.526  -0.600  -0.794  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.897   0.162   0.306  1.00  0.00           C  
HETATM    5  C   UNL     1       4.530   0.200  -0.280  1.00  0.00           C  
HETATM    6  C   UNL     1       0.424   0.687   0.703  1.00  0.00           C  
HETATM    7  C   UNL     1       1.248  -0.083   1.517  1.00  0.00           C  
HETATM    8  C   UNL     1       2.579  -0.243   1.200  1.00  0.00           C  
HETATM    9  C   UNL     1       3.104   0.370   0.059  1.00  0.00           C  
HETATM   10  C   UNL     1       6.742  -0.714   0.174  1.00  0.00           C  
HETATM   11  C   UNL     1       7.263  -2.018   0.787  1.00  0.00           C  
HETATM   12  N   UNL     1      -4.840  -1.874  -1.747  1.00  0.00           N  
HETATM   13  N   UNL     1      -0.922   0.846   1.027  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.818  -1.190  -1.071  1.00  0.00           C  
HETATM   15  N   UNL     1       5.327  -0.546   0.511  1.00  0.00           N  
HETATM   16  C   UNL     1      -6.055  -1.967  -1.166  1.00  0.00           C  
HETATM   17  C   UNL     1      10.932  -1.180   0.888  1.00  0.00           C  
HETATM   18  C   UNL     1       9.031   0.249   0.432  1.00  0.00           C  
HETATM   19  C   UNL     1       7.547   0.461   0.735  1.00  0.00           C  
HETATM   20  C   UNL     1       2.277   1.144  -0.760  1.00  0.00           C  
HETATM   21  C   UNL     1       0.945   1.306  -0.435  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.594  -2.475  -3.060  1.00  0.00           C  
HETATM   23  C   UNL     1       0.702   2.552  -2.446  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.385   2.622  -3.521  1.00  0.00           C  
HETATM   25  C   UNL     1       1.278   3.950  -2.211  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.129  -0.383   0.024  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.535   0.260   1.804  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.894   1.654   1.922  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.003   2.609   2.409  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.020   1.681   3.118  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.011   0.416   2.223  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.246  -1.434   0.232  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.797  -2.490   1.244  1.00  0.00           C  
HETATM   34  N   UNL     1       9.481  -1.010   1.040  1.00  0.00           N  
HETATM   35  N   UNL     1      -3.165   0.248   0.680  1.00  0.00           N  
HETATM   36  N   UNL     1      -5.453  -0.215   0.417  1.00  0.00           N  
HETATM   37  O   UNL     1      -6.983  -2.474  -1.760  1.00  0.00           O  
HETATM   38  O   UNL     1       4.986   0.734  -1.273  1.00  0.00           O  
HETATM   39  O   UNL     1       0.138   2.059  -1.229  1.00  0.00           O  
HETATM   40  H   UNL     1      -2.245  -1.885  -2.361  1.00  0.00           H  
HETATM   41  H   UNL     1       9.132  -3.078   0.929  1.00  0.00           H  
HETATM   42  H   UNL     1       8.904  -2.192  -0.598  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.491  -0.655  -1.097  1.00  0.00           H  
HETATM   44  H   UNL     1       0.843  -0.557   2.399  1.00  0.00           H  
HETATM   45  H   UNL     1       3.216  -0.841   1.834  1.00  0.00           H  
HETATM   46  H   UNL     1       6.857  -0.750  -0.910  1.00  0.00           H  
HETATM   47  H   UNL     1       6.722  -2.862   0.359  1.00  0.00           H  
HETATM   48  H   UNL     1       7.112  -1.998   1.866  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.179   1.434   1.755  1.00  0.00           H  
HETATM   50  H   UNL     1       4.963  -0.971   1.303  1.00  0.00           H  
HETATM   51  H   UNL     1      11.448  -0.352   1.375  1.00  0.00           H  
HETATM   52  H   UNL     1      11.238  -2.119   1.347  1.00  0.00           H  
HETATM   53  H   UNL     1      11.187  -1.193  -0.172  1.00  0.00           H  
HETATM   54  H   UNL     1       9.179   0.204  -0.647  1.00  0.00           H  
HETATM   55  H   UNL     1       9.608   1.077   0.843  1.00  0.00           H  
HETATM   56  H   UNL     1       7.209   1.388   0.271  1.00  0.00           H  
HETATM   57  H   UNL     1       7.400   0.520   1.814  1.00  0.00           H  
HETATM   58  H   UNL     1       2.680   1.619  -1.642  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.247  -3.500  -2.931  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.517  -2.474  -3.640  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.833  -1.898  -3.587  1.00  0.00           H  
HETATM   62  H   UNL     1       1.496   1.882  -2.776  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.179   3.291  -3.191  1.00  0.00           H  
HETATM   64  H   UNL     1       0.045   2.998  -4.449  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.795   1.625  -3.688  1.00  0.00           H  
HETATM   66  H   UNL     1       2.052   3.900  -1.446  1.00  0.00           H  
HETATM   67  H   UNL     1       1.708   4.326  -3.140  1.00  0.00           H  
HETATM   68  H   UNL     1       0.483   4.619  -1.882  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.030  -0.441   2.469  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.078   1.630   2.645  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.521   1.977   0.950  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.598   3.339   3.110  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.471   3.112   1.562  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.685   1.442   4.128  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.010   2.135   3.136  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.642   0.564   1.347  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.342  -0.454   2.790  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.300  -1.207   0.391  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.944  -2.110   2.255  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.386  -3.397   1.107  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.742  -2.715   1.090  1.00  0.00           H  
CONECT    1   14   14    3   40                                       
CONECT    2   11   34   41   42                                       
CONECT    3    4    4    1   43                                       
CONECT    4   35   13    3    3                                       
CONECT    5    9   38   38   15                                       
CONECT    6   13   21   21    7                                       
CONECT    7    6    8    8   44                                       
CONECT    8    7    7    9   45                                       
CONECT    9   20   20    8    5                                       
CONECT   10   15   19   11   46                                       
CONECT   11   10    2   47   48                                       
CONECT   12   16   14   22                                            
CONECT   13    4    6   49                                            
CONECT   14   26   12    1    1                                       
CONECT   15    5   10   50                                            
CONECT   16   32   37   37   12                                       
CONECT   17   34   51   52   53                                       
CONECT   18   19   34   54   55                                       
CONECT   19   10   18   56   57                                       
CONECT   20   21    9    9   58                                       
CONECT   21   39    6    6   20                                       
CONECT   22   12   59   60   61                                       
CONECT   23   25   39   24   62                                       
CONECT   24   23   63   64   65                                       
CONECT   25   23   66   67   68                                       
CONECT   26   36   35   35   14                                       
CONECT   27   28   31   36   69                                       
CONECT   28   29   27   70   71                                       
CONECT   29   30   28   72   73                                       
CONECT   30   29   31   74   75                                       
CONECT   31   30   27   76   77                                       
CONECT   32   33   36   16   78                                       
CONECT   33   32   79   80   81                                       
CONECT   34   18    2   17                                            
CONECT   35   26   26    4                                            
CONECT   36   27   32   26                                            
CONECT   37   16   16                                                 
CONECT   38    5    5                                                 
CONECT   39   23   21                                                 
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
