COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.606   5.695   0.315  1.00  0.00           C  
HETATM    2  C   UNL     1       2.437   4.972  -0.356  1.00  0.00           C  
HETATM    3  C   UNL     1       1.065   2.978  -0.280  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.255   3.485   0.303  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.420   2.731  -0.341  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.278   1.234  -0.057  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.863  -0.555   0.129  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.338  -0.913   1.962  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.788  -0.511   3.343  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.700  -2.084   1.508  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.295  -2.584   0.148  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.827  -1.405  -0.710  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.682  -0.917  -2.214  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.869  -0.084  -2.624  1.00  0.00           C  
HETATM   15  C   UNL     1       0.042   0.727  -0.640  1.00  0.00           C  
HETATM   16  C   UNL     1       1.207   1.481   0.004  1.00  0.00           C  
HETATM   17  C   UNL     1       3.010  -0.090   0.175  1.00  0.00           C  
HETATM   18  C   UNL     1       2.677  -2.413   0.671  1.00  0.00           C  
HETATM   19  C   UNL     1       4.084  -2.768   0.181  1.00  0.00           C  
HETATM   20  C   UNL     1       4.034  -3.115  -1.309  1.00  0.00           C  
HETATM   21  C   UNL     1       5.009  -1.567   0.396  1.00  0.00           C  
HETATM   22  C   UNL     1       7.374  -1.061   0.521  1.00  0.00           C  
HETATM   23  C   UNL     1       4.429  -0.352  -0.335  1.00  0.00           C  
HETATM   24  N   UNL     1       2.184   3.702   0.338  1.00  0.00           N  
HETATM   25  N   UNL     1      -2.688   3.217   0.220  1.00  0.00           N  
HETATM   26  N   UNL     1      -3.618  -0.379   4.221  1.00  0.00           N  
HETATM   27  N   UNL     1      -4.981  -0.594  -1.109  1.00  0.00           N  
HETATM   28  N   UNL     1       6.343  -1.872  -0.141  1.00  0.00           N  
HETATM   29  O   UNL     1      -2.366   0.530  -0.658  1.00  0.00           O  
HETATM   30  O   UNL     1      -3.580  -0.045   1.256  1.00  0.00           O  
HETATM   31  O   UNL     1      -5.357  -1.879  -2.878  1.00  0.00           O  
HETATM   32  O   UNL     1       0.175  -0.671  -0.375  1.00  0.00           O  
HETATM   33  O   UNL     1       2.441   1.008  -0.541  1.00  0.00           O  
HETATM   34  O   UNL     1       2.209  -1.257  -0.026  1.00  0.00           O  
HETATM   35  O   UNL     1       4.576  -3.890   0.916  1.00  0.00           O  
HETATM   36  O   UNL     1       4.391  -0.612  -1.739  1.00  0.00           O  
HETATM   37  H   UNL     1       3.360   5.894   1.359  1.00  0.00           H  
HETATM   38  H   UNL     1       4.497   5.070   0.266  1.00  0.00           H  
HETATM   39  H   UNL     1       3.794   6.638  -0.199  1.00  0.00           H  
HETATM   40  H   UNL     1       1.546   5.597  -0.306  1.00  0.00           H  
HETATM   41  H   UNL     1       2.684   4.773  -1.399  1.00  0.00           H  
HETATM   42  H   UNL     1       1.075   3.146  -1.357  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.265   3.317   1.380  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.356   4.551   0.101  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.411   2.899  -1.418  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.288   1.066   1.020  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.031  -1.172   0.470  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.312   0.444   3.290  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.458  -1.272   3.742  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.313  -2.717   2.133  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.483  -3.304   0.253  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.148  -3.066  -0.330  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.314  -1.775  -1.598  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.770  -0.481  -2.157  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.717   0.947  -2.302  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.977  -0.114  -3.708  1.00  0.00           H  
HETATM   57  H   UNL     1       0.052   0.895  -1.717  1.00  0.00           H  
HETATM   58  H   UNL     1       1.198   1.313   1.081  1.00  0.00           H  
HETATM   59  H   UNL     1       3.043   0.148   1.239  1.00  0.00           H  
HETATM   60  H   UNL     1       2.004  -3.249   0.481  1.00  0.00           H  
HETATM   61  H   UNL     1       2.707  -2.205   1.740  1.00  0.00           H  
HETATM   62  H   UNL     1       3.501  -2.331  -1.847  1.00  0.00           H  
HETATM   63  H   UNL     1       5.049  -3.197  -1.697  1.00  0.00           H  
HETATM   64  H   UNL     1       3.515  -4.064  -1.443  1.00  0.00           H  
HETATM   65  H   UNL     1       5.084  -1.350   1.461  1.00  0.00           H  
HETATM   66  H   UNL     1       7.165  -0.004   0.358  1.00  0.00           H  
HETATM   67  H   UNL     1       7.371  -1.272   1.590  1.00  0.00           H  
HETATM   68  H   UNL     1       8.351  -1.307   0.105  1.00  0.00           H  
HETATM   69  H   UNL     1       5.052   0.521  -0.141  1.00  0.00           H  
HETATM   70  H   UNL     1       3.015   3.131   0.362  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.805   4.204   0.045  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.469   2.691  -0.142  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.951   0.274   3.838  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.894  -0.109   5.153  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.240   0.175  -0.577  1.00  0.00           H  
HETATM   76  H   UNL     1       6.368  -1.743  -1.141  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.478  -1.221  -0.828  1.00  0.00           H  
HETATM   78  H   UNL     1       4.035  -4.686   0.829  1.00  0.00           H  
HETATM   79  H   UNL     1       4.034   0.117  -2.265  1.00  0.00           H  
CONECT    1    2   37   38   39                                       
CONECT    2    1   24   40   41                                       
CONECT    3   24   16    4   42                                       
CONECT    4    3    5   43   44                                       
CONECT    5    4   25    6   45                                       
CONECT    6   15    5   29   46                                       
CONECT    7   29   30   12   47                                       
CONECT    8   30    9   10   10                                       
CONECT    9   26    8   48   49                                       
CONECT   10    8    8   11   50                                       
CONECT   11   10   12   51   52                                       
CONECT   12    7   27   11   53                                       
CONECT   13   27   14   31   31                                       
CONECT   14   13   54   55   56                                       
CONECT   15   16   32    6   57                                       
CONECT   16    3   33   15   58                                       
CONECT   17   23   33   34   59                                       
CONECT   18   19   34   60   61                                       
CONECT   19   21   20   35   18                                       
CONECT   20   19   62   63   64                                       
CONECT   21   28   23   19   65                                       
CONECT   22   28   66   67   68                                       
CONECT   23   36   21   17   69                                       
CONECT   24    2    3   70                                            
CONECT   25    5   71   72                                            
CONECT   26    9   73   74                                            
CONECT   27   12   13   75                                            
CONECT   28   22   21   76                                            
CONECT   29    6    7                                                 
CONECT   30    7    8                                                 
CONECT   31   13   13                                                 
CONECT   32   15   77                                                 
CONECT   33   17   16                                                 
CONECT   34   17   18                                                 
CONECT   35   19   78                                                 
CONECT   36   23   79                                                 
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   32                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
