COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.510   0.874  -3.449  1.00  0.00           C  
HETATM    2  C   UNL     1       4.158  -2.781  -3.670  1.00  0.00           C  
HETATM    3  C   UNL     1       2.206  -4.476  -1.116  1.00  0.00           C  
HETATM    4  C   UNL     1       2.147   3.295   2.815  1.00  0.00           C  
HETATM    5  C   UNL     1       1.062   2.528   2.807  1.00  0.00           C  
HETATM    6  C   UNL     1       0.117   2.241   5.086  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.438   0.695   1.941  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.804   0.075   1.640  1.00  0.00           C  
HETATM    9  C   UNL     1       2.444   4.161   1.668  1.00  0.00           C  
HETATM   10  C   UNL     1       3.937   5.549   0.391  1.00  0.00           C  
HETATM   11  C   UNL     1       4.804   4.508  -0.274  1.00  0.00           C  
HETATM   12  C   UNL     1       4.319   3.775  -1.271  1.00  0.00           C  
HETATM   13  C   UNL     1       5.159   2.739  -1.895  1.00  0.00           C  
HETATM   14  C   UNL     1       6.596   2.572  -1.472  1.00  0.00           C  
HETATM   15  C   UNL     1       4.649   1.946  -2.832  1.00  0.00           C  
HETATM   16  C   UNL     1       4.619  -0.234  -4.012  1.00  0.00           C  
HETATM   17  C   UNL     1       4.922  -1.531  -3.313  1.00  0.00           C  
HETATM   18  C   UNL     1       3.359  -3.230  -2.472  1.00  0.00           C  
HETATM   19  C   UNL     1       2.356  -3.244  -0.559  1.00  0.00           C  
HETATM   20  C   UNL     1       0.824   1.541   3.924  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.056   0.407   3.395  1.00  0.00           C  
HETATM   22  C   UNL     1       0.614   0.091   1.008  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.761   0.526   0.352  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.801   0.906  -0.806  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.493   1.615  -1.766  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.811   1.231  -2.063  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.367   0.131  -1.358  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.684  -0.270  -1.639  1.00  0.00           C  
HETATM   29  C   UNL     1     -10.403   0.400  -2.580  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.856   1.480  -3.272  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.583   1.898  -3.026  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.580  -0.525  -0.399  1.00  0.00           C  
HETATM   33  C   UNL     1       0.071  -1.912   2.889  1.00  0.00           C  
HETATM   34  C   UNL     1       0.727  -3.268   2.921  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.293  -4.327   3.352  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.201  -5.457   2.318  1.00  0.00           C  
HETATM   37  C   UNL     1       0.857  -5.015   1.303  1.00  0.00           C  
HETATM   38  C   UNL     1       1.856  -2.790   0.748  1.00  0.00           C  
HETATM   39  N   UNL     1       3.522   4.994   1.705  1.00  0.00           N  
HETATM   40  N   UNL     1       3.076  -2.493  -1.441  1.00  0.00           N  
HETATM   41  N   UNL     1      -4.490   1.275  -0.500  1.00  0.00           N  
HETATM   42  N   UNL     1      -6.356  -0.117  -0.161  1.00  0.00           N  
HETATM   43  N   UNL     1       1.202  -3.621   1.583  1.00  0.00           N  
HETATM   44  O   UNL     1       1.728   4.136   0.685  1.00  0.00           O  
HETATM   45  O   UNL     1       2.825  -4.448  -2.308  1.00  0.00           O  
HETATM   46  O   UNL     1       5.780  -1.572  -2.463  1.00  0.00           O  
HETATM   47  O   UNL     1       6.377   0.328  -2.454  1.00  0.00           O  
HETATM   48  O   UNL     1      -2.531   0.931   0.720  1.00  0.00           O  
HETATM   49  O   UNL     1      -4.214  -0.515   0.786  1.00  0.00           O  
HETATM   50  O   UNL     1       0.664  -0.853   3.463  1.00  0.00           O  
HETATM   51  O   UNL     1       2.038  -1.635   1.084  1.00  0.00           O  
HETATM   52  O   UNL     1      -0.998  -1.776   2.343  1.00  0.00           O  
HETATM   53  H   UNL     1       6.105   1.305  -4.254  1.00  0.00           H  
HETATM   54  H   UNL     1       3.484  -2.572  -4.500  1.00  0.00           H  
HETATM   55  H   UNL     1       4.858  -3.566  -3.957  1.00  0.00           H  
HETATM   56  H   UNL     1       1.686  -5.317  -0.682  1.00  0.00           H  
HETATM   57  H   UNL     1       2.810   3.280   3.672  1.00  0.00           H  
HETATM   58  H   UNL     1       0.363   2.578   1.987  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.067   1.523   5.885  1.00  0.00           H  
HETATM   60  H   UNL     1       0.745   3.048   5.461  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.832   2.650   4.739  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.485   1.773   1.785  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.665  -0.908   1.189  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.369  -0.026   2.567  1.00  0.00           H  
HETATM   65  H   UNL     1       4.505   6.467   0.539  1.00  0.00           H  
HETATM   66  H   UNL     1       3.059   5.750  -0.223  1.00  0.00           H  
HETATM   67  H   UNL     1       5.816   4.353   0.064  1.00  0.00           H  
HETATM   68  H   UNL     1       3.315   3.943  -1.635  1.00  0.00           H  
HETATM   69  H   UNL     1       6.663   1.795  -0.711  1.00  0.00           H  
HETATM   70  H   UNL     1       7.198   2.289  -2.335  1.00  0.00           H  
HETATM   71  H   UNL     1       6.966   3.513  -1.064  1.00  0.00           H  
HETATM   72  H   UNL     1       3.628   2.074  -3.150  1.00  0.00           H  
HETATM   73  H   UNL     1       3.572   0.027  -3.854  1.00  0.00           H  
HETATM   74  H   UNL     1       4.808  -0.344  -5.080  1.00  0.00           H  
HETATM   75  H   UNL     1       1.777   1.136   4.266  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.960   0.340   4.000  1.00  0.00           H  
HETATM   77  H   UNL     1       0.426  -0.977   0.892  1.00  0.00           H  
HETATM   78  H   UNL     1       0.558   0.577   0.034  1.00  0.00           H  
HETATM   79  H   UNL     1       1.606   0.241   1.433  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.031   2.446  -2.279  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.122  -1.105  -1.112  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.415   0.090  -2.795  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.451   1.994  -4.013  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.172   2.736  -3.569  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.985  -1.363   0.148  1.00  0.00           H  
HETATM   86  H   UNL     1       1.567  -3.255   3.616  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.044  -4.705   4.344  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.296  -3.902   3.355  1.00  0.00           H  
HETATM   89  H   UNL     1       0.107  -6.384   2.802  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.163  -5.593   1.824  1.00  0.00           H  
HETATM   91  H   UNL     1       1.745  -5.640   1.399  1.00  0.00           H  
HETATM   92  H   UNL     1       0.456  -5.098   0.292  1.00  0.00           H  
HETATM   93  H   UNL     1       3.984   5.210   2.530  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.104   2.069  -0.900  1.00  0.00           H  
HETATM   95  H   UNL     1       7.105  -0.198  -2.812  1.00  0.00           H  
CONECT    1   15   16   47   53                                       
CONECT    2   18   17   54   55                                       
CONECT    3   19   19   45   56                                       
CONECT    4    5    5    9   57                                       
CONECT    5   20    4    4   58                                       
CONECT    6   20   59   60   61                                       
CONECT    7    8   22   21   62                                       
CONECT    8   48    7   63   64                                       
CONECT    9    4   39   44   44                                       
CONECT   10   39   11   65   66                                       
CONECT   11   10   12   12   67                                       
CONECT   12   11   11   13   68                                       
CONECT   13   14   12   15   15                                       
CONECT   14   13   69   70   71                                       
CONECT   15   13   13    1   72                                       
CONECT   16   17    1   73   74                                       
CONECT   17    2   16   46   46                                       
CONECT   18   40   40   45    2                                       
CONECT   19   38    3    3   40                                       
CONECT   20    6   21    5   75                                       
CONECT   21    7   20   50   76                                       
CONECT   22    7   77   78   79                                       
CONECT   23   41   48   49   49                                       
CONECT   24   25   41   42   42                                       
CONECT   25   26   26   24   80                                       
CONECT   26   31   25   25   27                                       
CONECT   27   26   28   32   32                                       
CONECT   28   29   29   27   81                                       
CONECT   29   30   28   28   82                                       
CONECT   30   31   31   29   83                                       
CONECT   31   30   30   26   84                                       
CONECT   32   27   27   42   85                                       
CONECT   33   50   34   52   52                                       
CONECT   34   33   35   43   86                                       
CONECT   35   34   36   87   88                                       
CONECT   36   35   37   89   90                                       
CONECT   37   36   43   91   92                                       
CONECT   38   51   51   43   19                                       
CONECT   39    9   10   93                                            
CONECT   40   19   18   18                                            
CONECT   41   24   23   94                                            
CONECT   42   24   24   32                                            
CONECT   43   34   38   37                                            
CONECT   44    9    9                                                 
CONECT   45    3   18                                                 
CONECT   46   17   17                                                 
CONECT   47    1   95                                                 
CONECT   48   23    8                                                 
CONECT   49   23   23                                                 
CONECT   50   21   33                                                 
CONECT   51   38   38                                                 
CONECT   52   33   33                                                 
CONECT   53    1                                                      
CONECT   54    2                                                      
CONECT   55    2                                                      
CONECT   56    3                                                      
CONECT   57    4                                                      
CONECT   58    5                                                      
CONECT   59    6                                                      
CONECT   60    6                                                      
CONECT   61    6                                                      
CONECT   62    7                                                      
CONECT   63    8                                                      
CONECT   64    8                                                      
CONECT   65   10                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   14                                                      
CONECT   70   14                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   16                                                      
CONECT   74   16                                                      
CONECT   75   20                                                      
CONECT   76   21                                                      
CONECT   77   22                                                      
CONECT   78   22                                                      
CONECT   79   22                                                      
CONECT   80   25                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   31                                                      
CONECT   85   32                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   35                                                      
CONECT   89   36                                                      
CONECT   90   36                                                      
CONECT   91   37                                                      
CONECT   92   37                                                      
CONECT   93   39                                                      
CONECT   94   41                                                      
CONECT   95   47                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
