COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -11.064   2.892  -1.954  1.00  0.00           C  
HETATM    2  C   UNL     1     -11.063   2.374  -0.672  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.906   2.402   0.084  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.750   2.947  -0.441  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.489   2.978   0.384  1.00  0.00           C  
HETATM    6  O   UNL     1      -6.730   1.762   0.154  1.00  0.00           O  
HETATM    7  C   UNL     1      -5.568   1.631   0.820  1.00  0.00           C  
HETATM    8  N   UNL     1      -4.815   0.526   0.652  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.550   0.384   1.377  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.638  -0.545   0.619  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.411  -0.826   1.100  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.524  -1.730   0.363  1.00  0.00           C  
HETATM   13  C   UNL     1       0.931  -1.419   0.719  1.00  0.00           C  
HETATM   14  C   UNL     1       1.287  -0.013   0.230  1.00  0.00           C  
HETATM   15  C   UNL     1       2.742   0.297   0.587  1.00  0.00           C  
HETATM   16  C   UNL     1       3.098   1.703   0.098  1.00  0.00           C  
HETATM   17  N   UNL     1       4.491   2.000   0.439  1.00  0.00           N  
HETATM   18  C   UNL     1       5.028   3.191   0.104  1.00  0.00           C  
HETATM   19  C   UNL     1       6.461   3.497   0.455  1.00  0.00           C  
HETATM   20  C   UNL     1       7.387   2.553  -0.315  1.00  0.00           C  
HETATM   21  C   UNL     1       7.271   2.830  -1.792  1.00  0.00           C  
HETATM   22  O   UNL     1       6.905   1.957  -2.542  1.00  0.00           O  
HETATM   23  C   UNL     1       8.833   2.779   0.134  1.00  0.00           C  
HETATM   24  C   UNL     1       9.759   1.836  -0.636  1.00  0.00           C  
HETATM   25  C   UNL     1      11.214   2.147  -0.280  1.00  0.00           C  
HETATM   26  C   UNL     1       8.951   2.499   1.633  1.00  0.00           C  
HETATM   27  O   UNL     1       6.759   4.849   0.104  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.838  -3.156   0.734  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.146  -4.162   0.177  1.00  0.00           O  
HETATM   30  C   UNL     1      -0.503  -5.510   0.581  1.00  0.00           C  
HETATM   31  C   UNL     1       0.374  -6.500  -0.141  1.00  0.00           C  
HETATM   32  C   UNL     1       1.574  -6.898   0.418  1.00  0.00           C  
HETATM   33  C   UNL     1       2.378  -7.806  -0.245  1.00  0.00           C  
HETATM   34  C   UNL     1       1.982  -8.316  -1.467  1.00  0.00           C  
HETATM   35  C   UNL     1       0.782  -7.919  -2.026  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.024  -7.014  -1.361  1.00  0.00           C  
HETATM   37  O   UNL     1       4.357   4.015  -0.480  1.00  0.00           O  
HETATM   38  O   UNL     1      -1.714  -3.394   1.532  1.00  0.00           O  
HETATM   39  O   UNL     1      -3.008  -1.040  -0.425  1.00  0.00           O  
HETATM   40  C   UNL     1      -3.822  -0.192   2.769  1.00  0.00           C  
HETATM   41  O   UNL     1      -5.198   2.510   1.574  1.00  0.00           O  
HETATM   42  C   UNL     1      -8.750   3.464  -1.723  1.00  0.00           C  
HETATM   43  C   UNL     1      -9.908   3.438  -2.479  1.00  0.00           C  
HETATM   44  H   UNL     1     -11.966   2.866  -2.546  1.00  0.00           H  
HETATM   45  H   UNL     1     -11.967   1.947  -0.262  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.906   1.997   1.086  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.888   3.841   0.097  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.748   3.051   1.440  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.111  -0.175   0.050  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.076   1.360   1.474  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.115  -0.431   1.935  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.673  -1.591  -0.708  1.00  0.00           H  
HETATM   53  H   UNL     1       1.059  -1.470   1.801  1.00  0.00           H  
HETATM   54  H   UNL     1       1.586  -2.147   0.241  1.00  0.00           H  
HETATM   55  H   UNL     1       1.159   0.038  -0.851  1.00  0.00           H  
HETATM   56  H   UNL     1       0.632   0.715   0.709  1.00  0.00           H  
HETATM   57  H   UNL     1       2.870   0.246   1.668  1.00  0.00           H  
HETATM   58  H   UNL     1       3.397  -0.431   0.108  1.00  0.00           H  
HETATM   59  H   UNL     1       2.970   1.755  -0.984  1.00  0.00           H  
HETATM   60  H   UNL     1       2.443   2.431   0.576  1.00  0.00           H  
HETATM   61  H   UNL     1       5.028   1.341   0.906  1.00  0.00           H  
HETATM   62  H   UNL     1       6.610   3.358   1.526  1.00  0.00           H  
HETATM   63  H   UNL     1       7.102   1.521  -0.115  1.00  0.00           H  
HETATM   64  H   UNL     1       7.514   3.808  -2.179  1.00  0.00           H  
HETATM   65  H   UNL     1       9.118   3.812  -0.066  1.00  0.00           H  
HETATM   66  H   UNL     1       9.531   0.804  -0.368  1.00  0.00           H  
HETATM   67  H   UNL     1       9.610   1.974  -1.707  1.00  0.00           H  
HETATM   68  H   UNL     1      11.874   1.475  -0.828  1.00  0.00           H  
HETATM   69  H   UNL     1      11.441   3.178  -0.548  1.00  0.00           H  
HETATM   70  H   UNL     1      11.363   2.008   0.791  1.00  0.00           H  
HETATM   71  H   UNL     1       9.980   2.659   1.953  1.00  0.00           H  
HETATM   72  H   UNL     1       8.291   3.171   2.182  1.00  0.00           H  
HETATM   73  H   UNL     1       8.665   1.466   1.833  1.00  0.00           H  
HETATM   74  H   UNL     1       6.648   5.045  -0.837  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.361  -5.617   1.657  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.547  -5.700   0.332  1.00  0.00           H  
HETATM   77  H   UNL     1       1.883  -6.500   1.373  1.00  0.00           H  
HETATM   78  H   UNL     1       3.316  -8.117   0.192  1.00  0.00           H  
HETATM   79  H   UNL     1       2.611  -9.025  -1.986  1.00  0.00           H  
HETATM   80  H   UNL     1       0.473  -8.317  -2.982  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.964  -6.707  -1.796  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.297  -1.168   2.671  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.881  -0.298   3.308  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.482   0.480   3.317  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.847   3.891  -2.133  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.908   3.843  -3.480  1.00  0.00           H  
CONECT    1    2    2   43   44                                       
CONECT    2    1    1    3   45                                       
CONECT    3    2    4    4   46                                       
CONECT    4    3    3    5   42                                       
CONECT    5    4    6   47   48                                       
CONECT    6    5    7                                                 
CONECT    7    6    8   41   41                                       
CONECT    8    7    9   49                                            
CONECT    9    8   10   40   50                                       
CONECT   10    9   11   39   39                                       
CONECT   11   10   12   51                                            
CONECT   12   11   13   28   52                                       
CONECT   13   12   14   53   54                                       
CONECT   14   13   15   55   56                                       
CONECT   15   14   16   57   58                                       
CONECT   16   15   17   59   60                                       
CONECT   17   16   18   61                                            
CONECT   18   17   19   37   37                                       
CONECT   19   18   20   27   62                                       
CONECT   20   19   21   23   63                                       
CONECT   21   20   22   22   64                                       
CONECT   22   21   21                                                 
CONECT   23   20   24   26   65                                       
CONECT   24   23   25   66   67                                       
CONECT   25   24   68   69   70                                       
CONECT   26   23   71   72   73                                       
CONECT   27   19   74                                                 
CONECT   28   12   29   38   38                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   75   76                                       
CONECT   31   30   32   32   36                                       
CONECT   32   31   31   33   77                                       
CONECT   33   32   34   34   78                                       
CONECT   34   33   33   35   79                                       
CONECT   35   34   36   36   80                                       
CONECT   36   31   35   35   81                                       
CONECT   37   18   18                                                 
CONECT   38   28   28                                                 
CONECT   39   10   10                                                 
CONECT   40    9   82   83   84                                       
CONECT   41    7    7                                                 
CONECT   42    4   43   43   85                                       
CONECT   43    1   42   42   86                                       
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   40                                                      
CONECT   83   40                                                      
CONECT   84   40                                                      
CONECT   85   42                                                      
CONECT   86   43                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
