COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.526   3.570  -1.455  1.00  0.00           C  
HETATM    2  C   UNL     1       3.256   4.390  -0.598  1.00  0.00           C  
HETATM    3  C   UNL     1       3.813   3.893   0.541  1.00  0.00           C  
HETATM    4  C   UNL     1       2.743   0.336   0.307  1.00  0.00           C  
HETATM    5  C   UNL     1       3.309  -0.161   1.462  1.00  0.00           C  
HETATM    6  C   UNL     1       4.037   0.668   2.311  1.00  0.00           C  
HETATM    7  C   UNL     1       4.210   1.988   2.027  1.00  0.00           C  
HETATM    8  C   UNL     1       0.646  -0.656  -0.350  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.262   0.188  -0.988  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.996  -0.949   0.016  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.449  -1.105   0.215  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.738   0.120   0.210  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.314   1.503   0.046  1.00  0.00           C  
HETATM   14  C   UNL     1       0.393  -3.507   1.967  1.00  0.00           C  
HETATM   15  C   UNL     1       3.810  -3.530  -2.122  1.00  0.00           C  
HETATM   16  C   UNL     1       4.686  -2.827  -1.083  1.00  0.00           C  
HETATM   17  C   UNL     1       3.650   2.534   0.859  1.00  0.00           C  
HETATM   18  C   UNL     1       2.906   1.702  -0.013  1.00  0.00           C  
HETATM   19  C   UNL     1       2.348   2.249  -1.178  1.00  0.00           C  
HETATM   20  N   UNL     1       2.016  -0.501  -0.536  1.00  0.00           N  
HETATM   21  N   UNL     1      -1.554   0.014  -0.784  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.409  -0.179  -0.487  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.709  -0.784  -1.024  1.00  0.00           C  
HETATM   24  O   UNL     1      -7.478   1.819   0.634  1.00  0.00           O  
HETATM   25  O   UNL     1      -5.727   2.327  -0.615  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.871  -1.979   0.942  1.00  0.00           O  
HETATM   27  N   UNL     1      -1.166  -1.775   0.643  1.00  0.00           N  
HETATM   28  C   UNL     1       0.143  -1.664   0.489  1.00  0.00           C  
HETATM   29  O   UNL     1       0.986  -2.510   1.131  1.00  0.00           O  
HETATM   30  C   UNL     1       2.694  -1.218  -1.618  1.00  0.00           C  
HETATM   31  C   UNL     1       3.177  -2.577  -1.106  1.00  0.00           C  
HETATM   32  H   UNL     1       2.091   3.990  -2.350  1.00  0.00           H  
HETATM   33  H   UNL     1       3.383   5.435  -0.840  1.00  0.00           H  
HETATM   34  H   UNL     1       4.378   4.540   1.196  1.00  0.00           H  
HETATM   35  H   UNL     1       3.185  -1.204   1.711  1.00  0.00           H  
HETATM   36  H   UNL     1       4.471   0.257   3.210  1.00  0.00           H  
HETATM   37  H   UNL     1       4.779   2.615   2.698  1.00  0.00           H  
HETATM   38  H   UNL     1       0.088   0.974  -1.640  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.918  -0.353   1.176  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.190  -3.024   2.750  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.259  -4.142   1.367  1.00  0.00           H  
HETATM   42  H   UNL     1       1.177  -4.115   2.419  1.00  0.00           H  
HETATM   43  H   UNL     1       3.883  -3.190  -3.155  1.00  0.00           H  
HETATM   44  H   UNL     1       3.630  -4.597  -1.990  1.00  0.00           H  
HETATM   45  H   UNL     1       5.083  -3.432  -0.267  1.00  0.00           H  
HETATM   46  H   UNL     1       5.335  -2.024  -1.432  1.00  0.00           H  
HETATM   47  H   UNL     1       1.775   1.626  -1.849  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.951   0.624  -1.063  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.869  -1.851  -0.870  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.106  -0.379  -1.955  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.808   2.718   0.501  1.00  0.00           H  
HETATM   52  H   UNL     1       2.001  -1.367  -2.446  1.00  0.00           H  
HETATM   53  H   UNL     1       3.549  -0.635  -1.961  1.00  0.00           H  
HETATM   54  H   UNL     1       2.581  -3.016  -0.307  1.00  0.00           H  
CONECT    1    2    2   19   32                                       
CONECT    2    1    1    3   33                                       
CONECT    3    2   17   17   34                                       
CONECT    4   18   20    5    5                                       
CONECT    5    4    4    6   35                                       
CONECT    6    7    7    5   36                                       
CONECT    7   17    6    6   37                                       
CONECT    8    9   20   28   28                                       
CONECT    9   21   21    8   38                                       
CONECT   10   21   11   27   27                                       
CONECT   11   10   22   26   26                                       
CONECT   12   23   22   13   39                                       
CONECT   13   12   25   25   24                                       
CONECT   14   29   40   41   42                                       
CONECT   15   16   31   43   44                                       
CONECT   16   15   31   45   46                                       
CONECT   17    3    3   18    7                                       
CONECT   18   19   19   17    4                                       
CONECT   19    1   18   18   47                                       
CONECT   20    4   30    8                                            
CONECT   21    9    9   10                                            
CONECT   22   23   11   12   48                                       
CONECT   23   22   12   49   50                                       
CONECT   24   13   51                                                 
CONECT   25   13   13                                                 
CONECT   26   11   11                                                 
CONECT   27   10   10   28                                            
CONECT   28    8    8   27   29                                       
CONECT   29   28   14                                                 
CONECT   30   31   20   52   53                                       
CONECT   31   16   15   30   54                                       
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   19                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
