COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.458   1.830  -0.742  1.00  0.00           N  
HETATM    2  N   UNL     1       0.581   1.045  -1.496  1.00  0.00           N  
HETATM    3  C   UNL     1       0.951   0.701  -0.266  1.00  0.00           C  
HETATM    4  C   UNL     1       0.068   0.932   0.802  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.176   1.520   0.519  1.00  0.00           C  
HETATM    6  C   UNL     1       1.856   0.024   1.627  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.401   0.544   2.274  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.104  -0.447   1.344  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.310   2.388   0.997  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.224  -0.344  -0.590  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.441  -2.522  -1.562  1.00  0.00           C  
HETATM   12  C1* UNL     1       3.272  -0.295  -0.438  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.595   1.594  -1.714  1.00  0.00           C  
HETATM   14  C2* UNL     1       4.245   0.897  -0.623  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.013   1.397   0.066  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.034  -0.733   0.012  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.924  -1.240  -1.375  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.251  -2.908  -0.973  1.00  0.00           C  
HETATM   19  C3* UNL     1       5.608   0.181  -0.781  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.549  -2.019  -0.183  1.00  0.00           C  
HETATM   21  C4* UNL     1       5.381  -1.208  -0.153  1.00  0.00           C  
HETATM   22  C5* UNL     1       6.369  -1.428   0.994  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.087   1.772   1.530  1.00  0.00           N  
HETATM   24  N   UNL     1      -4.327   0.169   0.810  1.00  0.00           N  
HETATM   25  N   UNL     1       0.682   0.496   1.928  1.00  0.00           N  
HETATM   26  N   UNL     1       2.069   0.128   0.284  1.00  0.00           N  
HETATM   27  O2* UNL     1       3.921   1.642  -1.799  1.00  0.00           O  
HETATM   28  O3* UNL     1       5.951   0.058  -2.163  1.00  0.00           O  
HETATM   29  O4* UNL     1       4.035  -1.233   0.350  1.00  0.00           O  
HETATM   30  O5* UNL     1       6.230  -2.759   1.494  1.00  0.00           O  
HETATM   31  H   UNL     1       2.559  -0.389   2.335  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.056   0.784   3.112  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.479   0.100   2.649  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.439  -0.707   0.520  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.364  -1.347   1.900  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.050   3.289   0.440  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.975   2.649   1.820  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.604   0.656  -0.441  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.988  -3.219  -2.179  1.00  0.00           H  
HETATM   40  H1* UNL     1       3.006  -0.727  -1.403  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.865   1.861  -2.725  1.00  0.00           H  
HETATM   42  H2* UNL     1       4.243   1.541   0.256  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.935   1.842  -0.308  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.358   1.158  -0.772  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.850  -0.939  -1.843  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.869  -3.906  -1.132  1.00  0.00           H  
HETATM   47  H3* UNL     1       6.387   0.720  -0.243  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.624  -2.325   0.283  1.00  0.00           H  
HETATM   49  H4* UNL     1       5.509  -1.982  -0.909  1.00  0.00           H  
HETATM   50 H5*1 UNL     1       7.386  -1.281   0.630  1.00  0.00           H  
HETATM   51 H5*2 UNL     1       6.163  -0.716   1.793  1.00  0.00           H  
HETATM   52  H2* UNL     1       4.502   2.398  -1.957  1.00  0.00           H  
HETATM   53  H3* UNL     1       6.797  -0.384  -2.320  1.00  0.00           H  
HETATM   54  H5* UNL     1       6.827  -2.970   2.224  1.00  0.00           H  
CONECT    1   13   13    5                                            
CONECT    2    3    3   13                                            
CONECT    3   26    2    2    4                                       
CONECT    4    3   25    5    5                                       
CONECT    5    4    4    1   23                                       
CONECT    6   26   25   25   31                                       
CONECT    7   23    8   32   33                                       
CONECT    8    7   24   34   35                                       
CONECT    9   23   15   36   37                                       
CONECT   10   17   17   16   38                                       
CONECT   11   17   18   18   39                                       
CONECT   12   29   14   26   40                                       
CONECT   13    2    1    1   41                                       
CONECT   14   19   12   27   42                                       
CONECT   15    9   24   43   44                                       
CONECT   16   10   24   20   20                                       
CONECT   17   10   10   11   45                                       
CONECT   18   11   11   20   46                                       
CONECT   19   21   28   14   47                                       
CONECT   20   16   16   18   48                                       
CONECT   21   22   19   29   49                                       
CONECT   22   30   21   50   51                                       
CONECT   23    5    9    7                                            
CONECT   24   15    8   16                                            
CONECT   25    6    6    4                                            
CONECT   26   12    3    6                                            
CONECT   27   14   52                                                 
CONECT   28   19   53                                                 
CONECT   29   21   12                                                 
CONECT   30   22   54                                                 
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
