COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.033  -3.033  -0.332  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.228  -1.106   0.081  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.393  -0.133  -0.467  1.00  0.00           C  
HETATM    4  C   UNL     1       1.313  -0.020   1.046  1.00  0.00           C  
HETATM    5  C   UNL     1       3.565   0.868   1.069  1.00  0.00           C  
HETATM    6  C   UNL     1       1.710   2.289   0.434  1.00  0.00           C  
HETATM    7  C   UNL     1       2.481   3.144  -0.539  1.00  0.00           C  
HETATM    8  C   UNL     1       0.563  -4.417  -0.344  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.457  -1.992  -0.715  1.00  0.00           O  
HETATM   10  N   UNL     1      -3.133  -0.127   0.279  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.184   0.537  -1.827  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.440   0.623   0.309  1.00  0.00           C  
HETATM   13  C   UNL     1       5.626  -0.535   1.399  1.00  0.00           C  
HETATM   14  C   UNL     1       4.298  -0.401   0.631  1.00  0.00           C  
HETATM   15  C   UNL     1       4.661  -0.313  -0.865  1.00  0.00           C  
HETATM   16  C   UNL     1       6.051  -0.991  -0.960  1.00  0.00           C  
HETATM   17  C   UNL     1       6.750  -0.523   0.342  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.232  -2.450  -1.377  1.00  0.00           O  
HETATM   19  N   UNL     1      -0.351  -2.446   0.838  1.00  0.00           N  
HETATM   20  C   UNL     1       0.044  -0.119   0.196  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.931  -1.100   0.849  1.00  0.00           C  
HETATM   22  N   UNL     1      -6.687   0.749  -0.187  1.00  0.00           N  
HETATM   23  O   UNL     1       2.234   4.461  -0.617  1.00  0.00           O  
HETATM   24  N   UNL     1       2.249   0.923   0.418  1.00  0.00           N  
HETATM   25  O   UNL     1       3.320   2.644  -1.250  1.00  0.00           O  
HETATM   26  O   UNL     1      -5.161   1.118   1.381  1.00  0.00           O  
HETATM   27  O   UNL     1      -7.671   1.459   0.542  1.00  0.00           O  
HETATM   28  H   UNL     1      -4.723  -1.161  -0.616  1.00  0.00           H  
HETATM   29  H   UNL     1       1.055   0.335   2.044  1.00  0.00           H  
HETATM   30  H   UNL     1       1.780  -1.002   1.118  1.00  0.00           H  
HETATM   31  H   UNL     1       3.436   0.859   2.151  1.00  0.00           H  
HETATM   32  H   UNL     1       4.149   1.742   0.781  1.00  0.00           H  
HETATM   33  H   UNL     1       1.805   2.706   1.437  1.00  0.00           H  
HETATM   34  H   UNL     1       0.659   2.269   0.146  1.00  0.00           H  
HETATM   35  H   UNL     1       0.748  -4.725  -1.373  1.00  0.00           H  
HETATM   36  H   UNL     1       1.504  -4.411   0.208  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.129  -5.115   0.126  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.950   0.581   0.916  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.426  -0.010  -2.388  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.121   0.533  -2.382  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.854   1.565  -1.678  1.00  0.00           H  
HETATM   42  H   UNL     1       5.747   0.305   2.082  1.00  0.00           H  
HETATM   43  H   UNL     1       5.644  -1.473   1.953  1.00  0.00           H  
HETATM   44  H   UNL     1       3.672  -1.275   0.814  1.00  0.00           H  
HETATM   45  H   UNL     1       3.931  -0.854  -1.467  1.00  0.00           H  
HETATM   46  H   UNL     1       4.720   0.728  -1.183  1.00  0.00           H  
HETATM   47  H   UNL     1       5.951  -2.076  -0.975  1.00  0.00           H  
HETATM   48  H   UNL     1       6.594  -0.639  -1.837  1.00  0.00           H  
HETATM   49  H   UNL     1       7.148   0.484   0.221  1.00  0.00           H  
HETATM   50  H   UNL     1       7.543  -1.217   0.620  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.196  -2.914   1.674  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.423   0.863   0.124  1.00  0.00           H  
HETATM   53  H   UNL     1       0.302  -0.473  -0.802  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.120  -0.794   1.878  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.910   0.354  -1.044  1.00  0.00           H  
HETATM   56  H   UNL     1       2.753   4.968  -1.256  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.533   1.497   0.106  1.00  0.00           H  
CONECT    1   19    8   18   18                                       
CONECT    2    9    9   10   21                                       
CONECT    3   11   12   10   28                                       
CONECT    4   20   24   29   30                                       
CONECT    5   14   24   31   32                                       
CONECT    6   24    7   33   34                                       
CONECT    7   25   25    6   23                                       
CONECT    8    1   35   36   37                                       
CONECT    9    2    2                                                 
CONECT   10    3    2   38                                            
CONECT   11    3   39   40   41                                       
CONECT   12   22    3   26   26                                       
CONECT   13   17   14   42   43                                       
CONECT   14   15   13    5   44                                       
CONECT   15   16   14   45   46                                       
CONECT   16   15   17   47   48                                       
CONECT   17   16   13   49   50                                       
CONECT   18    1    1                                                 
CONECT   19   21    1   51                                            
CONECT   20    4   21   52   53                                       
CONECT   21    2   20   19   54                                       
CONECT   22   27   12   55                                            
CONECT   23    7   56                                                 
CONECT   24    4    5    6                                            
CONECT   25    7    7                                                 
CONECT   26   12   12                                                 
CONECT   27   22   57                                                 
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   27                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
