COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.774   2.276  -3.444  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.243  -2.956   0.124  1.00  0.00           C  
HETATM    3  O   UNL     1       5.999   2.177   0.899  1.00  0.00           O  
HETATM    4  C   UNL     1       4.563   0.691  -1.268  1.00  0.00           C  
HETATM    5  C   UNL     1       3.475   0.788  -2.122  1.00  0.00           C  
HETATM    6  C   UNL     1       2.313   0.083  -1.850  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.240  -0.841  -0.435  1.00  0.00           C  
HETATM    8  C   UNL     1       1.049  -2.853  -0.136  1.00  0.00           C  
HETATM    9  C   UNL     1       0.996  -1.482  -0.426  1.00  0.00           C  
HETATM   10  C   UNL     1       2.238  -0.725  -0.718  1.00  0.00           C  
HETATM   11  C   UNL     1       3.332  -0.823   0.139  1.00  0.00           C  
HETATM   12  C   UNL     1       4.495  -0.119  -0.141  1.00  0.00           C  
HETATM   13  C   UNL     1       4.533   1.125   2.865  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.380  -1.598  -0.154  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.721  -0.964  -0.152  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.854  -1.726   0.130  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.099  -1.134   0.131  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.850   0.397  -0.426  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.096   0.986  -0.418  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.226   0.222  -0.149  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.535  -0.164   0.164  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.906   0.513   0.083  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.902   2.620   0.725  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.532   1.944   0.805  1.00  0.00           C  
HETATM   25  N   UNL     1       2.274  -3.505  -0.122  1.00  0.00           N  
HETATM   26  N   UNL     1       5.593  -0.215   0.717  1.00  0.00           N  
HETATM   27  N   UNL     1      -0.057  -3.531   0.125  1.00  0.00           N  
HETATM   28  N   UNL     1      -6.487   0.820  -0.142  1.00  0.00           N  
HETATM   29  N   UNL     1      -8.950   1.636   1.030  1.00  0.00           N  
HETATM   30  O   UNL     1       7.112   0.592   2.438  1.00  0.00           O  
HETATM   31  O   UNL     1       3.547   1.577  -3.226  1.00  0.00           O  
HETATM   32  S   UNL     1       5.955   1.034   1.742  1.00  0.00           S  
HETATM   33  H   UNL     1       4.698   2.867  -4.357  1.00  0.00           H  
HETATM   34  H   UNL     1       4.972   2.936  -2.600  1.00  0.00           H  
HETATM   35  H   UNL     1       5.589   1.558  -3.543  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.120  -3.545   0.347  1.00  0.00           H  
HETATM   37  H   UNL     1       5.467   1.242  -1.482  1.00  0.00           H  
HETATM   38  H   UNL     1       1.466   0.160  -2.516  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.316   0.213  -0.655  1.00  0.00           H  
HETATM   40  H   UNL     1       3.278  -1.449   1.017  1.00  0.00           H  
HETATM   41  H   UNL     1       4.481   0.213   3.460  1.00  0.00           H  
HETATM   42  H   UNL     1       4.646   1.984   3.526  1.00  0.00           H  
HETATM   43  H   UNL     1       3.617   1.232   2.283  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.756  -2.780   0.346  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.977  -1.724   0.349  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.974   0.990  -0.644  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.197   2.039  -0.635  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.383  -0.558   1.168  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.489  -0.980  -0.558  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.070   0.883  -0.928  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.683  -0.208   0.338  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.948   3.436   1.446  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.055   3.015  -0.280  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.755   2.664   0.550  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.368   1.574   1.817  1.00  0.00           H  
HETATM   56  H   UNL     1       3.088  -3.013  -0.312  1.00  0.00           H  
HETATM   57  H   UNL     1       2.316  -4.454   0.078  1.00  0.00           H  
HETATM   58  H   UNL     1       6.143  -1.014   0.712  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.862   2.069   1.035  1.00  0.00           H  
CONECT    1   31   33   34   35                                       
CONECT    2   14   14   27   36                                       
CONECT    3   32   32                                                 
CONECT    4    5    5   12   37                                       
CONECT    5    6   31    4    4                                       
CONECT    6   10   10    5   38                                       
CONECT    7   14    9    9   39                                       
CONECT    8   27   27    9   25                                       
CONECT    9    7    7    8   10                                       
CONECT   10    9    6    6   11                                       
CONECT   11   10   12   12   40                                       
CONECT   12   11   11    4   26                                       
CONECT   13   32   41   42   43                                       
CONECT   14   15    2    2    7                                       
CONECT   15   18   18   16   14                                       
CONECT   16   17   17   15   44                                       
CONECT   17   20   16   16   45                                       
CONECT   18   19   15   15   46                                       
CONECT   19   20   20   18   47                                       
CONECT   20   28   19   19   17                                       
CONECT   21   22   28   48   49                                       
CONECT   22   29   21   50   51                                       
CONECT   23   29   24   52   53                                       
CONECT   24   23   28   54   55                                       
CONECT   25    8   56   57                                            
CONECT   26   12   32   58                                            
CONECT   27    2    8    8                                            
CONECT   28   21   24   20                                            
CONECT   29   22   23   59                                            
CONECT   30   32   32                                                 
CONECT   31    5    1                                                 
CONECT   32   13   30   30   26                                       
CONECT   32    3    3                                                 
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    4                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   29                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
