COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.729   0.607   0.049  1.00  0.00           C  
HETATM    2  C   UNL     1       2.932   1.124  -0.843  1.00  0.00           C  
HETATM    3  C   UNL     1       4.208   1.418  -0.097  1.00  0.00           C  
HETATM    4  C   UNL     1       4.746   2.692  -0.101  1.00  0.00           C  
HETATM    5  C   UNL     1       5.923   2.917   0.600  1.00  0.00           C  
HETATM    6  C   UNL     1       6.519   1.871   1.275  1.00  0.00           C  
HETATM    7  C   UNL     1       4.859   0.411   0.610  1.00  0.00           C  
HETATM    8  C   UNL     1       6.250  -2.815   0.380  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.094   0.467   0.500  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.771   0.902  -1.161  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.325  -0.343   0.813  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.500   0.842   0.484  1.00  0.00           N  
HETATM   13  N   UNL     1      -1.980   0.374  -1.231  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.004   0.373  -2.127  1.00  0.00           C  
HETATM   15  C   UNL     1       0.292   0.618  -1.716  1.00  0.00           C  
HETATM   16  C   UNL     1       0.526   0.856  -0.360  1.00  0.00           C  
HETATM   17  N   UNL     1       1.810   1.106   0.098  1.00  0.00           N  
HETATM   18  N   UNL     1      -2.776   0.599   0.955  1.00  0.00           N  
HETATM   19  N   UNL     1       5.984   0.665   1.262  1.00  0.00           N  
HETATM   20  N   UNL     1       4.327  -0.873   0.627  1.00  0.00           N  
HETATM   21  S   UNL     1       4.860  -2.005  -0.457  1.00  0.00           S  
HETATM   22  C   UNL     1       3.294  -1.224   1.605  1.00  0.00           C  
HETATM   23  O   UNL     1       5.321  -1.241  -1.563  1.00  0.00           O  
HETATM   24  O   UNL     1       3.767  -2.903  -0.592  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.030  -0.221   1.263  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.473   1.027  -0.713  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.713   0.214  -0.399  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.553  -1.010   1.389  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.631  -0.750   0.358  1.00  0.00           C  
HETATM   30  N   UNL     1      -8.067  -0.042  -0.635  1.00  0.00           N  
HETATM   31  O   UNL     1      -9.787  -1.112   0.418  1.00  0.00           O  
HETATM   32  H   UNL     1       2.765   1.896  -1.594  1.00  0.00           H  
HETATM   33  H   UNL     1       3.012   0.153  -1.332  1.00  0.00           H  
HETATM   34  H   UNL     1       4.261   3.494  -0.637  1.00  0.00           H  
HETATM   35  H   UNL     1       6.369   3.901   0.617  1.00  0.00           H  
HETATM   36  H   UNL     1       7.435   2.041   1.822  1.00  0.00           H  
HETATM   37  H   UNL     1       5.901  -3.271   1.306  1.00  0.00           H  
HETATM   38  H   UNL     1       6.668  -3.584  -0.269  1.00  0.00           H  
HETATM   39  H   UNL     1       7.018  -2.075   0.608  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.059   1.341  -2.105  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.219   0.181  -3.168  1.00  0.00           H  
HETATM   42  H   UNL     1       1.105   0.623  -2.426  1.00  0.00           H  
HETATM   43  H   UNL     1       1.965   1.270   1.041  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.597   0.686   1.904  1.00  0.00           H  
HETATM   45  H   UNL     1       2.310  -1.105   1.153  1.00  0.00           H  
HETATM   46  H   UNL     1       3.427  -2.260   1.918  1.00  0.00           H  
HETATM   47  H   UNL     1       3.377  -0.570   2.473  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.742  -0.659   2.207  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.748   1.562  -1.308  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.386  -2.081   1.505  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.821  -0.558   2.344  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.544   0.257  -1.425  1.00  0.00           H  
CONECT    1   13   18   12   12                                       
CONECT    2   17    3   32   33                                       
CONECT    3    4    2    7    7                                       
CONECT    4    5    5    3   34                                       
CONECT    5    4    4    6   35                                       
CONECT    6    5   19   19   36                                       
CONECT    7    3    3   19   20                                       
CONECT    8   21   37   38   39                                       
CONECT    9   18   25   25   26                                       
CONECT   10   26   26   27   40                                       
CONECT   11   25   28   27   27                                       
CONECT   12    1    1   16                                            
CONECT   13   14   14    1                                            
CONECT   14   13   13   15   41                                       
CONECT   15   14   16   16   42                                       
CONECT   16   15   15   12   17                                       
CONECT   17   16    2   43                                            
CONECT   18    1    9   44                                            
CONECT   19    6    6    7                                            
CONECT   20    7   22   21                                            
CONECT   21   20   24   24    8                                       
CONECT   21   23   23                                                 
CONECT   22   20   45   46   47                                       
CONECT   23   21   21                                                 
CONECT   24   21   21                                                 
CONECT   25    9    9   11   48                                       
CONECT   26    9   10   10   49                                       
CONECT   27   11   11   10   30                                       
CONECT   28   11   29   50   51                                       
CONECT   29   28   30   31   31                                       
CONECT   30   27   29   52                                            
CONECT   31   29   29                                                 
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40   10                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   30                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
