COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.366  -1.443  -0.273  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.026  -1.387  -0.133  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.780  -2.557  -0.170  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.144  -2.512  -0.035  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.806  -1.279   0.144  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.640   2.020  -0.164  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.163  -0.096   0.829  1.00  0.00           C  
HETATM    8  C   UNL     1       3.185   0.599  -1.563  1.00  0.00           C  
HETATM    9  C   UNL     1       4.564   0.594  -1.595  1.00  0.00           C  
HETATM   10  C   UNL     1       5.269  -0.437  -1.000  1.00  0.00           C  
HETATM   11  O   UNL     1       0.401   0.468  -1.405  1.00  0.00           O  
HETATM   12  C   UNL     1       1.023  -0.439  -0.887  1.00  0.00           C  
HETATM   13  N   UNL     1      -5.126  -1.045   0.293  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.509   0.176   0.444  1.00  0.00           C  
HETATM   15  S   UNL     1      -4.125   1.259   0.413  1.00  0.00           S  
HETATM   16  C   UNL     1      -3.040  -0.110   0.181  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.656  -0.168   0.048  1.00  0.00           C  
HETATM   18  N   UNL     1      -6.820   0.576   0.607  1.00  0.00           N  
HETATM   19  C   UNL     1      -7.202   1.559  -0.417  1.00  0.00           C  
HETATM   20  O   UNL     1      -9.505   0.881  -0.157  1.00  0.00           O  
HETATM   21  C   UNL     1      -7.730  -0.578   0.586  1.00  0.00           C  
HETATM   22  C   UNL     1       2.501  -0.440  -0.929  1.00  0.00           C  
HETATM   23  C   UNL     1       6.776  -0.435  -1.038  1.00  0.00           C  
HETATM   24  N   UNL     1       7.293   0.271   0.136  1.00  0.00           N  
HETATM   25  C   UNL     1       7.590  -0.283   1.333  1.00  0.00           C  
HETATM   26  O   UNL     1       7.485  -1.450   1.650  1.00  0.00           O  
HETATM   27  C   UNL     1       8.076   0.844   2.180  1.00  0.00           C  
HETATM   28  N   UNL     1       8.021   1.909   1.435  1.00  0.00           N  
HETATM   29  C   UNL     1       7.564   1.587   0.215  1.00  0.00           C  
HETATM   30  O   UNL     1       7.407   2.378  -0.693  1.00  0.00           O  
HETATM   31  C   UNL     1       4.598  -1.469  -0.369  1.00  0.00           C  
HETATM   32  C   UNL     1       3.219  -1.480  -0.335  1.00  0.00           C  
HETATM   33  H   UNL     1       0.858  -2.204   0.075  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.286  -3.508  -0.307  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.716  -3.428  -0.066  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.695   2.526   0.800  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.946   2.705  -0.954  1.00  0.00           H  
HETATM   38  H   UNL     1      -9.234   0.348   1.822  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.848  -0.941   0.759  1.00  0.00           H  
HETATM   40  H   UNL     1       2.635   1.406  -2.024  1.00  0.00           H  
HETATM   41  H   UNL     1       5.094   1.397  -2.086  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.072   0.740   0.082  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.135   1.101  -1.404  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.531   2.417  -0.367  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.445  -1.281   1.369  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.671  -1.070  -0.384  1.00  0.00           H  
HETATM   47  H   UNL     1       7.141  -1.462  -1.035  1.00  0.00           H  
HETATM   48  H   UNL     1       7.115   0.069  -1.944  1.00  0.00           H  
HETATM   49  H   UNL     1       8.403   0.789   3.208  1.00  0.00           H  
HETATM   50  H   UNL     1       5.154  -2.271   0.093  1.00  0.00           H  
HETATM   51  H   UNL     1       2.696  -2.286   0.157  1.00  0.00           H  
CONECT    1    2   12   33                                            
CONECT    2   17    1    3    3                                       
CONECT    3    2    2    4   34                                       
CONECT    4    5    5    3   35                                       
CONECT    5   16   13    4    4                                       
CONECT    6   19   20   36   37                                       
CONECT    7   20   21   38   39                                       
CONECT    8    9    9   22   40                                       
CONECT    9    8    8   10   41                                       
CONECT   10    9   23   31   31                                       
CONECT   11   12   12                                                 
CONECT   12    1   22   11   11                                       
CONECT   13   14   14    5                                            
CONECT   14   15   18   13   13                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   17    5                                       
CONECT   17   16   16    2   42                                       
CONECT   18   19   14   21                                            
CONECT   19    6   18   43   44                                       
CONECT   20    6    7                                                 
CONECT   21   18    7   45   46                                       
CONECT   22    8   12   32   32                                       
CONECT   23   24   10   47   48                                       
CONECT   24   25   29   23                                            
CONECT   25   27   26   26   24                                       
CONECT   26   25   25                                                 
CONECT   27   28   28   25   49                                       
CONECT   28   27   27   29                                            
CONECT   29   28   24   30   30                                       
CONECT   30   29   29                                                 
CONECT   31   10   10   32   50                                       
CONECT   32   22   22   31   51                                       
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   27                                                      
CONECT   50   31                                                      
CONECT   51   32                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
