COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.986  -1.917   0.398  1.00  0.00           C  
HETATM    2  C   UNL     1       1.454  -3.468  -0.651  1.00  0.00           C  
HETATM    3  C   UNL     1       0.096   0.725   0.232  1.00  0.00           C  
HETATM    4  C   UNL     1       0.027   4.482  -0.008  1.00  0.00           C  
HETATM    5  C   UNL     1       2.249   3.846   0.001  1.00  0.00           C  
HETATM    6  C   UNL     1       3.134   1.731   0.122  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.092  -1.122   0.380  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.614  -1.955   1.553  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.515  -2.575   0.157  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.618  -0.813   0.347  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.689  -1.835   0.404  1.00  0.00           C  
HETATM   12  C   UNL     1       0.669  -1.504   0.381  1.00  0.00           C  
HETATM   13  C   UNL     1       3.188  -1.178  -0.926  1.00  0.00           C  
HETATM   14  C   UNL     1       4.020  -3.040   0.521  1.00  0.00           C  
HETATM   15  C   UNL     1       2.503  -4.575  -0.518  1.00  0.00           C  
HETATM   16  C   UNL     1       0.523   2.141   0.138  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.414   3.173   0.080  1.00  0.00           C  
HETATM   18  C   UNL     1       1.885   2.488   0.091  1.00  0.00           C  
HETATM   19  C   UNL     1       4.134   2.625   0.042  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.374   0.761  -1.597  1.00  0.00           N  
HETATM   21  N   UNL     1       1.635  -2.495   0.436  1.00  0.00           N  
HETATM   22  N   UNL     1       1.019  -0.226   0.290  1.00  0.00           N  
HETATM   23  N   UNL     1       1.309   4.780  -0.044  1.00  0.00           N  
HETATM   24  N   UNL     1       3.622   3.892  -0.027  1.00  0.00           N  
HETATM   25  N   UNL     1      -1.199   0.440   0.262  1.00  0.00           N  
HETATM   26  O   UNL     1       3.809  -3.991  -0.526  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.367  -0.391  -0.808  1.00  0.00           O  
HETATM   28  O   UNL     1      -4.231   1.279   0.620  1.00  0.00           O  
HETATM   29  S   UNL     1      -4.179   0.176  -0.274  1.00  0.00           S  
HETATM   30  H   UNL     1       3.107  -1.219   1.226  1.00  0.00           H  
HETATM   31  H   UNL     1       1.574  -2.967  -1.612  1.00  0.00           H  
HETATM   32  H   UNL     1       0.456  -3.902  -0.590  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.700   5.279  -0.052  1.00  0.00           H  
HETATM   34  H   UNL     1       3.234   0.658   0.188  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.890  -2.280   2.300  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.609  -1.724   1.931  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.445  -2.752  -0.382  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.726  -3.308  -0.013  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.005  -2.865   0.474  1.00  0.00           H  
HETATM   40  H   UNL     1       2.450  -0.381  -1.014  1.00  0.00           H  
HETATM   41  H   UNL     1       4.190  -0.749  -0.954  1.00  0.00           H  
HETATM   42  H   UNL     1       3.069  -1.876  -1.754  1.00  0.00           H  
HETATM   43  H   UNL     1       5.023  -2.622   0.436  1.00  0.00           H  
HETATM   44  H   UNL     1       3.910  -3.531   1.487  1.00  0.00           H  
HETATM   45  H   UNL     1       2.349  -5.111   0.418  1.00  0.00           H  
HETATM   46  H   UNL     1       2.409  -5.268  -1.354  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.471   2.954   0.104  1.00  0.00           H  
HETATM   48  H   UNL     1       5.186   2.380   0.040  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.855   1.577  -1.528  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.421   0.286  -2.442  1.00  0.00           H  
HETATM   51  H   UNL     1       4.151   4.703  -0.091  1.00  0.00           H  
CONECT    1   13   14   21   30                                       
CONECT    2   21   15   31   32                                       
CONECT    3   16   22   22   25                                       
CONECT    4   23   17   17   33                                       
CONECT    5   24   23   23   18                                       
CONECT    6   19   19   18   34                                       
CONECT    7   10   29    8    9                                       
CONECT    8    7    9   35   36                                       
CONECT    9    7    8   37   38                                       
CONECT   10   25   25   11    7                                       
CONECT   11   12   12   10   39                                       
CONECT   12   22   21   11   11                                       
CONECT   13    1   40   41   42                                       
CONECT   14    1   26   43   44                                       
CONECT   15   26    2   45   46                                       
CONECT   16   18   18   17    3                                       
CONECT   17    4    4   16   47                                       
CONECT   18    5    6   16   16                                       
CONECT   19   24    6    6   48                                       
CONECT   20   29   49   50                                            
CONECT   21    1   12    2                                            
CONECT   22    3    3   12                                            
CONECT   23    5    5    4                                            
CONECT   24   19    5   51                                            
CONECT   25    3   10   10                                            
CONECT   26   14   15                                                 
CONECT   27   29   29                                                 
CONECT   28   29   29                                                 
CONECT   29   28   28   27   27                                       
CONECT   29    7   20                                                 
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   17                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   24                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
