COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.010  -0.095  -0.631  1.00  0.00           N  
HETATM    2  C   UNL     1       0.515   1.181  -1.141  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.366  -0.505  -0.915  1.00  0.00           C  
HETATM    4  S   UNL     1       0.998  -1.076   0.266  1.00  0.00           S  
HETATM    5  C   UNL     1       1.064   0.986  -2.530  1.00  0.00           C  
HETATM    6  C   UNL     1       0.293   1.296  -3.640  1.00  0.00           C  
HETATM    7  C   UNL     1       0.840   1.100  -4.899  1.00  0.00           C  
HETATM    8  C   UNL     1       2.126   0.605  -5.005  1.00  0.00           C  
HETATM    9  N   UNL     1       2.830   0.320  -3.927  1.00  0.00           N  
HETATM   10  C   UNL     1       2.345   0.500  -2.714  1.00  0.00           C  
HETATM   11  C   UNL     1       0.794  -0.623   1.956  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.173  -1.242   2.725  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.334  -0.889   4.051  1.00  0.00           C  
HETATM   14  C   UNL     1       0.475   0.088   4.611  1.00  0.00           C  
HETATM   15  C   UNL     1       1.442   0.711   3.836  1.00  0.00           C  
HETATM   16  C   UNL     1       1.604   0.350   2.512  1.00  0.00           C  
HETATM   17  O   UNL     1       0.319   0.437   5.915  1.00  0.00           O  
HETATM   18  C   UNL     1       1.286   1.453   6.189  1.00  0.00           C  
HETATM   19  O   UNL     1       2.326  -0.705  -0.076  1.00  0.00           O  
HETATM   20  O   UNL     1       0.453  -2.383   0.149  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.321   0.494  -0.315  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.541   0.097   0.098  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.578  -0.568  -2.429  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.586  -1.559  -3.041  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.007  -1.027  -2.725  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.993   1.656  -0.206  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.438   1.036   0.661  1.00  0.00           O  
HETATM   28  H   UNL     1      -0.297   1.907  -1.170  1.00  0.00           H  
HETATM   29  H   UNL     1       1.305   1.547  -0.486  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.550  -1.488  -0.481  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.708   1.681  -3.527  1.00  0.00           H  
HETATM   32  H   UNL     1       0.268   1.331  -5.786  1.00  0.00           H  
HETATM   33  H   UNL     1       2.559   0.449  -5.982  1.00  0.00           H  
HETATM   34  H   UNL     1       2.952   0.256  -1.855  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.803  -2.003   2.289  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.090  -1.373   4.651  1.00  0.00           H  
HETATM   37  H   UNL     1       2.075   1.472   4.269  1.00  0.00           H  
HETATM   38  H   UNL     1       2.360   0.831   1.910  1.00  0.00           H  
HETATM   39  H   UNL     1       1.198   1.767   7.229  1.00  0.00           H  
HETATM   40  H   UNL     1       2.286   1.059   6.012  1.00  0.00           H  
HETATM   41  H   UNL     1       1.110   2.307   5.536  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.804  -0.832   0.010  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.417   0.419  -2.860  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.737  -1.604  -4.120  1.00  0.00           H  
HETATM   45  H   UNL     1       0.431  -1.232  -2.830  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.747  -2.547  -2.611  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.168  -2.015  -2.295  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.713  -0.321  -2.289  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.157  -1.072  -3.804  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.244   0.552   0.888  1.00  0.00           H  
CONECT    1    2    3    4                                            
CONECT    2    1    5   28   29                                       
CONECT    3    1   21   23   30                                       
CONECT    4    1   11   19   19                                       
CONECT    4   20   20                                                 
CONECT    5    2    6    6   10                                       
CONECT    6    5    5    7   31                                       
CONECT    7    6    8    8   32                                       
CONECT    8    7    7    9   33                                       
CONECT    9    8   10   10                                            
CONECT   10    5    9    9   34                                       
CONECT   11    4   12   12   16                                       
CONECT   12   11   11   13   35                                       
CONECT   13   12   14   14   36                                       
CONECT   14   13   13   15   17                                       
CONECT   15   14   16   16   37                                       
CONECT   16   11   15   15   38                                       
CONECT   17   14   18                                                 
CONECT   18   17   39   40   41                                       
CONECT   19    4    4                                                 
CONECT   20    4    4                                                 
CONECT   21    3   22   26   26                                       
CONECT   22   21   27   42                                            
CONECT   23    3   24   25   43                                       
CONECT   24   23   44   45   46                                       
CONECT   25   23   47   48   49                                       
CONECT   26   21   21                                                 
CONECT   27   22   50                                                 
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
