COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.367   0.021  -0.743  1.00  0.00           C  
HETATM    2  C   UNL     1       5.739  -1.102  -1.566  1.00  0.00           C  
HETATM    3  C   UNL     1       4.810  -1.937  -0.724  1.00  0.00           C  
HETATM    4  C   UNL     1       4.492  -3.211  -1.177  1.00  0.00           C  
HETATM    5  C   UNL     1       3.639  -4.019  -0.456  1.00  0.00           C  
HETATM    6  C   UNL     1       4.595  -0.121   1.010  1.00  0.00           C  
HETATM    7  S   UNL     1       1.024   2.740  -0.812  1.00  0.00           S  
HETATM    8  C   UNL     1       1.563   1.576   0.321  1.00  0.00           C  
HETATM    9  N   UNL     1       2.846   1.581   0.735  1.00  0.00           N  
HETATM   10  C   UNL     1       3.372   0.533   1.618  1.00  0.00           C  
HETATM   11  C   UNL     1       4.271  -1.484   0.461  1.00  0.00           C  
HETATM   12  C   UNL     1       3.408  -2.296   1.183  1.00  0.00           C  
HETATM   13  C   UNL     1       3.092  -3.560   0.728  1.00  0.00           C  
HETATM   14  N   UNL     1       5.284   0.684   0.016  1.00  0.00           N  
HETATM   15  C   UNL     1       3.784   2.640   0.319  1.00  0.00           C  
HETATM   16  C   UNL     1       4.991   1.959  -0.274  1.00  0.00           C  
HETATM   17  O   UNL     1       5.712   2.579  -1.028  1.00  0.00           O  
HETATM   18  N   UNL     1       0.705   0.653   0.799  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.713   0.713   0.435  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.461  -0.440   1.106  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.920  -0.378   0.732  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.803   0.348   1.508  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.140   0.405   1.164  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.595  -0.264   0.044  1.00  0.00           C  
HETATM   25  S   UNL     1      -7.300  -0.193  -0.394  1.00  0.00           S  
HETATM   26  O   UNL     1      -8.009   0.110   0.800  1.00  0.00           O  
HETATM   27  N   UNL     1      -7.494   1.111  -1.397  1.00  0.00           N  
HETATM   28  O   UNL     1      -7.561  -1.347  -1.181  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.712  -0.990  -0.734  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.373  -1.044  -0.392  1.00  0.00           C  
HETATM   31  H   UNL     1       7.101  -0.393  -0.052  1.00  0.00           H  
HETATM   32  H   UNL     1       6.848   0.740  -1.406  1.00  0.00           H  
HETATM   33  H   UNL     1       5.178  -0.668  -2.394  1.00  0.00           H  
HETATM   34  H   UNL     1       6.529  -1.739  -1.964  1.00  0.00           H  
HETATM   35  H   UNL     1       4.917  -3.572  -2.102  1.00  0.00           H  
HETATM   36  H   UNL     1       3.397  -5.009  -0.815  1.00  0.00           H  
HETATM   37  H   UNL     1       5.301  -0.286   1.824  1.00  0.00           H  
HETATM   38  H   UNL     1       2.602  -0.222   1.775  1.00  0.00           H  
HETATM   39  H   UNL     1       3.641   0.975   2.577  1.00  0.00           H  
HETATM   40  H   UNL     1       2.982  -1.937   2.108  1.00  0.00           H  
HETATM   41  H   UNL     1       2.421  -4.188   1.295  1.00  0.00           H  
HETATM   42  H   UNL     1       3.313   3.281  -0.426  1.00  0.00           H  
HETATM   43  H   UNL     1       4.080   3.234   1.184  1.00  0.00           H  
HETATM   44  H   UNL     1       1.026  -0.051   1.385  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.134   1.662   0.768  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.814   0.631  -0.647  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.041  -1.389   0.774  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.360  -0.357   2.189  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.448   0.872   2.384  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.830   0.972   1.771  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.731   1.662  -1.629  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.372   1.324  -1.751  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.067  -1.513  -1.609  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.683  -1.608  -1.001  1.00  0.00           H  
CONECT    1    2   14   31   32                                       
CONECT    2    3    1   33   34                                       
CONECT    3    4   11   11    2                                       
CONECT    4    5    5    3   35                                       
CONECT    5   13    4    4   36                                       
CONECT    6   11   14   10   37                                       
CONECT    7    8    8                                                 
CONECT    8    9    7    7   18                                       
CONECT    9   10   15    8                                            
CONECT   10    6    9   38   39                                       
CONECT   11   12    3    3    6                                       
CONECT   12   13   13   11   40                                       
CONECT   13    5   12   12   41                                       
CONECT   14    6    1   16                                            
CONECT   15   16    9   42   43                                       
CONECT   16   14   15   17   17                                       
CONECT   17   16   16                                                 
CONECT   18    8   19   44                                            
CONECT   19   18   20   45   46                                       
CONECT   20   19   21   47   48                                       
CONECT   21   20   30   30   22                                       
CONECT   22   21   23   23   49                                       
CONECT   23   22   22   24   50                                       
CONECT   24   29   29   23   25                                       
CONECT   25   24   27   28   28                                       
CONECT   25   26   26                                                 
CONECT   26   25   25                                                 
CONECT   27   25   51   52                                            
CONECT   28   25   25                                                 
CONECT   29   30   24   24   53                                       
CONECT   30   21   21   29   54                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
