COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.885   0.443  -0.053  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.882  -0.540  -0.599  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.993   0.149   0.644  1.00  0.00           C  
HETATM    4  C   UNL     1       1.765  -0.311   0.542  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.007  -2.534  -1.661  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.371  -4.227  -0.160  1.00  0.00           C  
HETATM    7  C   UNL     1       4.119  -0.034   0.352  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.495  -3.807  -1.420  1.00  0.00           C  
HETATM    9  C   UNL     1       5.279   0.197  -0.382  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.793  -0.742   1.684  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.940   2.793  -0.780  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.193   3.763   0.539  1.00  0.00           C  
HETATM   13  C   UNL     1       4.195  -0.216   1.723  1.00  0.00           C  
HETATM   14  C   UNL     1       6.505   0.238   0.262  1.00  0.00           C  
HETATM   15  C   UNL     1       6.440   0.614  -2.415  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.178   4.136  -0.718  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.300   4.624  -0.061  1.00  0.00           C  
HETATM   18  C   UNL     1       6.575   0.050   1.630  1.00  0.00           C  
HETATM   19  C   UNL     1       5.423  -0.174   2.359  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.969   2.391   0.489  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.831   1.902  -0.178  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.482  -1.923  -0.598  1.00  0.00           C  
HETATM   23  C   UNL     1       0.529  -0.323  -0.320  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.680  -0.529   0.239  1.00  0.00           N  
HETATM   25  N   UNL     1      -4.657   1.300   0.972  1.00  0.00           N  
HETATM   26  O   UNL     1       2.913  -0.075  -0.275  1.00  0.00           O  
HETATM   27  O   UNL     1       0.622  -0.146  -1.516  1.00  0.00           O  
HETATM   28  O   UNL     1       5.209   0.382  -1.727  1.00  0.00           O  
HETATM   29  S   UNL     1      -2.597  -2.977   0.805  1.00  0.00           S  
HETATM   30  H   UNL     1      -1.617  -0.261  -1.619  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.314  -0.848   0.908  1.00  0.00           H  
HETATM   32  H   UNL     1       1.681   0.480   1.287  1.00  0.00           H  
HETATM   33  H   UNL     1       1.867  -1.273   1.044  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.045  -2.073  -2.636  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.694  -5.189   0.211  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.943  -4.413  -2.193  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.621  -1.794   1.911  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.051  -0.133   2.200  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.791  -0.456   2.016  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.065   2.421  -1.293  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.062   4.152   1.048  1.00  0.00           H  
HETATM   42  H   UNL     1       3.296  -0.391   2.295  1.00  0.00           H  
HETATM   43  H   UNL     1       7.407   0.417  -0.305  1.00  0.00           H  
HETATM   44  H   UNL     1       6.242   0.745  -3.479  1.00  0.00           H  
HETATM   45  H   UNL     1       6.913   1.514  -2.020  1.00  0.00           H  
HETATM   46  H   UNL     1       7.104  -0.238  -2.271  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.489   4.825  -1.183  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.475   5.689  -0.021  1.00  0.00           H  
HETATM   49  H   UNL     1       7.532   0.082   2.130  1.00  0.00           H  
HETATM   50  H   UNL     1       5.481  -0.320   3.428  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.485   1.342   1.475  1.00  0.00           H  
CONECT    1    2   21    3    3                                       
CONECT    2   24   22    1   30                                       
CONECT    3    1    1   25   31                                       
CONECT    4   26   23   32   33                                       
CONECT    5   22   22    8   34                                       
CONECT    6   29    8    8   35                                       
CONECT    7    9   26   13   13                                       
CONECT    8    6    6    5   36                                       
CONECT    9   28   14   14    7                                       
CONECT   10   24   37   38   39                                       
CONECT   11   16   16   21   40                                       
CONECT   12   17   17   20   41                                       
CONECT   13    7    7   19   42                                       
CONECT   14    9    9   18   43                                       
CONECT   15   28   44   45   46                                       
CONECT   16   11   11   17   47                                       
CONECT   17   16   12   12   48                                       
CONECT   18   14   19   19   49                                       
CONECT   19   18   18   13   50                                       
CONECT   20   21   21   12   25                                       
CONECT   21   11    1   20   20                                       
CONECT   22   29    2    5    5                                       
CONECT   23   27   27    4   24                                       
CONECT   24   23    2   10                                            
CONECT   25   20    3   51                                            
CONECT   26    7    4                                                 
CONECT   27   23   23                                                 
CONECT   28   15    9                                                 
CONECT   29    6   22                                                 
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   25                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
