COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.051  -0.458   0.929  1.00  0.00           C  
HETATM    2  C   UNL     1       5.251  -1.958   0.701  1.00  0.00           C  
HETATM    3  C   UNL     1       6.723  -2.229   0.381  1.00  0.00           C  
HETATM    4  N   UNL     1       6.910  -3.660   0.104  1.00  0.00           N  
HETATM    5  C   UNL     1       7.129  -1.411  -0.849  1.00  0.00           C  
HETATM    6  C   UNL     1       6.876   0.073  -0.575  1.00  0.00           C  
HETATM    7  N   UNL     1       5.453   0.280  -0.275  1.00  0.00           N  
HETATM    8  C   UNL     1       5.146   1.710  -0.143  1.00  0.00           C  
HETATM    9  C   UNL     1       3.652   1.900  -0.081  1.00  0.00           C  
HETATM   10  C   UNL     1       2.930   2.083  -1.246  1.00  0.00           C  
HETATM   11  C   UNL     1       1.560   2.257  -1.189  1.00  0.00           C  
HETATM   12  C   UNL     1       3.003   1.884   1.139  1.00  0.00           C  
HETATM   13  C   UNL     1       1.633   2.058   1.195  1.00  0.00           C  
HETATM   14  C   UNL     1       0.912   2.247   0.031  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.582   2.437   0.093  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.244   1.133   0.006  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.589   1.056   0.041  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.254   2.070   0.145  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.253  -0.253  -0.045  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.704  -0.413  -0.014  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.742   0.558   0.098  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.476   1.745   0.187  1.00  0.00           O  
HETATM   23  N   UNL     1      -7.023   0.138   0.103  1.00  0.00           N  
HETATM   24  C   UNL     1      -7.309  -1.184   0.003  1.00  0.00           C  
HETATM   25  N   UNL     1      -6.375  -2.083  -0.100  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.067  -1.749  -0.113  1.00  0.00           C  
HETATM   27  S   UNL     1      -3.626  -2.747  -0.239  1.00  0.00           S  
HETATM   28  C   UNL     1      -2.583  -1.406  -0.166  1.00  0.00           C  
HETATM   29  H   UNL     1       4.001  -0.259   1.143  1.00  0.00           H  
HETATM   30  H   UNL     1       5.661  -0.135   1.773  1.00  0.00           H  
HETATM   31  H   UNL     1       4.967  -2.504   1.600  1.00  0.00           H  
HETATM   32  H   UNL     1       4.630  -2.284  -0.134  1.00  0.00           H  
HETATM   33  H   UNL     1       7.340  -1.939   1.231  1.00  0.00           H  
HETATM   34  H   UNL     1       7.875  -3.864  -0.110  1.00  0.00           H  
HETATM   35  H   UNL     1       6.584  -4.223   0.875  1.00  0.00           H  
HETATM   36  H   UNL     1       8.188  -1.567  -1.056  1.00  0.00           H  
HETATM   37  H   UNL     1       6.539  -1.729  -1.708  1.00  0.00           H  
HETATM   38  H   UNL     1       7.477   0.393   0.276  1.00  0.00           H  
HETATM   39  H   UNL     1       7.150   0.656  -1.453  1.00  0.00           H  
HETATM   40  H   UNL     1       5.599   2.096   0.771  1.00  0.00           H  
HETATM   41  H   UNL     1       5.545   2.249  -1.002  1.00  0.00           H  
HETATM   42  H   UNL     1       3.437   2.092  -2.200  1.00  0.00           H  
HETATM   43  H   UNL     1       0.996   2.401  -2.099  1.00  0.00           H  
HETATM   44  H   UNL     1       3.566   1.736   2.049  1.00  0.00           H  
HETATM   45  H   UNL     1       1.126   2.045   2.149  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.849   2.918   1.033  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.903   3.063  -0.740  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.714   0.324  -0.076  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.342  -1.500   0.009  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.506  -1.476  -0.209  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.742   0.784   0.179  1.00  0.00           H  
CONECT    1    2    7   29   30                                       
CONECT    2    3    1   31   32                                       
CONECT    3    4    5    2   33                                       
CONECT    4    3   34   35                                            
CONECT    5    3    6   36   37                                       
CONECT    6    5    7   38   39                                       
CONECT    7    6    1    8                                            
CONECT    8    7    9   40   41                                       
CONECT    9    8   10   10   12                                       
CONECT   10    9    9   11   42                                       
CONECT   11   10   14   14   43                                       
CONECT   12    9   13   13   44                                       
CONECT   13   12   12   14   45                                       
CONECT   14   11   11   13   15                                       
CONECT   15   14   16   46   47                                       
CONECT   16   15   17   48                                            
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   28   28                                       
CONECT   20   21   19   26   26                                       
CONECT   21   22   22   20   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   51                                            
CONECT   24   23   25   25   49                                       
CONECT   25   26   24   24                                            
CONECT   26   20   20   27   25                                       
CONECT   27   28   26                                                 
CONECT   28   19   19   27   50                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   24                                                      
CONECT   50   28                                                      
CONECT   51   23                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
