COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.728  -0.441   0.002  1.00  0.00           C  
HETATM    2  C   UNL     1       0.350   0.029   0.248  1.00  0.00           C  
HETATM    3  C   UNL     1       0.293   1.339   1.037  1.00  0.00           C  
HETATM    4  C   UNL     1       1.438   1.373   2.052  1.00  0.00           C  
HETATM    5  C   UNL     1       1.457   2.732   2.754  1.00  0.00           C  
HETATM    6  C   UNL     1       1.232   0.267   3.089  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.846  -0.059  -0.665  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.253  -0.129  -1.036  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.462  -0.634  -0.245  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.186  -2.052   0.258  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.361  -2.568   1.059  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.738  -4.306  -0.350  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.077  -3.036  -0.930  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.561   1.256  -1.609  1.00  0.00           C  
HETATM   15  C   UNL     1       5.056  -0.959  -0.073  1.00  0.00           C  
HETATM   16  C   UNL     1       6.225  -0.932  -1.060  1.00  0.00           C  
HETATM   17  C   UNL     1       7.490  -1.584  -0.422  1.00  0.00           C  
HETATM   18  C   UNL     1       7.598  -0.930   0.989  1.00  0.00           C  
HETATM   19  C   UNL     1       8.011   0.533   0.711  1.00  0.00           C  
HETATM   20  C   UNL     1       8.115   0.625  -0.842  1.00  0.00           C  
HETATM   21  C   UNL     1       8.627  -0.834  -1.200  1.00  0.00           C  
HETATM   22  C   UNL     1       6.644   0.526  -1.359  1.00  0.00           C  
HETATM   23  N   UNL     1       1.577  -0.008  -0.550  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.091  -0.043  -0.148  1.00  0.00           N  
HETATM   25  N   UNL     1      -5.651  -3.829   0.695  1.00  0.00           N  
HETATM   26  O   UNL     1       2.746  -0.802   1.163  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.954  -1.936   1.907  1.00  0.00           O  
HETATM   28  O   UNL     1      -4.762   1.196  -2.381  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.688  -0.144  -1.864  1.00  0.00           O  
HETATM   30  O   UNL     1       3.855  -0.480  -0.733  1.00  0.00           O  
HETATM   31  H   UNL     1       0.341  -0.812   0.941  1.00  0.00           H  
HETATM   32  H   UNL     1       0.391   2.181   0.351  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.660   1.407   1.561  1.00  0.00           H  
HETATM   34  H   UNL     1       2.385   1.216   1.537  1.00  0.00           H  
HETATM   35  H   UNL     1       0.510   2.889   3.269  1.00  0.00           H  
HETATM   36  H   UNL     1       2.272   2.756   3.477  1.00  0.00           H  
HETATM   37  H   UNL     1       1.604   3.520   2.015  1.00  0.00           H  
HETATM   38  H   UNL     1       1.218  -0.702   2.589  1.00  0.00           H  
HETATM   39  H   UNL     1       2.047   0.290   3.812  1.00  0.00           H  
HETATM   40  H   UNL     1       0.284   0.423   3.604  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.038  -0.820  -1.851  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.642   0.024   0.604  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.341  -0.642  -0.891  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.275  -2.073   0.856  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.294  -4.831  -1.127  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.981  -4.962   0.080  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.630  -2.668  -1.794  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.034  -3.222  -1.188  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.736   1.578  -2.244  1.00  0.00           H  
HETATM   50  S   UNL     1      -3.774   2.439  -0.250  1.00  0.00           S  
HETATM   51  H   UNL     1       4.898  -1.979   0.275  1.00  0.00           H  
HETATM   52  H   UNL     1       5.284  -0.316   0.777  1.00  0.00           H  
HETATM   53  H   UNL     1       5.956  -1.447  -1.982  1.00  0.00           H  
HETATM   54  H   UNL     1       7.527  -2.673  -0.446  1.00  0.00           H  
HETATM   55  H   UNL     1       6.634  -0.962   1.497  1.00  0.00           H  
HETATM   56  H   UNL     1       8.358  -1.435   1.585  1.00  0.00           H  
HETATM   57  H   UNL     1       7.248   1.217   1.082  1.00  0.00           H  
HETATM   58  H   UNL     1       8.975   0.753   1.169  1.00  0.00           H  
HETATM   59  H   UNL     1       8.696   1.460  -1.232  1.00  0.00           H  
HETATM   60  H   UNL     1       9.611  -1.037  -0.776  1.00  0.00           H  
HETATM   61  H   UNL     1       8.603  -1.024  -2.273  1.00  0.00           H  
HETATM   62  H   UNL     1       6.601   0.741  -2.427  1.00  0.00           H  
HETATM   63  H   UNL     1       6.000   1.210  -0.807  1.00  0.00           H  
HETATM   64  H   UNL     1       1.562   0.280  -1.477  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.217   0.025   0.811  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.372  -4.356   1.074  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.539   0.916  -1.878  1.00  0.00           H  
HETATM   68  O   UNL     1      -4.894   2.083   0.550  1.00  0.00           O  
HETATM   69  O   UNL     1      -2.520   2.749   0.342  1.00  0.00           O  
HETATM   70  O   UNL     1      -4.197   3.731  -0.934  1.00  0.00           O  
HETATM   71  H   UNL     1      -4.350   4.466  -0.325  1.00  0.00           H  
CONECT    1   26   26   30   23                                       
CONECT    2   23    7    3   31                                       
CONECT    3    2    4   32   33                                       
CONECT    4    5    3    6   34                                       
CONECT    5    4   35   36   37                                       
CONECT    6    4   38   39   40                                       
CONECT    7   24    2   29   29                                       
CONECT    8    9   24   14   41                                       
CONECT    9   10    8   42   43                                       
CONECT   10   11    9   13   44                                       
CONECT   11   27   27   25   10                                       
CONECT   12   25   13   45   46                                       
CONECT   13   10   12   47   48                                       
CONECT   14    8   28   49   50                                       
CONECT   15   16   30   51   52                                       
CONECT   16   22   15   17   53                                       
CONECT   17   18   21   16   54                                       
CONECT   18   19   17   55   56                                       
CONECT   19   20   18   57   58                                       
CONECT   20   19   22   21   59                                       
CONECT   21   20   17   60   61                                       
CONECT   22   20   16   62   63                                       
CONECT   23    1    2   64                                            
CONECT   24    8    7   65                                            
CONECT   25   11   12   66                                            
CONECT   26    1    1                                                 
CONECT   27   11   11                                                 
CONECT   28   14   67                                                 
CONECT   29    7    7                                                 
CONECT   30   15    1                                                 
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14   68   68   69                                       
CONECT   50   69   70                                                 
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   28                                                      
CONECT   68   50   50                                                 
CONECT   69   50   50                                                 
CONECT   70   50   71                                                 
CONECT   71   70                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
