COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.332  -1.954  -0.171  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.952  -0.901   0.330  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.996   1.162   0.475  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.757   3.574   0.377  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.291   4.714  -0.299  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.433   4.836   1.316  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.897   0.330  -0.474  1.00  0.00           C  
HETATM    8  C   UNL     1       8.806   2.401  -0.518  1.00  0.00           C  
HETATM    9  C   UNL     1       8.162   1.146  -0.412  1.00  0.00           C  
HETATM   10  C   UNL     1       7.524  -0.924  -0.452  1.00  0.00           C  
HETATM   11  C   UNL     1       5.283  -0.785   0.702  1.00  0.00           C  
HETATM   12  C   UNL     1       4.148  -0.653  -0.338  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.918  -1.582  -0.569  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.985   3.068  -0.834  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.978   5.925  -0.108  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.366  -1.107  -0.248  1.00  0.00           C  
HETATM   17  C   UNL     1       4.070  -2.719   0.950  1.00  0.00           C  
HETATM   18  C   UNL     1       4.061  -4.222   0.664  1.00  0.00           C  
HETATM   19  C   UNL     1       6.909   1.086   0.209  1.00  0.00           C  
HETATM   20  C   UNL     1       6.959   3.365   0.581  1.00  0.00           C  
HETATM   21  N   UNL     1       8.482  -0.114  -0.794  1.00  0.00           N  
HETATM   22  N   UNL     1       6.529  -0.228   0.171  1.00  0.00           N  
HETATM   23  N   UNL     1      -3.914   2.552   0.020  1.00  0.00           N  
HETATM   24  N   UNL     1      -3.212   4.335  -1.024  1.00  0.00           N  
HETATM   25  N   UNL     1      -4.567   7.081  -0.747  1.00  0.00           N  
HETATM   26  N   UNL     1      -6.032   5.934   0.701  1.00  0.00           N  
HETATM   27  N   UNL     1      -5.821   3.680   1.166  1.00  0.00           N  
HETATM   28  N   UNL     1       6.351   2.205   0.686  1.00  0.00           N  
HETATM   29  N   UNL     1       6.348   4.486   1.085  1.00  0.00           N  
HETATM   30  N   UNL     1       8.183   3.487  -0.008  1.00  0.00           N  
HETATM   31  O   UNL     1       9.897   2.501  -1.051  1.00  0.00           O  
HETATM   32  O   UNL     1       3.337   0.488  -0.051  1.00  0.00           O  
HETATM   33  O   UNL     1       1.991  -1.657   0.224  1.00  0.00           O  
HETATM   34  O   UNL     1      -0.624  -1.471   0.026  1.00  0.00           O  
HETATM   35  O   UNL     1      -2.709   0.516   0.369  1.00  0.00           O  
HETATM   36  O   UNL     1      -6.270   0.433  -0.092  1.00  0.00           O  
HETATM   37  O   UNL     1      -5.192  -1.804   0.687  1.00  0.00           O  
HETATM   38  O   UNL     1      -4.963  -4.173  -0.153  1.00  0.00           O  
HETATM   39  O   UNL     1      -6.675  -3.748   1.652  1.00  0.00           O  
HETATM   40  O   UNL     1       0.848  -1.547  -2.024  1.00  0.00           O  
HETATM   41  O   UNL     1       4.644  -4.920   1.766  1.00  0.00           O  
HETATM   42  O   UNL     1       5.420  -2.207   0.919  1.00  0.00           O  
HETATM   43  P   UNL     1       0.706  -2.078  -0.650  1.00  0.00           P  
HETATM   44  P   UNL     1      -5.948  -3.181   0.333  1.00  0.00           P  
HETATM   45  S   UNL     1      -7.395  -2.825  -1.175  1.00  0.00           S  
HETATM   46  S   UNL     1       0.561  -4.192  -0.720  1.00  0.00           S  
HETATM   47  H   UNL     1       3.338  -2.530  -1.097  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.897  -1.314   1.337  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.366   1.115   1.499  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.294   4.888   1.965  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.759   0.637  -1.510  1.00  0.00           H  
HETATM   52  H   UNL     1       7.516  -1.989  -0.634  1.00  0.00           H  
HETATM   53  H   UNL     1       5.008  -0.283   1.629  1.00  0.00           H  
HETATM   54  H   UNL     1       4.560  -0.586  -1.345  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.176  -2.634  -0.686  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.912  -1.098  -1.546  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.182   2.507  -1.289  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.317  -1.648  -1.193  1.00  0.00           H  
HETATM   59  H   UNL     1       3.608  -2.515   1.916  1.00  0.00           H  
HETATM   60  H   UNL     1       3.034  -4.559   0.522  1.00  0.00           H  
HETATM   61  H   UNL     1       4.637  -4.423  -0.240  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.796   7.062  -1.336  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.049   7.911  -0.607  1.00  0.00           H  
HETATM   64  H   UNL     1       5.480   4.415   1.511  1.00  0.00           H  
HETATM   65  H   UNL     1       6.785   5.349   1.015  1.00  0.00           H  
HETATM   66  H   UNL     1       8.604   4.358  -0.069  1.00  0.00           H  
HETATM   67  H   UNL     1       3.799   1.332  -0.140  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.623   1.332  -0.131  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.335  -3.148   2.026  1.00  0.00           H  
HETATM   70  H   UNL     1       4.672  -5.880   1.653  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.938  -4.040  -1.367  1.00  0.00           H  
HETATM   72  H   UNL     1       0.439  -4.530   0.576  1.00  0.00           H  
CONECT    1   17   33   12   47                                       
CONECT    2   16   13   35   48                                       
CONECT    3    7   35   23   49                                       
CONECT    4   23    5    5   27                                       
CONECT    5   24    4    4   15                                       
CONECT    6   27   27   26   50                                       
CONECT    7   36   16    3   51                                       
CONECT    8   30    9   31   31                                       
CONECT    9   19   19    8   21                                       
CONECT   10   22   21   21   52                                       
CONECT   11   42   22   12   53                                       
CONECT   12   11    1   32   54                                       
CONECT   13   34    2   55   56                                       
CONECT   14   23   24   24   57                                       
CONECT   15    5   26   26   25                                       
CONECT   16   37    7    2   58                                       
CONECT   17   18   42    1   59                                       
CONECT   18   41   17   60   61                                       
CONECT   19   28   22    9    9                                       
CONECT   20   29   28   28   30                                       
CONECT   21    9   10   10                                            
CONECT   22   19   11   10                                            
CONECT   23    3   14    4                                            
CONECT   24   14   14    5                                            
CONECT   25   15   62   63                                            
CONECT   26    6   15   15                                            
CONECT   27    4    6    6                                            
CONECT   28   20   20   19                                            
CONECT   29   20   64   65                                            
CONECT   30   20    8   66                                            
CONECT   31    8    8                                                 
CONECT   32   12   67                                                 
CONECT   33    1   43                                                 
CONECT   34   43   13                                                 
CONECT   35    2    3                                                 
CONECT   36    7   68                                                 
CONECT   37   44   16                                                 
CONECT   38   44   44                                                 
CONECT   39   44   69                                                 
CONECT   40   43   43                                                 
CONECT   41   18   70                                                 
CONECT   42   17   11                                                 
CONECT   43   33   34   40   40                                       
CONECT   43   46                                                      
CONECT   44   38   38   39   37                                       
CONECT   44   45                                                      
CONECT   45   44   71                                                 
CONECT   46   43   72                                                 
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   32                                                      
CONECT   68   36                                                      
CONECT   69   39                                                      
CONECT   70   41                                                      
CONECT   71   45                                                      
CONECT   72   46                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
