COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.945  -1.830  -0.803  1.00  0.00           C  
HETATM    2  C   UNL     1       3.826   1.205   0.270  1.00  0.00           C  
HETATM    3  C   UNL     1       1.444   1.702   0.155  1.00  0.00           C  
HETATM    4  C   UNL     1       0.215   0.845  -0.006  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.070   0.254   0.600  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.972  -0.796   1.708  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.091  -1.825   1.536  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.121  -2.798   2.738  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.497  -4.131   2.055  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.815  -2.714   0.343  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.334   1.056   0.778  1.00  0.00           C  
HETATM   12  C   UNL     1       8.128  -2.567  -1.648  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.586   0.603   0.153  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.792   0.631  -0.299  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.457  -0.473  -1.100  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.146   1.043  -0.261  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.089   0.382  -0.982  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.748  -0.710  -1.771  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.442  -1.136  -1.832  1.00  0.00           C  
HETATM   20  C   UNL     1       1.299   2.965  -0.695  1.00  0.00           C  
HETATM   21  C   UNL     1       0.150   3.817  -0.152  1.00  0.00           C  
HETATM   22  C   UNL     1       0.492   4.293   1.262  1.00  0.00           C  
HETATM   23  C   UNL     1       6.791  -2.264  -1.776  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.061   5.029  -1.061  1.00  0.00           C  
HETATM   25  C   UNL     1       6.243  -1.209  -1.053  1.00  0.00           C  
HETATM   26  C   UNL     1       7.065  -0.455  -0.193  1.00  0.00           C  
HETATM   27  C   UNL     1       8.428  -0.777  -0.075  1.00  0.00           C  
HETATM   28  C   UNL     1       4.988   0.379  -0.088  1.00  0.00           C  
HETATM   29  C   UNL     1       6.247   0.535   0.399  1.00  0.00           C  
HETATM   30  C   UNL     1      10.602  -0.452   0.828  1.00  0.00           C  
HETATM   31  N   UNL     1       4.975  -0.683  -0.975  1.00  0.00           N  
HETATM   32  N   UNL     1       2.623   0.951  -0.282  1.00  0.00           N  
HETATM   33  N   UNL     1      -0.911   1.148   0.670  1.00  0.00           N  
HETATM   34  N   UNL     1      -3.043  -4.001   0.665  1.00  0.00           N  
HETATM   35  N   UNL     1      -5.742   1.150   0.335  1.00  0.00           N  
HETATM   36  O   UNL     1       9.229  -0.062   0.755  1.00  0.00           O  
HETATM   37  O   UNL     1       3.951   2.118   1.064  1.00  0.00           O  
HETATM   38  O   UNL     1       0.239  -0.118  -0.743  1.00  0.00           O  
HETATM   39  O   UNL     1      -3.319   2.074   1.437  1.00  0.00           O  
HETATM   40  O   UNL     1      -2.441  -2.322  -0.743  1.00  0.00           O  
HETATM   41  S   UNL     1      -4.723  -0.755  -0.955  1.00  0.00           S  
HETATM   42  H   UNL     1       9.991  -2.083  -0.711  1.00  0.00           H  
HETATM   43  H   UNL     1       1.558   1.980   1.203  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.089  -0.242  -0.370  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.006  -1.297   1.649  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.071  -0.310   2.679  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.054  -1.326   1.425  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.141  -2.864   3.211  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.881  -2.501   3.461  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.986  -4.962   2.542  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.576  -4.281   2.088  1.00  0.00           H  
HETATM   52  H   UNL     1       8.546  -3.388  -2.213  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.431   1.889   0.347  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.118   0.709  -0.940  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.510  -1.225  -2.338  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.179  -1.985  -2.446  1.00  0.00           H  
HETATM   57  H   UNL     1       2.226   3.538  -0.655  1.00  0.00           H  
HETATM   58  H   UNL     1       1.088   2.687  -1.727  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.762   3.221  -0.123  1.00  0.00           H  
HETATM   60  H   UNL     1       1.452   4.809   1.249  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.282   4.975   1.613  1.00  0.00           H  
HETATM   62  H   UNL     1       0.550   3.434   1.930  1.00  0.00           H  
HETATM   63  H   UNL     1       6.166  -2.846  -2.438  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.304   4.690  -2.068  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.879   5.636  -0.674  1.00  0.00           H  
HETATM   66  H   UNL     1       0.851   5.625  -1.089  1.00  0.00           H  
HETATM   67  H   UNL     1       6.566   1.282   1.112  1.00  0.00           H  
HETATM   68  H   UNL     1      10.668  -1.484   1.173  1.00  0.00           H  
HETATM   69  H   UNL     1      11.056  -0.370  -0.160  1.00  0.00           H  
HETATM   70  H   UNL     1      11.129   0.199   1.525  1.00  0.00           H  
HETATM   71  H   UNL     1       4.199  -1.003  -1.461  1.00  0.00           H  
HETATM   72  H   UNL     1       2.538   0.271  -0.969  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.955   1.957   1.202  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.925  -4.747   0.056  1.00  0.00           H  
CONECT    1   12   12   27   42                                       
CONECT    2   37   37   28   32                                       
CONECT    3    4   32   20   43                                       
CONECT    4   33   38   38    3                                       
CONECT    5    6   11   33   44                                       
CONECT    6    7    5   45   46                                       
CONECT    7   10    8    6   47                                       
CONECT    8    9    7   48   49                                       
CONECT    9   34    8   50   51                                       
CONECT   10   34   40   40    7                                       
CONECT   11   39   39    5   13                                       
CONECT   12   23    1    1   52                                       
CONECT   13   11   35   35   41                                       
CONECT   14   35   16   16   15                                       
CONECT   15   14   41   19   19                                       
CONECT   16   14   14   17   53                                       
CONECT   17   16   18   18   54                                       
CONECT   18   17   17   19   55                                       
CONECT   19   15   15   18   56                                       
CONECT   20    3   21   57   58                                       
CONECT   21   20   24   22   59                                       
CONECT   22   21   60   61   62                                       
CONECT   23   25   25   12   63                                       
CONECT   24   21   64   65   66                                       
CONECT   25   31   23   23   26                                       
CONECT   26   25   29   27   27                                       
CONECT   27   26   26    1   36                                       
CONECT   28   31    2   29   29                                       
CONECT   29   28   28   26   67                                       
CONECT   30   36   68   69   70                                       
CONECT   31   28   25   71                                            
CONECT   32    2    3   72                                            
CONECT   33    5    4   73                                            
CONECT   34   10    9   74                                            
CONECT   35   13   13   14                                            
CONECT   36   27   30                                                 
CONECT   37    2    2                                                 
CONECT   38    4    4                                                 
CONECT   39   11   11                                                 
CONECT   40   10   10                                                 
CONECT   41   13   15                                                 
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   12                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
