COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.449   2.409  -0.887  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.664   0.219   0.405  1.00  0.00           C  
HETATM    3  C   UNL     1       6.202   2.720  -1.150  1.00  0.00           C  
HETATM    4  C   UNL     1       6.507   3.383   0.024  1.00  0.00           C  
HETATM    5  C   UNL     1       5.499   3.731   0.903  1.00  0.00           C  
HETATM    6  C   UNL     1       3.881   2.753  -0.566  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.991   3.861  -0.647  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.637   3.868  -0.369  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.024   2.494   1.553  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.863   3.176   0.179  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.676   3.185   1.030  1.00  0.00           C  
HETATM   12  C   UNL     1       4.186   3.416   0.608  1.00  0.00           C  
HETATM   13  C   UNL     1       7.081  -2.606  -0.768  1.00  0.00           C  
HETATM   14  C   UNL     1       6.259  -1.461  -0.173  1.00  0.00           C  
HETATM   15  C   UNL     1       4.905  -1.384  -0.881  1.00  0.00           C  
HETATM   16  C   UNL     1       2.881  -0.030  -0.782  1.00  0.00           C  
HETATM   17  C   UNL     1       2.071   1.097  -0.196  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.496   2.079   0.518  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.011   2.006   0.317  1.00  0.00           C  
HETATM   20  C   UNL     1       4.889   2.404  -1.445  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.153   3.184   0.730  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.379   2.493   1.279  1.00  0.00           C  
HETATM   23  C   UNL     1       8.415  -2.682  -0.071  1.00  0.00           C  
HETATM   24  C   UNL     1       8.572  -3.466   1.056  1.00  0.00           C  
HETATM   25  C   UNL     1       9.502  -1.970  -0.555  1.00  0.00           C  
HETATM   26  C   UNL     1      10.709  -2.069   0.119  1.00  0.00           C  
HETATM   27  C   UNL     1      10.789  -2.870   1.243  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.186  -1.074   0.978  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.087  -2.564   0.656  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.348  -2.930  -0.022  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.037  -4.095   0.337  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.216  -4.390  -0.325  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.672  -3.533  -1.311  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.875  -2.118  -1.028  1.00  0.00           C  
HETATM   35  N   UNL     1       4.117  -0.288  -0.311  1.00  0.00           N  
HETATM   36  N   UNL     1      -2.518   0.750   0.874  1.00  0.00           N  
HETATM   37  N   UNL     1       9.736  -3.537   1.672  1.00  0.00           N  
HETATM   38  N   UNL     1      -5.435  -1.437   0.306  1.00  0.00           N  
HETATM   39  N   UNL     1      -9.001  -2.442  -1.628  1.00  0.00           N  
HETATM   40  O   UNL     1       2.421  -0.706  -1.678  1.00  0.00           O  
HETATM   41  O   UNL     1      -4.276   0.781  -0.478  1.00  0.00           O  
HETATM   42  O   UNL     1      -5.637  -3.279   1.531  1.00  0.00           O  
HETATM   43  S   UNL     1       0.305   0.768  -0.447  1.00  0.00           S  
HETATM   44  H   UNL     1       1.796   3.207  -0.534  1.00  0.00           H  
HETATM   45  H   UNL     1       2.336   2.298  -1.965  1.00  0.00           H  
HETATM   46  H   UNL     1       6.990   2.451  -1.839  1.00  0.00           H  
HETATM   47  H   UNL     1       7.533   3.629   0.254  1.00  0.00           H  
HETATM   48  H   UNL     1       5.737   4.249   1.820  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.368   4.395  -1.507  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.956   4.406  -1.012  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.647   1.960   2.412  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.921   3.175  -0.035  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.523   3.093   2.105  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.236   4.118   0.678  1.00  0.00           H  
HETATM   55  H   UNL     1       3.398   3.688   1.295  1.00  0.00           H  
HETATM   56  H   UNL     1       6.546  -3.546  -0.632  1.00  0.00           H  
HETATM   57  H   UNL     1       7.237  -2.427  -1.832  1.00  0.00           H  
HETATM   58  H   UNL     1       6.103  -1.640   0.891  1.00  0.00           H  
HETATM   59  H   UNL     1       6.794  -0.521  -0.309  1.00  0.00           H  
HETATM   60  H   UNL     1       5.060  -1.205  -1.945  1.00  0.00           H  
HETATM   61  H   UNL     1       4.370  -2.324  -0.745  1.00  0.00           H  
HETATM   62  H   UNL     1       2.278   1.176   0.871  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.131   3.050   0.184  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.262   1.946   1.574  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.239   2.050  -0.748  1.00  0.00           H  
HETATM   66  H   UNL     1       4.650   1.890  -2.364  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.060   1.954   1.921  1.00  0.00           H  
HETATM   68  H   UNL     1       7.732  -4.028   1.437  1.00  0.00           H  
HETATM   69  H   UNL     1       9.410  -1.352  -1.436  1.00  0.00           H  
HETATM   70  H   UNL     1      11.577  -1.529  -0.231  1.00  0.00           H  
HETATM   71  H   UNL     1      11.726  -2.953   1.773  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.449  -1.862   0.826  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.370  -0.950   2.045  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.658  -4.746   1.110  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.774  -5.280  -0.075  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.591  -3.761  -1.829  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.356  -1.215  -1.313  1.00  0.00           H  
HETATM   78  H   UNL     1       4.486   0.252   0.405  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.028   0.300   1.580  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.794  -0.867  -0.392  1.00  0.00           H  
CONECT    1    6   17   44   45                                       
CONECT    2   41   41   28   36                                       
CONECT    3    4    4   20   46                                       
CONECT    4    5    3    3   47                                       
CONECT    5   12   12    4   48                                       
CONECT    6   12    1   20   20                                       
CONECT    7   10   10    8   49                                       
CONECT    8   21   21    7   50                                       
CONECT    9   22   22   21   51                                       
CONECT   10   22    7    7   52                                       
CONECT   11   19   21   53   54                                       
CONECT   12    5    5    6   55                                       
CONECT   13   14   23   56   57                                       
CONECT   14   15   13   58   59                                       
CONECT   15   35   14   60   61                                       
CONECT   16   17   35   40   40                                       
CONECT   17    1   43   16   62                                       
CONECT   18   19   43   63   64                                       
CONECT   19   36   11   18   65                                       
CONECT   20    6    6    3   66                                       
CONECT   21    9   11    8    8                                       
CONECT   22    9    9   10   67                                       
CONECT   23   25   13   24   24                                       
CONECT   24   23   23   37   68                                       
CONECT   25   26   26   23   69                                       
CONECT   26   25   25   27   70                                       
CONECT   27   26   37   37   71                                       
CONECT   28   38    2   72   73                                       
CONECT   29   30   42   42   38                                       
CONECT   30   31   31   34   29                                       
CONECT   31   32   30   30   74                                       
CONECT   32   33   33   31   75                                       
CONECT   33   32   32   39   76                                       
CONECT   34   39   39   30   77                                       
CONECT   35   16   15   78                                            
CONECT   36    2   19   79                                            
CONECT   37   27   27   24                                            
CONECT   38   29   28   80                                            
CONECT   39   33   34   34                                            
CONECT   40   16   16                                                 
CONECT   41    2    2                                                 
CONECT   42   29   29                                                 
CONECT   43   17   18                                                 
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   22                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   38                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
