COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.284  -3.152  -1.152  1.00  0.00           C  
HETATM    2  C   UNL     1       1.312  -3.568  -2.482  1.00  0.00           C  
HETATM    3  C   UNL     1       0.240  -3.305  -3.311  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.864  -2.630  -2.825  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.901  -2.212  -1.500  1.00  0.00           C  
HETATM    6  C   UNL     1       0.172  -2.473  -0.662  1.00  0.00           C  
HETATM    7  C   UNL     1       0.135  -2.020   0.775  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.248  -1.828  -1.480  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.295  -0.286   0.170  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.878   1.828   0.389  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.582   1.299  -0.230  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.538   2.784   1.536  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.680   2.046   2.567  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.418   1.512   1.885  1.00  0.00           C  
HETATM   15  C   UNL     1       2.434  -3.440  -0.259  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.714  -1.506  -1.364  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.822  -0.905  -0.811  1.00  0.00           C  
HETATM   18  C   UNL     1       2.846  -4.727  -0.097  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.020  -1.529  -1.013  1.00  0.00           N  
HETATM   20  C   UNL     1      -4.439  -1.196  -0.881  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.375  -2.619  -2.394  1.00  0.00           O  
HETATM   22  C   UNL     1      -5.407   0.303   0.726  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.675  -0.004   0.240  1.00  0.00           C  
HETATM   24  N   UNL     1      -7.797   0.601   0.796  1.00  0.00           N  
HETATM   25  N   UNL     1       3.896  -5.025   0.715  1.00  0.00           N  
HETATM   26  C   UNL     1       4.533  -4.026   1.364  1.00  0.00           C  
HETATM   27  C   UNL     1       4.065  -2.649   1.168  1.00  0.00           C  
HETATM   28  N   UNL     1       3.046  -2.425   0.366  1.00  0.00           N  
HETATM   29  O   UNL     1       5.477  -4.263   2.098  1.00  0.00           O  
HETATM   30  C   UNL     1       4.332  -6.414   0.883  1.00  0.00           C  
HETATM   31  N   UNL     1       4.696  -1.593   1.814  1.00  0.00           N  
HETATM   32  C   UNL     1       4.245  -0.291   1.622  1.00  0.00           C  
HETATM   33  C   UNL     1       4.330   0.633   2.659  1.00  0.00           C  
HETATM   34  C   UNL     1       3.885   1.922   2.473  1.00  0.00           C  
HETATM   35  C   UNL     1       3.348   2.303   1.240  1.00  0.00           C  
HETATM   36  C   UNL     1       3.263   1.372   0.200  1.00  0.00           C  
HETATM   37  C   UNL     1       3.715   0.086   0.391  1.00  0.00           C  
HETATM   38  C   UNL     1       2.869   3.683   1.036  1.00  0.00           C  
HETATM   39  N   UNL     1       3.113   4.316  -0.128  1.00  0.00           N  
HETATM   40  O   UNL     1       2.255   4.250   1.919  1.00  0.00           O  
HETATM   41  C   UNL     1       2.731   5.724  -0.317  1.00  0.00           C  
HETATM   42  C   UNL     1       3.950   6.494  -0.837  1.00  0.00           C  
HETATM   43  N   UNL     1       4.471   5.826  -2.037  1.00  0.00           N  
HETATM   44  C   UNL     1       4.946   4.470  -1.728  1.00  0.00           C  
HETATM   45  C   UNL     1       3.774   3.619  -1.242  1.00  0.00           C  
HETATM   46  C   UNL     1       5.532   6.625  -2.665  1.00  0.00           C  
HETATM   47  H   UNL     1       2.174  -4.095  -2.865  1.00  0.00           H  
HETATM   48  H   UNL     1       0.264  -3.627  -4.341  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.701  -2.427  -3.477  1.00  0.00           H  
HETATM   50  H   UNL     1       0.476  -0.987   0.840  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.885  -2.091   1.152  1.00  0.00           H  
HETATM   52  H   UNL     1       0.788  -2.656   1.373  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.312  -0.048   0.548  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.453   2.359  -0.370  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.465   0.993   0.772  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.821   0.607  -1.038  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.002   2.133  -0.626  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.985   3.638   1.146  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.458   3.129   2.007  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.399   2.734   3.365  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.247   1.215   2.986  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.844   2.345   1.479  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.812   0.974   2.614  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.828  -2.209  -2.176  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.807  -1.144  -1.184  1.00  0.00           H  
HETATM   66  H   UNL     1       2.332  -5.522  -0.619  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.912  -0.839  -0.339  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.297   1.002   1.541  1.00  0.00           H  
HETATM   69  H   UNL     1       5.083  -6.653   0.131  1.00  0.00           H  
HETATM   70  H   UNL     1       4.760  -6.542   1.877  1.00  0.00           H  
HETATM   71  H   UNL     1       3.477  -7.079   0.767  1.00  0.00           H  
HETATM   72  H   UNL     1       5.451  -1.764   2.398  1.00  0.00           H  
HETATM   73  H   UNL     1       4.745   0.339   3.612  1.00  0.00           H  
HETATM   74  H   UNL     1       3.951   2.639   3.278  1.00  0.00           H  
HETATM   75  H   UNL     1       2.848   1.663  -0.754  1.00  0.00           H  
HETATM   76  H   UNL     1       3.651  -0.633  -0.412  1.00  0.00           H  
HETATM   77  H   UNL     1       1.920   5.790  -1.042  1.00  0.00           H  
HETATM   78  H   UNL     1       2.407   6.146   0.635  1.00  0.00           H  
HETATM   79  H   UNL     1       3.657   7.513  -1.087  1.00  0.00           H  
HETATM   80  H   UNL     1       4.722   6.515  -0.068  1.00  0.00           H  
HETATM   81  H   UNL     1       5.375   4.022  -2.624  1.00  0.00           H  
HETATM   82  H   UNL     1       5.704   4.520  -0.947  1.00  0.00           H  
HETATM   83  H   UNL     1       4.140   2.650  -0.904  1.00  0.00           H  
HETATM   84  H   UNL     1       3.060   3.481  -2.055  1.00  0.00           H  
HETATM   85  H   UNL     1       6.350   6.762  -1.959  1.00  0.00           H  
HETATM   86  H   UNL     1       5.900   6.107  -3.551  1.00  0.00           H  
HETATM   87  H   UNL     1       5.132   7.597  -2.953  1.00  0.00           H  
CONECT    1   15    2    2    6                                       
CONECT    2    1    1    3   47                                       
CONECT    3    2    4    4   48                                       
CONECT    4    3    3    5   49                                       
CONECT    5    6    6    4   19                                       
CONECT    6    1    7    5    5                                       
CONECT    7    6   50   51   52                                       
CONECT    8   19   21   21   20                                       
CONECT    9   20   22   22   53                                       
CONECT   10   12   11   54   55                                       
CONECT   11   24   10   56   57                                       
CONECT   12   13   10   58   59                                       
CONECT   13   14   12   60   61                                       
CONECT   14   13   24   62   63                                       
CONECT   15   28    1   18   18                                       
CONECT   16   20   20   17   64                                       
CONECT   17   16   23   23   65                                       
CONECT   18   15   15   25   66                                       
CONECT   19    5    8   67                                            
CONECT   20    8   16   16    9                                       
CONECT   21    8    8                                                 
CONECT   22    9    9   23   68                                       
CONECT   23   17   17   22   24                                       
CONECT   24   23   14   11                                            
CONECT   25   26   18   30                                            
CONECT   26   27   29   29   25                                       
CONECT   27   31   28   28   26                                       
CONECT   28   27   27   15                                            
CONECT   29   26   26                                                 
CONECT   30   25   69   70   71                                       
CONECT   31   32   27   72                                            
CONECT   32   37   37   33   31                                       
CONECT   33   34   34   32   73                                       
CONECT   34   35   33   33   74                                       
CONECT   35   38   36   36   34                                       
CONECT   36   35   35   37   75                                       
CONECT   37   36   32   32   76                                       
CONECT   38   39   40   40   35                                       
CONECT   39   41   45   38                                            
CONECT   40   38   38                                                 
CONECT   41   42   39   77   78                                       
CONECT   42   43   41   79   80                                       
CONECT   43   46   42   44                                            
CONECT   44   43   45   81   82                                       
CONECT   45   44   39   83   84                                       
CONECT   46   43   85   86   87                                       
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   22                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   41                                                      
CONECT   78   41                                                      
CONECT   79   42                                                      
CONECT   80   42                                                      
CONECT   81   44                                                      
CONECT   82   44                                                      
CONECT   83   45                                                      
CONECT   84   45                                                      
CONECT   85   46                                                      
CONECT   86   46                                                      
CONECT   87   46                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
