COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       4.321   2.377  -0.993  1.00  0.00           C  
HETATM    2  C   UNL     1       5.465   3.970   0.956  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.683   0.418   0.313  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.653  -0.861   3.052  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.377  -0.789   3.519  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.875  -1.541   2.473  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.513  -1.572   2.235  1.00  0.00           C  
HETATM    8  C   UNL     1       8.737  -1.511  -1.196  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.169   0.765  -3.431  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.509  -1.379  -4.036  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.791   0.239   1.839  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.271   0.282   1.674  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.169  -0.896   2.793  1.00  0.00           C  
HETATM   14  C   UNL     1       0.116   1.492   0.821  1.00  0.00           C  
HETATM   15  C   UNL     1       1.640   1.607   0.759  1.00  0.00           C  
HETATM   16  C   UNL     1       3.463   0.022   0.443  1.00  0.00           C  
HETATM   17  C   UNL     1       4.037  -1.230  -0.170  1.00  0.00           C  
HETATM   18  C   UNL     1       2.026   2.817  -0.094  1.00  0.00           C  
HETATM   19  C   UNL     1       3.521   3.003  -0.055  1.00  0.00           C  
HETATM   20  C   UNL     1       5.692   2.547  -0.957  1.00  0.00           C  
HETATM   21  C   UNL     1       6.264   3.344   0.018  1.00  0.00           C  
HETATM   22  C   UNL     1       4.093   3.799   0.920  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.623   0.673  -1.053  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.155  -0.115   4.102  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.516  -0.079   4.335  1.00  0.00           C  
HETATM   26  C   UNL     1       6.434  -1.340  -0.594  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.650   2.118  -1.614  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.343  -0.116  -2.169  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.539  -1.396  -2.487  1.00  0.00           C  
HETATM   30  C   UNL     1       3.197  -2.436   0.254  1.00  0.00           C  
HETATM   31  C   UNL     1       1.816  -2.408  -0.446  1.00  0.00           C  
HETATM   32  C   UNL     1       1.386  -3.896  -0.413  1.00  0.00           C  
HETATM   33  C   UNL     1       2.694  -4.674  -0.666  1.00  0.00           C  
HETATM   34  C   UNL     1       3.846  -3.746  -0.242  1.00  0.00           C  
HETATM   35  N   UNL     1      -2.418   0.010   0.534  1.00  0.00           N  
HETATM   36  N   UNL     1       2.198   0.391   0.163  1.00  0.00           N  
HETATM   37  N   UNL     1       5.417  -1.410   0.288  1.00  0.00           N  
HETATM   38  O   UNL     1      -0.403   1.329  -0.501  1.00  0.00           O  
HETATM   39  O   UNL     1       4.140   0.697   1.189  1.00  0.00           O  
HETATM   40  O   UNL     1      -4.304   0.977   1.195  1.00  0.00           O  
HETATM   41  O   UNL     1      -4.258   0.207  -0.886  1.00  0.00           O  
HETATM   42  O   UNL     1       7.692  -1.605  -0.193  1.00  0.00           O  
HETATM   43  O   UNL     1       6.216  -1.038  -1.751  1.00  0.00           O  
HETATM   44  O   UNL     1      -5.433   1.935  -3.028  1.00  0.00           O  
HETATM   45  O   UNL     1      -5.355   0.019  -4.355  1.00  0.00           O  
HETATM   46  H   UNL     1       3.874   1.751  -1.752  1.00  0.00           H  
HETATM   47  H   UNL     1       5.911   4.592   1.717  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.440  -0.765   3.705  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.547  -2.095   1.835  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.122  -2.151   1.412  1.00  0.00           H  
HETATM   51  H   UNL     1       9.699  -1.749  -0.742  1.00  0.00           H  
HETATM   52  H   UNL     1       8.532  -2.216  -2.002  1.00  0.00           H  
HETATM   53  H   UNL     1       8.765  -0.498  -1.598  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.133   1.033  -3.865  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.660  -1.953  -4.410  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.443  -1.765  -4.443  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.139   1.188   2.247  1.00  0.00           H  
HETATM   58  H   UNL     1       0.199   0.364   2.654  1.00  0.00           H  
HETATM   59  H   UNL     1       0.068  -0.631   1.184  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.633  -0.772   3.734  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.900  -1.852   2.344  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.299   2.397   1.264  1.00  0.00           H  
HETATM   63  H   UNL     1       2.036   1.732   1.767  1.00  0.00           H  
HETATM   64  H   UNL     1       4.023  -1.141  -1.257  1.00  0.00           H  
HETATM   65  H   UNL     1       1.708   2.652  -1.124  1.00  0.00           H  
HETATM   66  H   UNL     1       1.539   3.709   0.299  1.00  0.00           H  
HETATM   67  H   UNL     1       6.317   2.058  -1.689  1.00  0.00           H  
HETATM   68  H   UNL     1       7.335   3.478   0.046  1.00  0.00           H  
HETATM   69  H   UNL     1       3.469   4.288   1.653  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.173   0.609  -0.114  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.482   0.440   4.739  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.909   0.507   5.153  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.619   2.582  -1.431  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.849   2.714  -1.177  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.389  -0.315  -1.934  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.056  -2.282  -2.117  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.531  -1.335  -2.076  1.00  0.00           H  
HETATM   78  H   UNL     1       3.078  -2.456   1.337  1.00  0.00           H  
HETATM   79  H   UNL     1       1.113  -1.790   0.112  1.00  0.00           H  
HETATM   80  H   UNL     1       1.910  -2.056  -1.473  1.00  0.00           H  
HETATM   81  H   UNL     1       0.972  -4.152   0.562  1.00  0.00           H  
HETATM   82  H   UNL     1       0.661  -4.101  -1.202  1.00  0.00           H  
HETATM   83  H   UNL     1       2.708  -5.584  -0.067  1.00  0.00           H  
HETATM   84  H   UNL     1       2.783  -4.920  -1.724  1.00  0.00           H  
HETATM   85  H   UNL     1       4.494  -3.542  -1.094  1.00  0.00           H  
HETATM   86  H   UNL     1       4.419  -4.206   0.562  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.921  -0.437  -0.170  1.00  0.00           H  
HETATM   88  H   UNL     1       1.656  -0.149  -0.434  1.00  0.00           H  
HETATM   89  H   UNL     1       5.598  -1.579   1.225  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.076   0.541  -0.957  1.00  0.00           H  
CONECT    1   19   19   20   46                                       
CONECT    2   21   22   22   47                                       
CONECT    3   35   40   40   41                                       
CONECT    4    7    7   13   24                                       
CONECT    5    6    6   25   48                                       
CONECT    6    5    5    7   49                                       
CONECT    7    4    4    6   50                                       
CONECT    8   42   51   52   53                                       
CONECT    9   28   44   45   54                                       
CONECT   10   29   45   55   56                                       
CONECT   11   12   13   35   57                                       
CONECT   12   11   14   58   59                                       
CONECT   13    4   11   60   61                                       
CONECT   14   12   15   38   62                                       
CONECT   15   14   18   36   63                                       
CONECT   16   17   36   39   39                                       
CONECT   17   16   30   37   64                                       
CONECT   18   15   19   65   66                                       
CONECT   19    1    1   18   22                                       
CONECT   20    1   21   21   67                                       
CONECT   21    2   20   20   68                                       
CONECT   22    2    2   19   69                                       
CONECT   23   27   28   41   70                                       
CONECT   24    4   25   25   71                                       
CONECT   25    5   24   24   72                                       
CONECT   26   37   42   43   43                                       
CONECT   27   23   44   73   74                                       
CONECT   28    9   23   29   75                                       
CONECT   29   10   28   76   77                                       
CONECT   30   17   34   78   31                                       
CONECT   31   32   79   80   30                                       
CONECT   32   31   33   81   82                                       
CONECT   33   32   34   83   84                                       
CONECT   34   30   33   85   86                                       
CONECT   35    3   11   87                                            
CONECT   36   15   16   88                                            
CONECT   37   17   26   89                                            
CONECT   38   14   90                                                 
CONECT   39   16   16                                                 
CONECT   40    3    3                                                 
CONECT   41    3   23                                                 
CONECT   42    8   26                                                 
CONECT   43   26   26                                                 
CONECT   44    9   27                                                 
CONECT   45    9   10                                                 
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   38                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
