COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.229   1.643  -0.867  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.038   0.511   0.464  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.746   2.865  -0.087  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.644   2.406   2.393  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.723   3.263   2.914  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.324  -3.205   0.735  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.326  -2.330  -0.044  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.023  -2.612  -1.525  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.092  -1.319  -2.335  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.503   0.993  -1.457  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.649   1.553  -0.589  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.906   3.460   1.541  1.00  0.00           C  
HETATM   13  C   UNL     1       0.140   4.523   1.398  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.533   3.739   3.513  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.370  -3.758  -0.337  1.00  0.00           C  
HETATM   16  C   UNL     1       1.692  -2.329  -0.455  1.00  0.00           C  
HETATM   17  C   UNL     1       2.945  -2.316   0.064  1.00  0.00           C  
HETATM   18  C   UNL     1       3.999  -1.306  -0.190  1.00  0.00           C  
HETATM   19  C   UNL     1       4.680  -0.724   0.880  1.00  0.00           C  
HETATM   20  C   UNL     1       5.663   0.211   0.644  1.00  0.00           C  
HETATM   21  C   UNL     1       5.979   0.575  -0.664  1.00  0.00           C  
HETATM   22  C   UNL     1       7.038   1.582  -0.918  1.00  0.00           C  
HETATM   23  C   UNL     1       7.356   1.948  -2.225  1.00  0.00           C  
HETATM   24  C   UNL     1       8.343   2.885  -2.455  1.00  0.00           C  
HETATM   25  C   UNL     1       9.016   3.460  -1.392  1.00  0.00           C  
HETATM   26  C   UNL     1       8.705   3.100  -0.093  1.00  0.00           C  
HETATM   27  C   UNL     1       7.716   2.169   0.149  1.00  0.00           C  
HETATM   28  C   UNL     1       5.299  -0.007  -1.734  1.00  0.00           C  
HETATM   29  C   UNL     1       4.316  -0.942  -1.499  1.00  0.00           C  
HETATM   30  C   UNL     1       3.052  -3.500   0.926  1.00  0.00           C  
HETATM   31  C   UNL     1       1.809  -4.152   0.852  1.00  0.00           C  
HETATM   32  C   UNL     1       2.606  -5.758   2.295  1.00  0.00           C  
HETATM   33  C   UNL     1       4.056  -4.054   1.731  1.00  0.00           C  
HETATM   34  N   UNL     1      -3.121   2.908   1.237  1.00  0.00           N  
HETATM   35  N   UNL     1      -2.821   2.619   3.378  1.00  0.00           N  
HETATM   36  N   UNL     1      -0.960   4.084   0.828  1.00  0.00           N  
HETATM   37  N   UNL     1       1.082   5.157   0.627  1.00  0.00           N  
HETATM   38  N   UNL     1       0.379   4.354   2.729  1.00  0.00           N  
HETATM   39  N   UNL     1       1.013  -3.420   0.012  1.00  0.00           N  
HETATM   40  N   UNL     1       1.635  -5.272   1.552  1.00  0.00           N  
HETATM   41  N   UNL     1       3.788  -5.176   2.393  1.00  0.00           N  
HETATM   42  N   UNL     1       5.296  -3.449   1.834  1.00  0.00           N  
HETATM   43  O   UNL     1      -2.005  -4.275   1.394  1.00  0.00           O  
HETATM   44  O   UNL     1      -3.668  -2.697   0.271  1.00  0.00           O  
HETATM   45  O   UNL     1      -6.184  -2.599   0.086  1.00  0.00           O  
HETATM   46  O   UNL     1      -4.848  -1.544  -1.778  1.00  0.00           O  
HETATM   47  O   UNL     1      -1.230  -0.336  -1.761  1.00  0.00           O  
HETATM   48  O   UNL     1      -2.343   2.043  -1.910  1.00  0.00           O  
HETATM   49  O   UNL     1      -4.674   1.380  -2.822  1.00  0.00           O  
HETATM   50  O   UNL     1      -4.981  -0.442   0.605  1.00  0.00           O  
HETATM   51  O   UNL     1      -5.161   2.733   0.050  1.00  0.00           O  
HETATM   52  O   UNL     1      -0.335   3.597   4.708  1.00  0.00           O  
HETATM   53  O   UNL     1      -1.032   1.081  -3.842  1.00  0.00           O  
HETATM   54  O   UNL     1       0.276   1.820  -1.813  1.00  0.00           O  
HETATM   55  O   UNL     1      -0.706  -3.169  -1.594  1.00  0.00           O  
HETATM   56  P   UNL     1      -4.948  -1.837  -0.198  1.00  0.00           P  
HETATM   57  P   UNL     1      -1.081   1.151  -2.364  1.00  0.00           P  
HETATM   58  H   UNL     1      -2.739   0.946  -0.191  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.210   1.007   1.419  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.948   0.000   0.150  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.513   3.777  -0.636  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.600   1.911   2.479  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.775  -2.602   1.458  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.158  -1.277   0.181  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.742  -3.333  -1.916  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.782  -1.518  -3.361  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.116  -0.947  -2.334  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.452  -0.092  -1.369  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.506   1.790  -1.215  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.477  -4.841  -0.401  1.00  0.00           H  
HETATM   71  H   UNL     1       1.290  -1.588  -1.130  1.00  0.00           H  
HETATM   72  H   UNL     1       4.434  -1.006   1.894  1.00  0.00           H  
HETATM   73  H   UNL     1       6.190   0.661   1.473  1.00  0.00           H  
HETATM   74  H   UNL     1       6.832   1.500  -3.055  1.00  0.00           H  
HETATM   75  H   UNL     1       8.591   3.170  -3.467  1.00  0.00           H  
HETATM   76  H   UNL     1       9.788   4.193  -1.577  1.00  0.00           H  
HETATM   77  H   UNL     1       9.230   3.556   0.733  1.00  0.00           H  
HETATM   78  H   UNL     1       7.473   1.888   1.164  1.00  0.00           H  
HETATM   79  H   UNL     1       5.544   0.276  -2.747  1.00  0.00           H  
HETATM   80  H   UNL     1       3.793  -1.395  -2.328  1.00  0.00           H  
HETATM   81  H   UNL     1       2.429  -6.668   2.848  1.00  0.00           H  
HETATM   82  H   UNL     1       0.930   5.277  -0.324  1.00  0.00           H  
HETATM   83  H   UNL     1       1.899   5.487   1.032  1.00  0.00           H  
HETATM   84  H   UNL     1       1.202   4.690   3.118  1.00  0.00           H  
HETATM   85  H   UNL     1       5.479  -2.631   1.346  1.00  0.00           H  
HETATM   86  H   UNL     1       5.983  -3.843   2.395  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.421  -4.872   1.880  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.909  -2.337  -2.329  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.458   1.001  -3.242  1.00  0.00           H  
HETATM   90  H   UNL     1       1.078   1.335  -2.050  1.00  0.00           H  
CONECT    1   48   10    3   58                                       
CONECT    2   11   50   59   60                                       
CONECT    3    1   34   51   61                                       
CONECT    4   34   35   35   62                                       
CONECT    5   12   12   14   35                                       
CONECT    6   15    7   43   63                                       
CONECT    7    8    6   44   64                                       
CONECT    8   55    9    7   65                                       
CONECT    9   47    8   66   67                                       
CONECT   10   49    1   11   68                                       
CONECT   11   10   51    2   69                                       
CONECT   12   36   34    5    5                                       
CONECT   13   37   36   36   38                                       
CONECT   14   38    5   52   52                                       
CONECT   15   55   39    6   70                                       
CONECT   16   17   17   39   71                                       
CONECT   17   18   16   16   30                                       
CONECT   18   19   19   29   17                                       
CONECT   19   20   18   18   72                                       
CONECT   20   21   21   19   73                                       
CONECT   21   22   20   20   28                                       
CONECT   22   27   21   23   23                                       
CONECT   23   22   22   24   74                                       
CONECT   24   25   25   23   75                                       
CONECT   25   26   24   24   76                                       
CONECT   26   27   27   25   77                                       
CONECT   27   26   26   22   78                                       
CONECT   28   21   29   29   79                                       
CONECT   29   28   28   18   80                                       
CONECT   30   17   31   31   33                                       
CONECT   31   39   30   30   40                                       
CONECT   32   40   40   41   81                                       
CONECT   33   30   42   41   41                                       
CONECT   34    3   12    4                                            
CONECT   35    5    4    4                                            
CONECT   36   13   13   12                                            
CONECT   37   13   82   83                                            
CONECT   38   13   14   84                                            
CONECT   39   16   15   31                                            
CONECT   40   31   32   32                                            
CONECT   41   33   33   32                                            
CONECT   42   33   85   86                                            
CONECT   43    6   87                                                 
CONECT   44    7   56                                                 
CONECT   45   56   56                                                 
CONECT   46   56   88                                                 
CONECT   47   57    9                                                 
CONECT   48   57    1                                                 
CONECT   49   10   89                                                 
CONECT   50   56    2                                                 
CONECT   51    3   11                                                 
CONECT   52   14   14                                                 
CONECT   53   57   57                                                 
CONECT   54   57   90                                                 
CONECT   55    8   15                                                 
CONECT   56   44   50   45   45                                       
CONECT   56   46                                                      
CONECT   57   53   53   54   47                                       
CONECT   57   48                                                      
CONECT   58    1                                                      
CONECT   59    2                                                      
CONECT   60    2                                                      
CONECT   61    3                                                      
CONECT   62    4                                                      
CONECT   63    6                                                      
CONECT   64    7                                                      
CONECT   65    8                                                      
CONECT   66    9                                                      
CONECT   67    9                                                      
CONECT   68   10                                                      
CONECT   69   11                                                      
CONECT   70   15                                                      
CONECT   71   16                                                      
CONECT   72   19                                                      
CONECT   73   20                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   32                                                      
CONECT   82   37                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   42                                                      
CONECT   86   42                                                      
CONECT   87   43                                                      
CONECT   88   46                                                      
CONECT   89   49                                                      
CONECT   90   54                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
