COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.994  -6.660  -1.800  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.009  -6.083  -0.848  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.659  -4.390  -0.253  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.369  -3.210  -0.919  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.307  -2.566   0.070  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.956  -0.874   0.665  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.667   0.307  -0.001  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.456   2.368   0.185  1.00  0.00           C  
HETATM    9  C   UNL     1     -11.458   3.299   0.746  1.00  0.00           C  
HETATM   10  C   UNL     1     -11.992   4.331  -0.051  1.00  0.00           C  
HETATM   11  C   UNL     1     -11.566   4.485  -1.409  1.00  0.00           C  
HETATM   12  C   UNL     1     -12.936   5.200   0.491  1.00  0.00           C  
HETATM   13  C   UNL     1     -13.343   5.047   1.803  1.00  0.00           C  
HETATM   14  C   UNL     1     -12.819   4.033   2.585  1.00  0.00           C  
HETATM   15  C   UNL     1     -11.886   3.158   2.064  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.815  -5.694  -1.935  1.00  0.00           C  
HETATM   17  C   UNL     1       0.279  -6.340  -2.788  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.288  -4.402  -2.605  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.256  -5.374  -0.547  1.00  0.00           C  
HETATM   20  C   UNL     1       6.048  -0.576   0.334  1.00  0.00           C  
HETATM   21  C   UNL     1       6.312   0.567  -0.649  1.00  0.00           C  
HETATM   22  C   UNL     1       5.886   2.780  -1.082  1.00  0.00           C  
HETATM   23  C   UNL     1       4.429   4.057   0.535  1.00  0.00           C  
HETATM   24  C   UNL     1       4.401   6.032  -0.357  1.00  0.00           C  
HETATM   25  C   UNL     1       5.196   5.214  -1.177  1.00  0.00           C  
HETATM   26  C   UNL     1       5.564   7.001  -2.575  1.00  0.00           C  
HETATM   27  C   UNL     1       4.230   7.377  -0.729  1.00  0.00           C  
HETATM   28  C   UNL     1       7.351   2.769  -0.593  1.00  0.00           C  
HETATM   29  C   UNL     1       7.638   1.279  -0.302  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.747  -5.016  -1.214  1.00  0.00           N  
HETATM   31  N   UNL     1      -7.044  -1.500  -0.296  1.00  0.00           N  
HETATM   32  N   UNL     1     -11.229   4.607  -2.487  1.00  0.00           N  
HETATM   33  N   UNL     1       5.194   3.974  -0.590  1.00  0.00           N  
HETATM   34  N   UNL     1       3.962   5.264   0.668  1.00  0.00           N  
HETATM   35  N   UNL     1       5.753   5.736  -2.265  1.00  0.00           N  
HETATM   36  N   UNL     1       4.826   7.809  -1.835  1.00  0.00           N  
HETATM   37  N   UNL     1       3.457   8.231   0.038  1.00  0.00           N  
HETATM   38  O   UNL     1      -1.527  -7.913  -1.296  1.00  0.00           O  
HETATM   39  O   UNL     1      -3.163  -6.578   0.249  1.00  0.00           O  
HETATM   40  O   UNL     1      -6.398  -3.008   1.196  1.00  0.00           O  
HETATM   41  O   UNL     1     -10.090   2.492  -0.968  1.00  0.00           O  
HETATM   42  O   UNL     1       0.845  -4.472  -0.673  1.00  0.00           O  
HETATM   43  O   UNL     1       0.715  -3.009   1.508  1.00  0.00           O  
HETATM   44  O   UNL     1       2.179  -5.061   1.387  1.00  0.00           O  
HETATM   45  O   UNL     1       2.918  -3.037   0.072  1.00  0.00           O  
HETATM   46  O   UNL     1       5.372  -3.768   0.667  1.00  0.00           O  
HETATM   47  O   UNL     1       4.077  -2.187   2.148  1.00  0.00           O  
HETATM   48  O   UNL     1       4.880  -1.293  -0.072  1.00  0.00           O  
HETATM   49  O   UNL     1       5.299   1.588  -0.517  1.00  0.00           O  
HETATM   50  O   UNL     1       8.224   3.256  -1.615  1.00  0.00           O  
HETATM   51  O   UNL     1       7.961   1.092   1.077  1.00  0.00           O  
HETATM   52  O   UNL     1       9.414  -0.968   0.949  1.00  0.00           O  
HETATM   53  O   UNL     1      10.584   1.261   1.140  1.00  0.00           O  
HETATM   54  O   UNL     1       9.285   0.217   3.174  1.00  0.00           O  
HETATM   55  P   UNL     1       1.675  -3.920   0.591  1.00  0.00           P  
HETATM   56  P   UNL     1       4.307  -2.563   0.735  1.00  0.00           P  
HETATM   57  P   UNL     1       9.313   0.371   1.571  1.00  0.00           P  
HETATM   58  S   UNL     1      -9.793   1.080   1.187  1.00  0.00           S  
HETATM   59  H   UNL     1      -2.455  -6.809  -2.776  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.091  -4.035   0.607  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.398  -5.121   0.075  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.630  -2.479  -1.247  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.936  -3.565  -1.779  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.389  -0.519   1.525  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.695  -1.605   0.993  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.928   1.037  -0.329  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.234  -0.049  -0.861  1.00  0.00           H  
HETATM   68  H   UNL     1     -13.349   5.994  -0.113  1.00  0.00           H  
HETATM   69  H   UNL     1     -14.075   5.722   2.219  1.00  0.00           H  
HETATM   70  H   UNL     1     -13.144   3.923   3.609  1.00  0.00           H  
HETATM   71  H   UNL     1     -11.481   2.369   2.681  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.149  -6.677  -3.732  1.00  0.00           H  
HETATM   73  H   UNL     1       1.064  -5.611  -2.985  1.00  0.00           H  
HETATM   74  H   UNL     1       0.699  -7.192  -2.255  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.998  -3.894  -1.952  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.432  -3.753  -2.786  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.771  -4.640  -3.552  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.035  -4.913   0.061  1.00  0.00           H  
HETATM   79  H   UNL     1       0.081  -6.294  -0.070  1.00  0.00           H  
HETATM   80  H   UNL     1       6.903  -1.250   0.346  1.00  0.00           H  
HETATM   81  H   UNL     1       5.893  -0.167   1.333  1.00  0.00           H  
HETATM   82  H   UNL     1       6.341   0.188  -1.671  1.00  0.00           H  
HETATM   83  H   UNL     1       5.848   2.743  -2.171  1.00  0.00           H  
HETATM   84  H   UNL     1       4.235   3.239   1.214  1.00  0.00           H  
HETATM   85  H   UNL     1       6.031   7.394  -3.466  1.00  0.00           H  
HETATM   86  H   UNL     1       7.456   3.365   0.313  1.00  0.00           H  
HETATM   87  H   UNL     1       8.445   0.914  -0.937  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.674  -4.662  -2.115  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.972  -1.146  -1.197  1.00  0.00           H  
HETATM   90  H   UNL     1       3.026   7.903   0.843  1.00  0.00           H  
HETATM   91  H   UNL     1       3.346   9.157  -0.228  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.105  -7.856  -0.429  1.00  0.00           H  
HETATM   93  H   UNL     1       0.348  -2.240   1.050  1.00  0.00           H  
HETATM   94  H   UNL     1       5.571  -4.067  -0.231  1.00  0.00           H  
HETATM   95  H   UNL     1       8.048   4.169  -1.880  1.00  0.00           H  
HETATM   96  H   UNL     1      10.583   2.153   1.513  1.00  0.00           H  
HETATM   97  H   UNL     1      10.070  -0.210   3.542  1.00  0.00           H  
CONECT    1   16    2   38   59                                       
CONECT    2   30   39   39    1                                       
CONECT    3    4   30   60   61                                       
CONECT    4    5    3   62   63                                       
CONECT    5   40   40   31    4                                       
CONECT    6    7   31   64   65                                       
CONECT    7   58    6   66   67                                       
CONECT    8    9   58   41   41                                       
CONECT    9   15   15   10    8                                       
CONECT   10   12   12    9   11                                       
CONECT   11   10   32   32   32                                       
CONECT   12   13   10   10   68                                       
CONECT   13   14   14   12   69                                       
CONECT   14   13   13   15   70                                       
CONECT   15   14    9    9   71                                       
CONECT   16   18   17    1   19                                       
CONECT   17   16   72   73   74                                       
CONECT   18   16   75   76   77                                       
CONECT   19   16   42   78   79                                       
CONECT   20   21   48   80   81                                       
CONECT   21   49   20   29   82                                       
CONECT   22   33   49   28   83                                       
CONECT   23   34   34   33   84                                       
CONECT   24   27   25   25   34                                       
CONECT   25   24   24   35   33                                       
CONECT   26   36   35   35   85                                       
CONECT   27   37   36   36   24                                       
CONECT   28   22   50   29   86                                       
CONECT   29   21   28   51   87                                       
CONECT   30    3    2   88                                            
CONECT   31    6    5   89                                            
CONECT   32   11   11   11                                            
CONECT   33   25   23   22                                            
CONECT   34   24   23   23                                            
CONECT   35   26   26   25                                            
CONECT   36   27   27   26                                            
CONECT   37   27   90   91                                            
CONECT   38    1   92                                                 
CONECT   39    2    2                                                 
CONECT   40    5    5                                                 
CONECT   41    8    8                                                 
CONECT   42   19   55                                                 
CONECT   43   55   93                                                 
CONECT   44   55   55                                                 
CONECT   45   55   56                                                 
CONECT   46   56   94                                                 
CONECT   47   56   56                                                 
CONECT   48   20   56                                                 
CONECT   49   22   21                                                 
CONECT   50   28   95                                                 
CONECT   51   29   57                                                 
CONECT   52   57   57                                                 
CONECT   53   57   96                                                 
CONECT   54   57   97                                                 
CONECT   55   44   44   42   45                                       
CONECT   55   43                                                      
CONECT   56   45   47   47   48                                       
CONECT   56   46                                                      
CONECT   57   51   52   52   54                                       
CONECT   57   53                                                      
CONECT   58    8    7                                                 
CONECT   59    1                                                      
CONECT   60    3                                                      
CONECT   61    3                                                      
CONECT   62    4                                                      
CONECT   63    4                                                      
CONECT   64    6                                                      
CONECT   65    6                                                      
CONECT   66    7                                                      
CONECT   67    7                                                      
CONECT   68   12                                                      
CONECT   69   13                                                      
CONECT   70   14                                                      
CONECT   71   15                                                      
CONECT   72   17                                                      
CONECT   73   17                                                      
CONECT   74   17                                                      
CONECT   75   18                                                      
CONECT   76   18                                                      
CONECT   77   18                                                      
CONECT   78   19                                                      
CONECT   79   19                                                      
CONECT   80   20                                                      
CONECT   81   20                                                      
CONECT   82   21                                                      
CONECT   83   22                                                      
CONECT   84   23                                                      
CONECT   85   26                                                      
CONECT   86   28                                                      
CONECT   87   29                                                      
CONECT   88   30                                                      
CONECT   89   31                                                      
CONECT   90   37                                                      
CONECT   91   37                                                      
CONECT   92   38                                                      
CONECT   93   43                                                      
CONECT   94   46                                                      
CONECT   95   50                                                      
CONECT   96   53                                                      
CONECT   97   54                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
