COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       7.891   6.040  -2.905  1.00  0.00           C  
HETATM    2  C   UNL     1       6.484   4.652  -1.732  1.00  0.00           C  
HETATM    3  C   UNL     1       5.450   5.590  -1.883  1.00  0.00           C  
HETATM    4  C   UNL     1       5.728   6.778  -2.582  1.00  0.00           C  
HETATM    5  C   UNL     1       4.646   3.919  -0.759  1.00  0.00           C  
HETATM    6  C   UNL     1       6.646   2.387  -0.614  1.00  0.00           C  
HETATM    7  C   UNL     1       7.366   2.594   0.743  1.00  0.00           C  
HETATM    8  C   UNL     1       7.463   1.147   1.283  1.00  0.00           C  
HETATM    9  C   UNL     1       6.372   0.381   0.511  1.00  0.00           C  
HETATM   10  C   UNL     1       5.373  -0.234   1.493  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.350  -5.110  -1.136  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.794  -5.057  -2.599  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.923  -6.064  -2.826  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.293  -3.648  -2.930  1.00  0.00           C  
HETATM   15  C   UNL     1       0.389  -5.405  -3.504  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.033  -5.806  -1.840  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.787  -4.384  -0.922  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.478  -3.063  -1.265  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.520  -2.755  -0.222  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.274  -1.334   0.696  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.965  -0.013   0.353  1.00  0.00           C  
HETATM   22  C   UNL     1     -10.818   1.840   0.998  1.00  0.00           C  
HETATM   23  C   UNL     1     -11.919   2.564   1.730  1.00  0.00           C  
HETATM   24  C   UNL     1     -13.487   5.932   0.608  1.00  0.00           C  
HETATM   25  C   UNL     1     -12.262   3.832   0.993  1.00  0.00           C  
HETATM   26  C   UNL     1     -13.340   4.743   1.522  1.00  0.00           C  
HETATM   27  N   UNL     1       6.950   6.952  -3.072  1.00  0.00           N  
HETATM   28  N   UNL     1       7.677   4.916  -2.255  1.00  0.00           N  
HETATM   29  N   UNL     1       4.748   7.739  -2.762  1.00  0.00           N  
HETATM   30  N   UNL     1       4.356   5.081  -1.267  1.00  0.00           N  
HETATM   31  N   UNL     1       5.948   3.609  -1.020  1.00  0.00           N  
HETATM   32  N   UNL     1      -3.773  -4.683  -1.937  1.00  0.00           N  
HETATM   33  N   UNL     1      -7.260  -1.633  -0.319  1.00  0.00           N  
HETATM   34  O   UNL     1       8.666   3.155   0.550  1.00  0.00           O  
HETATM   35  O   UNL     1       8.752   0.593   1.009  1.00  0.00           O  
HETATM   36  O   UNL     1       5.702   1.329  -0.340  1.00  0.00           O  
HETATM   37  O   UNL     1       4.433  -1.037   0.777  1.00  0.00           O  
HETATM   38  O   UNL     1       3.792  -2.714   2.552  1.00  0.00           O  
HETATM   39  O   UNL     1       2.209  -0.788   2.157  1.00  0.00           O  
HETATM   40  O   UNL     1       2.459  -2.734   0.408  1.00  0.00           O  
HETATM   41  O   UNL     1       0.704  -4.169  -0.924  1.00  0.00           O  
HETATM   42  O   UNL     1       0.388  -3.646   1.525  1.00  0.00           O  
HETATM   43  O   UNL     1       2.197  -5.300   0.922  1.00  0.00           O  
HETATM   44  O   UNL     1      -1.423  -7.390  -2.643  1.00  0.00           O  
HETATM   45  O   UNL     1      -3.260  -6.608  -0.959  1.00  0.00           O  
HETATM   46  O   UNL     1      -6.694  -3.518   0.706  1.00  0.00           O  
HETATM   47  O   UNL     1       9.003  -1.331   2.783  1.00  0.00           O  
HETATM   48  O   UNL     1      11.120  -0.434   1.508  1.00  0.00           O  
HETATM   49  O   UNL     1       9.915   0.983   3.214  1.00  0.00           O  
HETATM   50  O   UNL     1     -10.358   2.308  -0.022  1.00  0.00           O  
HETATM   51  O   UNL     1     -12.788   6.030  -0.373  1.00  0.00           O  
HETATM   52  O   UNL     1     -14.394   6.882   0.883  1.00  0.00           O  
HETATM   53  O   UNL     1     -11.674   4.119  -0.022  1.00  0.00           O  
HETATM   54  P   UNL     1       3.236  -1.837   1.497  1.00  0.00           P  
HETATM   55  P   UNL     1       1.414  -3.955   0.505  1.00  0.00           P  
HETATM   56  P   UNL     1       9.702  -0.025   2.152  1.00  0.00           P  
HETATM   57  S   UNL     1     -10.217   0.357   1.607  1.00  0.00           S  
HETATM   58  H   UNL     1       8.871   6.222  -3.321  1.00  0.00           H  
HETATM   59  H   UNL     1       3.958   3.291  -0.213  1.00  0.00           H  
HETATM   60  H   UNL     1       7.356   2.079  -1.382  1.00  0.00           H  
HETATM   61  H   UNL     1       6.770   3.219   1.408  1.00  0.00           H  
HETATM   62  H   UNL     1       7.259   1.127   2.353  1.00  0.00           H  
HETATM   63  H   UNL     1       6.827  -0.403  -0.095  1.00  0.00           H  
HETATM   64  H   UNL     1       5.907  -0.855   2.213  1.00  0.00           H  
HETATM   65  H   UNL     1       4.845   0.561   2.020  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.194  -4.862  -0.491  1.00  0.00           H  
HETATM   67  H   UNL     1       0.005  -6.113  -0.900  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.307  -5.957  -3.841  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.461  -2.947  -2.878  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.713  -3.639  -3.936  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.060  -3.357  -2.213  1.00  0.00           H  
HETATM   72  H   UNL     1       0.692  -6.436  -3.325  1.00  0.00           H  
HETATM   73  H   UNL     1       0.095  -5.288  -4.547  1.00  0.00           H  
HETATM   74  H   UNL     1       1.223  -4.738  -3.284  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.310  -4.302   0.055  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.525  -5.185  -0.899  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.739  -2.262  -1.288  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.955  -3.145  -2.242  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.797  -1.252   1.673  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.012  -2.135   0.719  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.226   0.788   0.330  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.442  -0.095  -0.624  1.00  0.00           H  
HETATM   83  H   UNL     1     -12.800   1.925   1.785  1.00  0.00           H  
HETATM   84  H   UNL     1     -11.585   2.809   2.738  1.00  0.00           H  
HETATM   85  H   UNL     1     -13.069   5.084   2.521  1.00  0.00           H  
HETATM   86  H   UNL     1     -14.284   4.201   1.568  1.00  0.00           H  
HETATM   87  H   UNL     1       3.858   7.597  -2.405  1.00  0.00           H  
HETATM   88  H   UNL     1       4.953   8.554  -3.246  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.635  -4.074  -2.678  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.122  -1.023  -1.060  1.00  0.00           H  
HETATM   91  H   UNL     1       8.661   4.026   0.130  1.00  0.00           H  
HETATM   92  H   UNL     1       1.805  -0.180   1.522  1.00  0.00           H  
HETATM   93  H   UNL     1       2.886  -5.563   0.297  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.065  -7.557  -1.761  1.00  0.00           H  
HETATM   95  H   UNL     1       8.833  -2.035   2.142  1.00  0.00           H  
HETATM   96  H   UNL     1      11.745  -0.814   2.141  1.00  0.00           H  
HETATM   97  H   UNL     1     -14.451   7.626   0.268  1.00  0.00           H  
CONECT    1   28   28   27   58                                       
CONECT    2   31   28    3    3                                       
CONECT    3    2    2   30    4                                       
CONECT    4    3   27   27   29                                       
CONECT    5   31   30   30   59                                       
CONECT    6    7   36   31   60                                       
CONECT    7    8   34    6   61                                       
CONECT    8   35    9    7   62                                       
CONECT    9    8   10   36   63                                       
CONECT   10   37    9   64   65                                       
CONECT   11   41   12   66   67                                       
CONECT   12   11   15   14   13                                       
CONECT   13   12   44   16   68                                       
CONECT   14   12   69   70   71                                       
CONECT   15   12   72   73   74                                       
CONECT   16   13   32   45   45                                       
CONECT   17   32   18   75   76                                       
CONECT   18   17   19   77   78                                       
CONECT   19   18   33   46   46                                       
CONECT   20   33   21   79   80                                       
CONECT   21   20   57   81   82                                       
CONECT   22   57   50   50   23                                       
CONECT   23   22   25   83   84                                       
CONECT   24   51   51   26   52                                       
CONECT   25   23   53   53   26                                       
CONECT   26   25   24   85   86                                       
CONECT   27    1    4    4                                            
CONECT   28    2    1    1                                            
CONECT   29    4   87   88                                            
CONECT   30    5    5    3                                            
CONECT   31    6    5    2                                            
CONECT   32   16   17   89                                            
CONECT   33   19   20   90                                            
CONECT   34    7   91                                                 
CONECT   35   56    8                                                 
CONECT   36    9    6                                                 
CONECT   37   54   10                                                 
CONECT   38   54   54                                                 
CONECT   39   54   92                                                 
CONECT   40   54   55                                                 
CONECT   41   55   11                                                 
CONECT   42   55   55                                                 
CONECT   43   55   93                                                 
CONECT   44   13   94                                                 
CONECT   45   16   16                                                 
CONECT   46   19   19                                                 
CONECT   47   56   95                                                 
CONECT   48   56   96                                                 
CONECT   49   56   56                                                 
CONECT   50   22   22                                                 
CONECT   51   24   24                                                 
CONECT   52   24   97                                                 
CONECT   53   25   25                                                 
CONECT   54   38   38   37   40                                       
CONECT   54   39                                                      
CONECT   55   42   42   40   41                                       
CONECT   55   43                                                      
CONECT   56   49   49   47   48                                       
CONECT   56   35                                                      
CONECT   57   21   22                                                 
CONECT   58    1                                                      
CONECT   59    5                                                      
CONECT   60    6                                                      
CONECT   61    7                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   11                                                      
CONECT   68   13                                                      
CONECT   69   14                                                      
CONECT   70   14                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   15                                                      
CONECT   74   15                                                      
CONECT   75   17                                                      
CONECT   76   17                                                      
CONECT   77   18                                                      
CONECT   78   18                                                      
CONECT   79   20                                                      
CONECT   80   20                                                      
CONECT   81   21                                                      
CONECT   82   21                                                      
CONECT   83   23                                                      
CONECT   84   23                                                      
CONECT   85   26                                                      
CONECT   86   26                                                      
CONECT   87   29                                                      
CONECT   88   29                                                      
CONECT   89   32                                                      
CONECT   90   33                                                      
CONECT   91   34                                                      
CONECT   92   39                                                      
CONECT   93   43                                                      
CONECT   94   44                                                      
CONECT   95   47                                                      
CONECT   96   48                                                      
CONECT   97   52                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
