COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -7.363   6.401   3.059  1.00  0.00           N  
HETATM    2  C   UNL     1      -8.194   5.396   2.854  1.00  0.00           C  
HETATM    3  N   UNL     1      -7.837   4.301   2.217  1.00  0.00           N  
HETATM    4  C   UNL     1      -6.601   4.164   1.747  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.678   5.206   1.939  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.107   6.354   2.625  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.243   7.413   2.844  1.00  0.00           N  
HETATM    8  N   UNL     1      -4.511   4.815   1.372  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.656   3.629   0.856  1.00  0.00           C  
HETATM   10  N   UNL     1      -5.928   3.184   1.061  1.00  0.00           N  
HETATM   11  C   UNL     1      -6.476   1.896   0.630  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.202   2.040  -0.732  1.00  0.00           C  
HETATM   13  O   UNL     1      -8.560   2.443  -0.545  1.00  0.00           O  
HETATM   14  C   UNL     1      -7.126   0.600  -1.294  1.00  0.00           C  
HETATM   15  O   UNL     1      -8.344  -0.102  -1.040  1.00  0.00           O  
HETATM   16  C   UNL     1      -5.960  -0.046  -0.521  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.413   0.960   0.347  1.00  0.00           O  
HETATM   18  C   UNL     1      -4.888  -0.526  -1.501  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.868  -1.226  -0.786  1.00  0.00           O  
HETATM   20  C   UNL     1      13.145   6.446  -1.524  1.00  0.00           C  
HETATM   21  C   UNL     1      11.439   4.561  -2.980  1.00  0.00           C  
HETATM   22  C   UNL     1       2.087  -3.215   2.946  1.00  0.00           C  
HETATM   23  C   UNL     1       0.615  -5.163   3.475  1.00  0.00           C  
HETATM   24  O   UNL     1       7.461  -2.409  -0.645  1.00  0.00           O  
HETATM   25  O   UNL     1       4.405  -5.902   0.957  1.00  0.00           O  
HETATM   26  O   UNL     1      10.394   3.806   0.170  1.00  0.00           O  
HETATM   27  O   UNL     1      -9.613   0.382  -3.250  1.00  0.00           O  
HETATM   28  O   UNL     1      -3.039  -2.829  -2.625  1.00  0.00           O  
HETATM   29  O   UNL     1       0.503  -3.317  -1.571  1.00  0.00           O  
HETATM   30  O   UNL     1      12.576   5.298   0.524  1.00  0.00           O  
HETATM   31  O   UNL     1       2.652  -6.912   2.609  1.00  0.00           O  
HETATM   32  O   UNL     1      -8.462  -1.880  -2.925  1.00  0.00           O1-
HETATM   33  O   UNL     1     -10.571  -1.314  -1.591  1.00  0.00           O1-
HETATM   34  O   UNL     1      -1.711  -0.746  -2.112  1.00  0.00           O1-
HETATM   35  O   UNL     1      -1.126  -5.141  -0.950  1.00  0.00           O1-
HETATM   36  C   UNL     1       8.768  -0.052  -0.600  1.00  0.00           C  
HETATM   37  C   UNL     1       5.655  -3.512   0.955  1.00  0.00           C  
HETATM   38  C   UNL     1       9.293   1.339  -0.238  1.00  0.00           C  
HETATM   39  C   UNL     1       6.180  -2.121   1.316  1.00  0.00           C  
HETATM   40  C   UNL     1       1.337  -4.747   1.120  1.00  0.00           C  
HETATM   41  N   UNL     1       7.788  -0.479   0.401  1.00  0.00           N  
HETATM   42  N   UNL     1       4.674  -3.939   1.956  1.00  0.00           N  
HETATM   43  O   UNL     1       0.183  -3.931   0.910  1.00  0.00           O  
HETATM   44  O   UNL     1      -1.714  -2.689  -0.420  1.00  0.00           O  
HETATM   45  S   UNL     1      10.504   1.867  -1.475  1.00  0.00           S  
HETATM   46  C   UNL     1       7.188  -1.681   0.287  1.00  0.00           C  
HETATM   47  C   UNL     1       4.075  -5.141   1.842  1.00  0.00           C  
HETATM   48  C   UNL     1      10.917   3.406  -0.849  1.00  0.00           C  
HETATM   49  C   UNL     1      12.116   5.576  -0.800  1.00  0.00           C  
HETATM   50  C   UNL     1      11.931   4.263  -1.562  1.00  0.00           C  
HETATM   51  C   UNL     1       2.995  -5.540   2.814  1.00  0.00           C  
HETATM   52  C   UNL     1       1.758  -4.666   2.589  1.00  0.00           C  
HETATM   53  P   UNL     1      -9.253  -0.733  -2.210  1.00  0.00           P  
HETATM   54  P   UNL     1      -2.579  -1.871  -1.504  1.00  0.00           P  
HETATM   55  P   UNL     1      -0.534  -3.779  -0.523  1.00  0.00           P  
HETATM   56  H   UNL     1      -9.206   5.475   3.224  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.551   8.201   3.319  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.329   7.367   2.523  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.883   3.079   0.341  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.152   1.496   1.385  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.676   2.740  -1.381  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.660   3.302  -0.112  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.913   0.619  -2.363  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.327  -0.886   0.070  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.339  -1.193  -2.236  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.451   0.333  -2.010  1.00  0.00           H  
HETATM   67  H   UNL     1      14.097   5.918  -1.574  1.00  0.00           H  
HETATM   68  H   UNL     1      12.794   6.659  -2.534  1.00  0.00           H  
HETATM   69  H   UNL     1      13.276   7.382  -0.981  1.00  0.00           H  
HETATM   70  H   UNL     1      12.172   5.181  -3.496  1.00  0.00           H  
HETATM   71  H   UNL     1      11.307   3.626  -3.523  1.00  0.00           H  
HETATM   72  H   UNL     1      10.486   5.090  -2.930  1.00  0.00           H  
HETATM   73  H   UNL     1       2.495  -3.173   3.956  1.00  0.00           H  
HETATM   74  H   UNL     1       2.821  -2.825   2.241  1.00  0.00           H  
HETATM   75  H   UNL     1       1.179  -2.614   2.896  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.283  -4.580   3.271  1.00  0.00           H  
HETATM   77  H   UNL     1       0.421  -6.215   3.263  1.00  0.00           H  
HETATM   78  H   UNL     1       0.892  -5.049   4.523  1.00  0.00           H  
HETATM   79  H   UNL     1      13.420   4.828   0.557  1.00  0.00           H  
HETATM   80  H   UNL     1       2.323  -7.107   1.721  1.00  0.00           H  
HETATM   81  H   UNL     1       8.295  -0.018  -1.581  1.00  0.00           H  
HETATM   82  H   UNL     1       9.598  -0.759  -0.621  1.00  0.00           H  
HETATM   83  H   UNL     1       5.181  -3.478  -0.026  1.00  0.00           H  
HETATM   84  H   UNL     1       6.484  -4.219   0.934  1.00  0.00           H  
HETATM   85  H   UNL     1       8.463   2.046  -0.217  1.00  0.00           H  
HETATM   86  H   UNL     1       9.766   1.305   0.743  1.00  0.00           H  
HETATM   87  H   UNL     1       5.350  -1.414   1.337  1.00  0.00           H  
HETATM   88  H   UNL     1       6.653  -2.155   2.298  1.00  0.00           H  
HETATM   89  H   UNL     1       1.103  -5.781   0.866  1.00  0.00           H  
HETATM   90  H   UNL     1       2.152  -4.393   0.489  1.00  0.00           H  
HETATM   91  H   UNL     1       7.570   0.103   1.146  1.00  0.00           H  
HETATM   92  H   UNL     1       4.456  -3.357   2.701  1.00  0.00           H  
HETATM   93  H   UNL     1      11.164   6.105  -0.750  1.00  0.00           H  
HETATM   94  H   UNL     1      12.883   3.735  -1.612  1.00  0.00           H  
HETATM   95  H   UNL     1       3.355  -5.403   3.834  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    3   56                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   10                                       
CONECT    5    4    6    6    8                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6   57   58                                            
CONECT    8    5    9    9                                            
CONECT    9    8    8   10   59                                       
CONECT   10    4    9   11                                            
CONECT   11   10   12   17   60                                       
CONECT   12   11   13   14   61                                       
CONECT   13   12   62                                                 
CONECT   14   12   15   16   63                                       
CONECT   15   14   53                                                 
CONECT   16   14   17   18   64                                       
CONECT   17   11   16                                                 
CONECT   18   16   19   65   66                                       
CONECT   19   18   54                                                 
CONECT   20   49   67   68   69                                       
CONECT   21   50   70   71   72                                       
CONECT   22   52   73   74   75                                       
CONECT   23   52   76   77   78                                       
CONECT   24   46   46                                                 
CONECT   25   47   47                                                 
CONECT   26   48   48                                                 
CONECT   27   53   53                                                 
CONECT   28   54   54                                                 
CONECT   29   55   55                                                 
CONECT   30   49   79                                                 
CONECT   31   51   80                                                 
CONECT   32   53                                                      
CONECT   33   53                                                      
CONECT   34   54                                                      
CONECT   35   55                                                      
CONECT   36   38   41   81   82                                       
CONECT   37   39   42   83   84                                       
CONECT   38   36   45   85   86                                       
CONECT   39   37   46   87   88                                       
CONECT   40   43   52   89   90                                       
CONECT   41   36   46   91                                            
CONECT   42   37   47   92                                            
CONECT   43   40   55                                                 
CONECT   44   54   55                                                 
CONECT   45   38   48                                                 
CONECT   46   24   24   39   41                                       
CONECT   47   25   25   42   51                                       
CONECT   48   26   26   45   50                                       
CONECT   49   20   30   50   93                                       
CONECT   50   21   48   49   94                                       
CONECT   51   31   47   52   95                                       
CONECT   52   22   23   40   51                                       
CONECT   53   15   27   27   32                                       
CONECT   53   33                                                      
CONECT   54   19   28   28   34                                       
CONECT   54   44                                                      
CONECT   55   29   29   35   43                                       
CONECT   55   44                                                      
CONECT   56    2                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    9                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   16                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   39                                                      
CONECT   89   40                                                      
CONECT   90   40                                                      
CONECT   91   41                                                      
CONECT   92   42                                                      
CONECT   93   49                                                      
CONECT   94   50                                                      
CONECT   95   51                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
