COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.513  -1.294  -1.144  1.00  0.00           C  
HETATM    2  C   UNL     1      10.578   1.047  -1.641  1.00  0.00           C  
HETATM    3  C   UNL     1       0.695  -7.148   0.910  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.706   3.269  -1.995  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.478   2.094  -1.042  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.518   1.005  -1.316  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.289  -0.170  -0.363  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.869  -0.291  -0.103  1.00  0.00           C  
HETATM    9  C   UNL     1       0.224  -5.487  -0.748  1.00  0.00           C  
HETATM   10  C   UNL     1       9.475   1.249  -0.832  1.00  0.00           C  
HETATM   11  C   UNL     1       1.786  -0.235  -0.152  1.00  0.00           C  
HETATM   12  C   UNL     1       1.219  -4.850   1.334  1.00  0.00           C  
HETATM   13  C   UNL     1       0.730  -4.509   0.087  1.00  0.00           C  
HETATM   14  C   UNL     1       0.749  -3.070  -0.362  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.556  -2.389   0.054  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.537  -0.929  -0.402  1.00  0.00           C  
HETATM   17  C   UNL     1       8.892   0.180  -0.179  1.00  0.00           C  
HETATM   18  C   UNL     1       7.690   0.401   0.703  1.00  0.00           C  
HETATM   19  C   UNL     1       2.873   0.506   0.582  1.00  0.00           C  
HETATM   20  C   UNL     1       2.530   1.996   0.634  1.00  0.00           C  
HETATM   21  C   UNL     1       3.568   2.729   1.485  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.402  -1.203  -0.551  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.720  -0.602  -0.134  1.00  0.00           C  
HETATM   24  C   UNL     1       3.225   4.219   1.536  1.00  0.00           C  
HETATM   25  C   UNL     1       9.411  -1.092  -0.335  1.00  0.00           C  
HETATM   26  C   UNL     1      11.097  -0.225  -1.797  1.00  0.00           C  
HETATM   27  O   UNL     1       6.479   0.265  -0.086  1.00  0.00           O  
HETATM   28  C   UNL     1       5.309   0.434   0.557  1.00  0.00           C  
HETATM   29  O   UNL     1       5.299   0.688   1.745  1.00  0.00           O  
HETATM   30  N   UNL     1       4.147   0.322  -0.118  1.00  0.00           N  
HETATM   31  C   UNL     1       4.264   4.953   2.388  1.00  0.00           C  
HETATM   32  N   UNL     1       3.934   6.384   2.437  1.00  0.00           N  
HETATM   33  O   UNL     1       2.049  -0.855  -1.161  1.00  0.00           O  
HETATM   34  N   UNL     1       0.520  -0.208   0.312  1.00  0.00           N  
HETATM   35  C   UNL     1       1.202  -6.170   1.746  1.00  0.00           C  
HETATM   36  C   UNL     1       0.206  -6.806  -0.337  1.00  0.00           C  
HETATM   37  O   UNL     1      -1.930   0.670   0.634  1.00  0.00           O  
HETATM   38  N   UNL     1      -2.994  -0.789  -0.654  1.00  0.00           N  
HETATM   39  C   UNL     1      -2.666   4.357  -1.721  1.00  0.00           C  
HETATM   40  O   UNL     1      -5.468  -1.588  -1.925  1.00  0.00           O  
HETATM   41  O   UNL     1      -7.367  -0.889   1.007  1.00  0.00           O  
HETATM   42  C   UNL     1      -8.507  -0.164   1.038  1.00  0.00           C  
HETATM   43  C   UNL     1      -9.549  -0.048   1.945  1.00  0.00           C  
HETATM   44  C   UNL     1     -10.601   0.804   1.678  1.00  0.00           C  
HETATM   45  C   UNL     1     -10.624   1.547   0.507  1.00  0.00           C  
HETATM   46  C   UNL     1      -9.598   1.444  -0.405  1.00  0.00           C  
HETATM   47  C   UNL     1      -8.527   0.586  -0.148  1.00  0.00           C  
HETATM   48  N   UNL     1      -7.389   0.271  -0.825  1.00  0.00           N  
HETATM   49  N   UNL     1      -2.886   5.485  -2.636  1.00  0.00           N  
HETATM   50  H   UNL     1      10.921  -2.287  -1.263  1.00  0.00           H  
HETATM   51  H   UNL     1      11.033   1.883  -2.152  1.00  0.00           H  
HETATM   52  H   UNL     1       0.686  -8.179   1.230  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.611   2.925  -3.025  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.706   3.674  -1.838  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.478   1.688  -1.198  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.573   2.437  -0.012  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.517   1.411  -1.159  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.422   0.662  -2.346  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.297   0.190   0.666  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.159  -5.220  -1.722  1.00  0.00           H  
HETATM   61  H   UNL     1       9.071   2.243  -0.710  1.00  0.00           H  
HETATM   62  H   UNL     1       1.615  -4.086   1.987  1.00  0.00           H  
HETATM   63  H   UNL     1       1.591  -2.556   0.102  1.00  0.00           H  
HETATM   64  H   UNL     1       0.851  -3.030  -1.446  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.398  -2.903  -0.410  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.658  -2.430   1.138  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.346  -0.885  -1.474  1.00  0.00           H  
HETATM   68  H   UNL     1       7.687  -0.339   1.504  1.00  0.00           H  
HETATM   69  H   UNL     1       7.734   1.401   1.133  1.00  0.00           H  
HETATM   70  H   UNL     1       2.957   0.117   1.597  1.00  0.00           H  
HETATM   71  H   UNL     1       2.534   2.405  -0.377  1.00  0.00           H  
HETATM   72  H   UNL     1       1.541   2.126   1.074  1.00  0.00           H  
HETATM   73  H   UNL     1       3.564   2.320   2.495  1.00  0.00           H  
HETATM   74  H   UNL     1       4.557   2.599   1.044  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.192  -2.079   0.063  1.00  0.00           H  
HETATM   76  H   UNL     1       3.229   4.628   0.526  1.00  0.00           H  
HETATM   77  H   UNL     1       2.237   4.349   1.977  1.00  0.00           H  
HETATM   78  H   UNL     1       8.955  -1.927   0.175  1.00  0.00           H  
HETATM   79  H   UNL     1      11.958  -0.383  -2.429  1.00  0.00           H  
HETATM   80  H   UNL     1       4.155   0.120  -1.066  1.00  0.00           H  
HETATM   81  H   UNL     1       4.260   4.544   3.398  1.00  0.00           H  
HETATM   82  H   UNL     1       5.252   4.823   1.947  1.00  0.00           H  
HETATM   83  H   UNL     1       4.606   6.890   2.994  1.00  0.00           H  
HETATM   84  H   UNL     1       3.868   6.772   1.508  1.00  0.00           H  
HETATM   85  H   UNL     1       0.310   0.288   1.118  1.00  0.00           H  
HETATM   86  H   UNL     1       1.583  -6.437   2.720  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.189  -7.571  -0.989  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.945  -1.558  -1.243  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.762   4.700  -0.691  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.667   3.952  -1.877  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.652  -0.856  -2.530  1.00  0.00           H  
HETATM   92  H   UNL     1      -9.538  -0.624   2.858  1.00  0.00           H  
HETATM   93  H   UNL     1     -11.411   0.893   2.386  1.00  0.00           H  
HETATM   94  H   UNL     1     -11.453   2.210   0.310  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.621   2.024  -1.315  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.828   5.838  -2.556  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.211   6.218  -2.475  1.00  0.00           H  
CONECT    1   25   25   26   50                                       
CONECT    2   10   26   26   51                                       
CONECT    3   35   35   36   52                                       
CONECT    4    5   39   53   54                                       
CONECT    5    4    6   55   56                                       
CONECT    6    5    7   57   58                                       
CONECT    7    6   22   38   59                                       
CONECT    8   16   37   37   38                                       
CONECT    9   13   36   36   60                                       
CONECT   10    2   17   17   61                                       
CONECT   11   19   33   33   34                                       
CONECT   12   13   13   35   62                                       
CONECT   13    9   12   12   14                                       
CONECT   14   13   15   63   64                                       
CONECT   15   14   16   65   66                                       
CONECT   16    8   15   34   67                                       
CONECT   17   10   10   18   25                                       
CONECT   18   17   27   68   69                                       
CONECT   19   11   20   30   70                                       
CONECT   20   19   21   71   72                                       
CONECT   21   20   24   73   74                                       
CONECT   22    7   23   40   75                                       
CONECT   23   22   41   48   48                                       
CONECT   24   21   31   76   77                                       
CONECT   25    1    1   17   78                                       
CONECT   26    1    2    2   79                                       
CONECT   27   18   28                                                 
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   19   28   80                                            
CONECT   31   24   32   81   82                                       
CONECT   32   31   83   84                                            
CONECT   33   11   11                                                 
CONECT   34   11   16   85                                            
CONECT   35    3    3   12   86                                       
CONECT   36    3    9    9   87                                       
CONECT   37    8    8                                                 
CONECT   38    7    8   88                                            
CONECT   39    4   49   89   90                                       
CONECT   40   22   91                                                 
CONECT   41   23   42                                                 
CONECT   42   41   43   43   47                                       
CONECT   43   42   42   44   92                                       
CONECT   44   43   45   45   93                                       
CONECT   45   44   44   46   94                                       
CONECT   46   45   47   47   95                                       
CONECT   47   42   46   46   48                                       
CONECT   48   23   23   47                                            
CONECT   49   39   96   97                                            
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   12                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   21                                                      
CONECT   75   22                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   36                                                      
CONECT   88   38                                                      
CONECT   89   39                                                      
CONECT   90   39                                                      
CONECT   91   40                                                      
CONECT   92   43                                                      
CONECT   93   44                                                      
CONECT   94   45                                                      
CONECT   95   46                                                      
CONECT   96   49                                                      
CONECT   97   49                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
