COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -7.958   5.893  -0.834  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.924   4.593  -0.029  1.00  0.00           C  
HETATM    3  O   UNL     1      -6.794   3.788  -0.455  1.00  0.00           O  
HETATM    4  C   UNL     1      -6.621   2.607   0.158  1.00  0.00           C  
HETATM    5  O   UNL     1      -7.389   2.257   1.023  1.00  0.00           O  
HETATM    6  C   UNL     1      -5.469   1.717  -0.232  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.502   0.441   0.612  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.332  -0.463   0.216  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.435  -1.790   0.970  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.691  -2.538   0.517  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.835  -3.870   1.289  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.147  -4.866   0.330  1.00  0.00           C  
HETATM   13  N   UNL     1      -5.263  -4.268  -1.005  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.562  -2.960  -0.930  1.00  0.00           C  
HETATM   15  O   UNL     1      -5.709  -2.225  -1.883  1.00  0.00           O  
HETATM   16  N   UNL     1      -3.069   0.196   0.557  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.954  -0.079  -0.149  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.979  -0.924  -1.018  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.676   0.665   0.142  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.796   2.104  -0.364  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.930   2.813   0.378  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.546   2.987   1.849  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.173   4.185  -0.252  1.00  0.00           C  
HETATM   24  N   UNL     1       0.441   0.001  -0.535  1.00  0.00           N  
HETATM   25  C   UNL     1       1.688   0.103  -0.037  1.00  0.00           C  
HETATM   26  O   UNL     1       1.876   0.675   1.016  1.00  0.00           O  
HETATM   27  C   UNL     1       2.851  -0.495  -0.786  1.00  0.00           C  
HETATM   28  N   UNL     1       4.104  -0.110  -0.132  1.00  0.00           N  
HETATM   29  C   UNL     1       5.198   0.154  -0.874  1.00  0.00           C  
HETATM   30  O   UNL     1       5.172  -0.015  -2.077  1.00  0.00           O  
HETATM   31  O   UNL     1       6.320   0.603  -0.282  1.00  0.00           O  
HETATM   32  C   UNL     1       7.460   0.866  -1.142  1.00  0.00           C  
HETATM   33  C   UNL     1       8.616   1.358  -0.309  1.00  0.00           C  
HETATM   34  C   UNL     1       9.518   0.456   0.222  1.00  0.00           C  
HETATM   35  C   UNL     1      10.578   0.908   0.987  1.00  0.00           C  
HETATM   36  C   UNL     1      10.735   2.261   1.219  1.00  0.00           C  
HETATM   37  C   UNL     1       9.832   3.163   0.688  1.00  0.00           C  
HETATM   38  C   UNL     1       8.776   2.712  -0.082  1.00  0.00           C  
HETATM   39  C   UNL     1       2.726  -2.020  -0.791  1.00  0.00           C  
HETATM   40  C   UNL     1       3.912  -2.627  -1.542  1.00  0.00           C  
HETATM   41  O   UNL     1       2.717  -2.501   0.555  1.00  0.00           O  
HETATM   42  C   UNL     1       1.780  -3.553   0.790  1.00  0.00           C  
HETATM   43  C   UNL     1       0.359  -3.028   0.577  1.00  0.00           C  
HETATM   44  C   UNL     1       2.049  -4.703  -0.184  1.00  0.00           C  
HETATM   45  C   UNL     1       1.928  -4.057   2.227  1.00  0.00           C  
HETATM   46  H   UNL     1      -8.057   5.661  -1.895  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.806   6.498  -0.514  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.034   6.448  -0.668  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.825   4.825   1.032  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.848   4.039  -0.194  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.553   1.456  -1.288  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.530   2.242  -0.061  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.418   0.702   1.667  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.441  -0.084   0.441  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.366  -0.651  -0.857  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.555  -2.397   0.759  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.495  -1.595   2.041  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.575  -1.916   0.656  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.314  -3.825   2.245  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.885  -4.127   1.431  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.097  -4.985   0.600  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.656  -5.829   0.358  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.140  -4.754  -1.835  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.035   0.830   1.290  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.496   0.672   1.217  1.00  0.00           H  
HETATM   66  H   UNL     1       0.141   2.631  -0.186  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.011   2.096  -1.433  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.839   2.215   0.309  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.382   3.428   2.393  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.304   2.016   2.279  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.678   3.643   1.922  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.447   4.061  -1.300  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.981   4.690   0.277  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.264   4.783  -0.183  1.00  0.00           H  
HETATM   75  H   UNL     1       0.282  -0.513  -1.343  1.00  0.00           H  
HETATM   76  H   UNL     1       2.849  -0.127  -1.813  1.00  0.00           H  
HETATM   77  H   UNL     1       4.146  -0.044   0.835  1.00  0.00           H  
HETATM   78  H   UNL     1       7.747  -0.052  -1.655  1.00  0.00           H  
HETATM   79  H   UNL     1       7.193   1.625  -1.878  1.00  0.00           H  
HETATM   80  H   UNL     1       9.396  -0.601   0.041  1.00  0.00           H  
HETATM   81  H   UNL     1      11.283   0.203   1.402  1.00  0.00           H  
HETATM   82  H   UNL     1      11.562   2.614   1.817  1.00  0.00           H  
HETATM   83  H   UNL     1       9.955   4.221   0.870  1.00  0.00           H  
HETATM   84  H   UNL     1       8.071   3.417  -0.497  1.00  0.00           H  
HETATM   85  H   UNL     1       1.798  -2.306  -1.285  1.00  0.00           H  
HETATM   86  H   UNL     1       4.842  -2.307  -1.071  1.00  0.00           H  
HETATM   87  H   UNL     1       3.844  -3.714  -1.511  1.00  0.00           H  
HETATM   88  H   UNL     1       3.896  -2.291  -2.579  1.00  0.00           H  
HETATM   89  H   UNL     1       0.265  -2.632  -0.434  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.354  -3.841   0.717  1.00  0.00           H  
HETATM   91  H   UNL     1       0.152  -2.236   1.297  1.00  0.00           H  
HETATM   92  H   UNL     1       3.055  -5.090  -0.019  1.00  0.00           H  
HETATM   93  H   UNL     1       1.322  -5.498  -0.018  1.00  0.00           H  
HETATM   94  H   UNL     1       1.963  -4.339  -1.208  1.00  0.00           H  
HETATM   95  H   UNL     1       1.735  -3.238   2.920  1.00  0.00           H  
HETATM   96  H   UNL     1       1.213  -4.860   2.406  1.00  0.00           H  
HETATM   97  H   UNL     1       2.940  -4.431   2.378  1.00  0.00           H  
CONECT    1    2   46   47   48                                       
CONECT    2    1    3   49   50                                       
CONECT    3    2    4                                                 
CONECT    4    3    6    5    5                                       
CONECT    5    4    4                                                 
CONECT    6    4    7   51   52                                       
CONECT    7    6    8   53   54                                       
CONECT    8   16    7    9   55                                       
CONECT    9    8   10   56   57                                       
CONECT   10   11    9   14   58                                       
CONECT   11   12   10   59   60                                       
CONECT   12   11   13   61   62                                       
CONECT   13   12   14   63                                            
CONECT   14   10   13   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   17    8   64                                            
CONECT   17   19   18   18   16                                       
CONECT   18   17   17                                                 
CONECT   19   20   24   17   65                                       
CONECT   20   21   19   66   67                                       
CONECT   21   22   23   20   68                                       
CONECT   22   21   69   70   71                                       
CONECT   23   21   72   73   74                                       
CONECT   24   19   25   75                                            
CONECT   25   24   27   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   28   39   25   76                                       
CONECT   28   29   27   77                                            
CONECT   29   30   30   31   28                                       
CONECT   30   29   29                                                 
CONECT   31   32   29                                                 
CONECT   32   33   31   78   79                                       
CONECT   33   38   38   34   32                                       
CONECT   34   35   35   33   80                                       
CONECT   35   36   34   34   81                                       
CONECT   36   37   37   35   82                                       
CONECT   37   36   36   38   83                                       
CONECT   38   37   33   33   84                                       
CONECT   39   41   27   40   85                                       
CONECT   40   39   86   87   88                                       
CONECT   41   42   39                                                 
CONECT   42   43   41   44   45                                       
CONECT   43   42   89   90   91                                       
CONECT   44   42   92   93   94                                       
CONECT   45   42   95   96   97                                       
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   16                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   40                                                      
CONECT   88   40                                                      
CONECT   89   43                                                      
CONECT   90   43                                                      
CONECT   91   43                                                      
CONECT   92   44                                                      
CONECT   93   44                                                      
CONECT   94   44                                                      
CONECT   95   45                                                      
CONECT   96   45                                                      
CONECT   97   45                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
