COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.117  -6.346  -8.958  1.00  0.00           C  
HETATM    2  C   UNL     1       2.040  -5.372  -9.306  1.00  0.00           C  
HETATM    3  O   UNL     1       0.986  -5.781  -9.779  1.00  0.00           O  
HETATM    4  N   UNL     1       2.367  -4.054  -9.046  1.00  0.00           N  
HETATM    5  C   UNL     1       1.472  -2.951  -9.309  1.00  0.00           C  
HETATM    6  C   UNL     1       2.245  -1.689  -9.702  1.00  0.00           C  
HETATM    7  O   UNL     1       2.912  -1.928 -10.943  1.00  0.00           O  
HETATM    8  C   UNL     1       1.286  -0.508  -9.879  1.00  0.00           C  
HETATM    9  O   UNL     1       2.067   0.674 -10.040  1.00  0.00           O  
HETATM   10  C   UNL     1       0.349  -0.366  -8.673  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.727   0.692  -8.905  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.552   0.754  -7.757  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.328  -1.599  -8.406  1.00  0.00           O  
HETATM   14  C   UNL     1       0.558  -2.681  -8.110  1.00  0.00           C  
HETATM   15  O   UNL     1       1.333  -2.432  -6.939  1.00  0.00           O  
HETATM   16  C   UNL     1       0.628  -2.182  -5.792  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.596  -2.162  -5.723  1.00  0.00           O  
HETATM   18  N   UNL     1       1.498  -1.959  -4.746  1.00  0.00           N  
HETATM   19  C   UNL     1       1.071  -1.667  -3.397  1.00  0.00           C  
HETATM   20  C   UNL     1       0.903  -0.174  -3.148  1.00  0.00           C  
HETATM   21  C   UNL     1       2.188   0.612  -3.381  1.00  0.00           C  
HETATM   22  O   UNL     1       1.941   1.985  -3.110  1.00  0.00           O  
HETATM   23  C   UNL     1       3.105   2.774  -3.310  1.00  0.00           C  
HETATM   24  C   UNL     1       2.773   4.227  -3.030  1.00  0.00           C  
HETATM   25  O   UNL     1       1.759   4.654  -3.931  1.00  0.00           O  
HETATM   26  C   UNL     1       1.406   6.013  -3.713  1.00  0.00           C  
HETATM   27  C   UNL     1       0.326   6.408  -4.701  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.803   5.562  -4.517  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.859   5.903  -5.405  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.032   4.962  -5.156  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.214   5.236  -6.076  1.00  0.00           C  
HETATM   32  N   UNL     1      -3.881   5.074  -7.465  1.00  0.00           N  
HETATM   33  C   UNL     1      -4.002   3.881  -8.154  1.00  0.00           C  
HETATM   34  O   UNL     1      -4.403   2.823  -7.682  1.00  0.00           O  
HETATM   35  O   UNL     1      -3.607   4.051  -9.452  1.00  0.00           O  
HETATM   36  C   UNL     1      -3.682   2.893 -10.281  1.00  0.00           C  
HETATM   37  O   UNL     1      -5.004   2.350 -10.323  1.00  0.00           O  
HETATM   38  C   UNL     1      -5.973   3.251 -10.869  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.328   2.553 -10.786  1.00  0.00           C  
HETATM   40  O   UNL     1      -7.582   2.222  -9.434  1.00  0.00           O  
HETATM   41  C   UNL     1      -5.611   3.637 -12.308  1.00  0.00           C  
HETATM   42  O   UNL     1      -6.493   4.650 -12.786  1.00  0.00           O  
HETATM   43  C   UNL     1      -4.180   4.174 -12.397  1.00  0.00           C  
HETATM   44  O   UNL     1      -3.813   4.278 -13.774  1.00  0.00           O  
HETATM   45  C   UNL     1      -3.206   3.220 -11.700  1.00  0.00           C  
HETATM   46  N   UNL     1      -1.864   3.754 -11.690  1.00  0.00           N  
HETATM   47  C   UNL     1      -0.799   3.138 -12.322  1.00  0.00           C  
HETATM   48  C   UNL     1       0.496   3.868 -12.183  1.00  0.00           C  
HETATM   49  O   UNL     1      -0.838   2.091 -12.957  1.00  0.00           O  
HETATM   50  H   UNL     1       2.786  -7.090  -8.215  1.00  0.00           H  
HETATM   51  H   UNL     1       3.451  -6.933  -9.829  1.00  0.00           H  
HETATM   52  H   UNL     1       4.034  -5.904  -8.537  1.00  0.00           H  
HETATM   53  H   UNL     1       3.281  -3.852  -8.650  1.00  0.00           H  
HETATM   54  H   UNL     1       0.860  -3.264 -10.165  1.00  0.00           H  
HETATM   55  H   UNL     1       3.022  -1.451  -8.966  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.058  -3.562  -7.902  1.00  0.00           H  
HETATM   57  H   UNL     1       2.217  -2.044 -11.608  1.00  0.00           H  
HETATM   58  H   UNL     1       0.705  -0.644 -10.800  1.00  0.00           H  
HETATM   59  H   UNL     1       2.792   0.445 -10.643  1.00  0.00           H  
HETATM   60  H   UNL     1       0.913  -0.058  -7.785  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.332   0.423  -9.771  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.262   1.665  -9.069  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.447   0.491  -8.034  1.00  0.00           H  
HETATM   64  H   UNL     1       2.494  -2.003  -4.933  1.00  0.00           H  
HETATM   65  H   UNL     1       1.832  -2.077  -2.725  1.00  0.00           H  
HETATM   66  H   UNL     1       0.133  -2.203  -3.219  1.00  0.00           H  
HETATM   67  H   UNL     1       0.122   0.218  -3.812  1.00  0.00           H  
HETATM   68  H   UNL     1       0.547   0.007  -2.126  1.00  0.00           H  
HETATM   69  H   UNL     1       2.989   0.269  -2.719  1.00  0.00           H  
HETATM   70  H   UNL     1       2.520   0.517  -4.420  1.00  0.00           H  
HETATM   71  H   UNL     1       3.884   2.410  -2.633  1.00  0.00           H  
HETATM   72  H   UNL     1       3.430   2.649  -4.347  1.00  0.00           H  
HETATM   73  H   UNL     1       3.649   4.867  -3.173  1.00  0.00           H  
HETATM   74  H   UNL     1       2.395   4.343  -2.009  1.00  0.00           H  
HETATM   75  H   UNL     1       1.054   6.112  -2.682  1.00  0.00           H  
HETATM   76  H   UNL     1       2.300   6.626  -3.858  1.00  0.00           H  
HETATM   77  H   UNL     1       0.673   6.294  -5.732  1.00  0.00           H  
HETATM   78  H   UNL     1       0.011   7.442  -4.530  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.489   5.813  -6.431  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.147   6.942  -5.219  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.354   5.064  -4.112  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.694   3.923  -5.265  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.028   4.537  -5.860  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.591   6.254  -5.939  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.534   5.887  -7.971  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.030   2.137  -9.832  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.151   2.292 -12.284  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.036   4.146 -10.238  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.313   1.642 -11.384  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.111   3.218 -11.148  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.717   2.771 -12.974  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.731   1.969  -9.037  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.995   5.161 -13.442  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.118   5.186 -11.977  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.701   3.370 -14.095  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.694   4.625 -11.195  1.00  0.00           H  
HETATM   97  H   UNL     1       1.273   3.257 -11.696  1.00  0.00           H  
HETATM   98  H   UNL     1       0.922   4.157 -13.157  1.00  0.00           H  
HETATM   99  H   UNL     1       0.452   4.800 -11.598  1.00  0.00           H  
CONECT    1    2   50   51   52                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   53                                            
CONECT    5    4    6   14   54                                       
CONECT    6    5    7    8   55                                       
CONECT    7    6   57                                                 
CONECT    8    6    9   10   58                                       
CONECT    9    8   59                                                 
CONECT   10    8   11   13   60                                       
CONECT   11   10   12   61   62                                       
CONECT   12   11   63                                                 
CONECT   13   10   14                                                 
CONECT   14    5   13   15   56                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   64                                            
CONECT   19   18   20   65   66                                       
CONECT   20   19   21   67   68                                       
CONECT   21   20   22   69   70                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   71   72                                       
CONECT   24   23   25   73   74                                       
CONECT   25   24   26                                                 
CONECT   26   25   27   75   76                                       
CONECT   27   26   28   77   78                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   79   80                                       
CONECT   30   29   31   81   82                                       
CONECT   31   30   32   83   84                                       
CONECT   32   31   33   85                                            
CONECT   33   32   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36                                                 
CONECT   36   35   37   45   86                                       
CONECT   37   36   38                                                 
CONECT   38   37   39   41   88                                       
CONECT   39   38   40   89   90                                       
CONECT   40   39   92                                                 
CONECT   41   38   42   43   91                                       
CONECT   42   41   93                                                 
CONECT   43   41   44   45   94                                       
CONECT   44   43   95                                                 
CONECT   45   36   43   46   87                                       
CONECT   46   45   47   96                                            
CONECT   47   46   48   49   49                                       
CONECT   48   47   97   98   99                                       
CONECT   49   47   47                                                 
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56   14                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   27                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   30                                                      
CONECT   83   31                                                      
CONECT   84   31                                                      
CONECT   85   32                                                      
CONECT   86   36                                                      
CONECT   87   45                                                      
CONECT   88   38                                                      
CONECT   89   39                                                      
CONECT   90   39                                                      
CONECT   91   41                                                      
CONECT   92   40                                                      
CONECT   93   42                                                      
CONECT   94   43                                                      
CONECT   95   44                                                      
CONECT   96   46                                                      
CONECT   97   48                                                      
CONECT   98   48                                                      
CONECT   99   48                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
