COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.017   0.795  -2.897  1.00  0.00           C  
HETATM    2  C   UNL     1     -11.361   0.529  -3.059  1.00  0.00           C  
HETATM    3  C   UNL     1     -12.000  -0.358  -2.211  1.00  0.00           C  
HETATM    4  C   UNL     1     -13.469  -0.644  -2.394  1.00  0.00           C  
HETATM    5  O   UNL     1     -13.631  -1.749  -3.286  1.00  0.00           O  
HETATM    6  C   UNL     1     -11.298  -0.984  -1.197  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.954  -0.726  -1.024  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.302   0.167  -1.876  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.862   0.448  -1.696  1.00  0.00           C  
HETATM   10  O   UNL     1      -7.297   1.227  -2.439  1.00  0.00           O  
HETATM   11  N   UNL     1      -7.175  -0.160  -0.709  1.00  0.00           N  
HETATM   12  C   UNL     1      -5.747   0.118  -0.531  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.213  -0.695   0.650  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.744  -0.409   0.833  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.181   0.369   0.092  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.827  -1.630   1.087  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.057  -1.017   1.820  1.00  0.00           N  
HETATM   18  O   UNL     1      -1.391  -2.421   0.360  1.00  0.00           O  
HETATM   19  CA  UNL     1      -1.630  -0.738   1.998  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.235  -1.007   3.452  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.947  -0.032   4.354  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.132   1.721   4.537  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.180   2.492   3.216  1.00  0.00           C  
HETATM   24  C   UNL     1       1.201   3.082   2.920  1.00  0.00           C  
HETATM   25  C   UNL     1       1.153   3.852   1.599  1.00  0.00           C  
HETATM   26  C   UNL     1       2.533   4.442   1.303  1.00  0.00           C  
HETATM   27  C   UNL     1       2.486   5.213  -0.018  1.00  0.00           C  
HETATM   28  C   UNL     1       3.866   5.803  -0.314  1.00  0.00           C  
HETATM   29  C   UNL     1       3.819   6.573  -1.635  1.00  0.00           C  
HETATM   30  C   UNL     1       5.178   7.154  -1.927  1.00  0.00           C  
HETATM   31  C   UNL     1       5.505   8.415  -1.464  1.00  0.00           C  
HETATM   32  C   UNL     1       6.753   8.948  -1.731  1.00  0.00           C  
HETATM   33  C   UNL     1       7.673   8.219  -2.462  1.00  0.00           C  
HETATM   34  C   UNL     1       7.346   6.959  -2.925  1.00  0.00           C  
HETATM   35  C   UNL     1       6.101   6.424  -2.653  1.00  0.00           C  
HETATM   36  N   UNL     1      -1.454   1.157   4.821  1.00  0.00           N  
HETATM   37  C   UNL     1      -3.192  -0.160   4.851  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.414   1.712   5.592  1.00  0.00           C  
HETATM   39  N   UNL     1      -3.451   0.919   5.605  1.00  0.00           N  
HETATM   40  N   UNL     1       0.518  -1.550   1.079  1.00  0.00           N  
HETATM   41  CA  UNL     1       1.299  -2.417   0.193  1.00  0.00           C  
HETATM   42  C   UNL     1       2.682  -2.602   0.762  1.00  0.00           C  
HETATM   43  O   UNL     1       2.986  -2.063   1.805  1.00  0.00           O  
HETATM   44  C   UNL     1       1.399  -1.774  -1.192  1.00  0.00           C  
HETATM   45  O   UNL     1       2.145  -0.558  -1.099  1.00  0.00           O  
HETATM   46  N   UNL     1       3.581  -3.367   0.112  1.00  0.00           N  
HETATM   47  C   UNL     1       4.926  -3.547   0.665  1.00  0.00           C  
HETATM   48  C   UNL     1       5.516  -4.862   0.153  1.00  0.00           C  
HETATM   49  C   UNL     1       4.562  -6.012   0.483  1.00  0.00           C  
HETATM   50  O   UNL     1       5.697  -4.785  -1.262  1.00  0.00           O  
HETATM   51  P   UNL     1       7.133  -4.944  -1.973  1.00  0.00           P  
HETATM   52  O   UNL     1       8.082  -3.969  -1.392  1.00  0.00           O  
HETATM   53  O   UNL     1       7.686  -6.438  -1.736  1.00  0.00           O  
HETATM   54  O   UNL     1       6.983  -4.672  -3.553  1.00  0.00           O  
HETATM   55  C   UNL     1       5.804  -2.401   0.233  1.00  0.00           C  
HETATM   56  O   UNL     1       5.352  -1.520  -0.467  1.00  0.00           O  
HETATM   57  N   UNL     1       7.093  -2.354   0.626  1.00  0.00           N  
HETATM   58  H   UNL     1      -9.517   1.484  -3.562  1.00  0.00           H  
HETATM   59  H   UNL     1     -11.915   1.015  -3.849  1.00  0.00           H  
HETATM   60  H   UNL     1     -13.914  -0.887  -1.430  1.00  0.00           H  
HETATM   61  H   UNL     1     -13.961   0.235  -2.811  1.00  0.00           H  
HETATM   62  H   UNL     1     -14.553  -1.989  -3.450  1.00  0.00           H  
HETATM   63  H   UNL     1     -11.803  -1.675  -0.539  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.407  -1.215  -0.231  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.625  -0.782  -0.116  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.207  -0.159  -1.437  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.606   1.181  -0.334  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.752  -0.418   1.556  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.354  -1.758   0.453  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.508  -1.638   2.413  1.00  0.00           H  
HETATM   71  HA  UNL     1      -1.430   0.305   1.754  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.517  -2.025   3.723  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.158  -0.886   3.564  1.00  0.00           H  
HETATM   74  H   UNL     1       0.598   0.916   4.462  1.00  0.00           H  
HETATM   75  H   UNL     1       0.154   2.398   5.343  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.467   1.816   2.411  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.910   3.297   3.292  1.00  0.00           H  
HETATM   78  H   UNL     1       1.487   3.758   3.725  1.00  0.00           H  
HETATM   79  H   UNL     1       1.931   2.276   2.845  1.00  0.00           H  
HETATM   80  H   UNL     1       0.866   3.176   0.794  1.00  0.00           H  
HETATM   81  H   UNL     1       0.422   4.658   1.675  1.00  0.00           H  
HETATM   82  H   UNL     1       2.820   5.119   2.108  1.00  0.00           H  
HETATM   83  H   UNL     1       3.264   3.637   1.228  1.00  0.00           H  
HETATM   84  H   UNL     1       2.199   4.537  -0.823  1.00  0.00           H  
HETATM   85  H   UNL     1       1.755   6.018   0.058  1.00  0.00           H  
HETATM   86  H   UNL     1       4.153   6.479   0.491  1.00  0.00           H  
HETATM   87  H   UNL     1       4.597   4.997  -0.389  1.00  0.00           H  
HETATM   88  H   UNL     1       3.532   5.897  -2.440  1.00  0.00           H  
HETATM   89  H   UNL     1       3.088   7.379  -1.559  1.00  0.00           H  
HETATM   90  H   UNL     1       4.786   8.984  -0.893  1.00  0.00           H  
HETATM   91  H   UNL     1       7.008   9.933  -1.370  1.00  0.00           H  
HETATM   92  H   UNL     1       8.647   8.636  -2.671  1.00  0.00           H  
HETATM   93  H   UNL     1       8.065   6.390  -3.496  1.00  0.00           H  
HETATM   94  H   UNL     1       5.847   5.437  -3.011  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.865  -0.985   4.673  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.337   2.657   6.109  1.00  0.00           H  
HETATM   97  H   UNL     1       0.970  -0.918   1.660  1.00  0.00           H  
HETATM   98  HA  UNL     1       0.808  -3.386   0.108  1.00  0.00           H  
HETATM   99  H1  UNL     1       1.903  -2.458  -1.875  1.00  0.00           H  
HETATM  100  H2  UNL     1       0.398  -1.559  -1.566  1.00  0.00           H  
HETATM  101  H   UNL     1       2.248  -0.095  -1.942  1.00  0.00           H  
HETATM  102  H   UNL     1       3.338  -3.798  -0.723  1.00  0.00           H  
HETATM  103  H   UNL     1       4.871  -3.572   1.753  1.00  0.00           H  
HETATM  104  H   UNL     1       6.478  -5.040   0.633  1.00  0.00           H  
HETATM  105  H   UNL     1       3.599  -5.834   0.003  1.00  0.00           H  
HETATM  106  H   UNL     1       4.982  -6.949   0.118  1.00  0.00           H  
HETATM  107  H   UNL     1       4.424  -6.071   1.563  1.00  0.00           H  
HETATM  108  H   UNL     1       7.112  -7.130  -2.092  1.00  0.00           H  
HETATM  109  H   UNL     1       7.811  -4.751  -4.046  1.00  0.00           H  
HETATM  110  H   UNL     1       7.455  -3.058   1.186  1.00  0.00           H  
HETATM  111  H   UNL     1       7.658  -1.616   0.348  1.00  0.00           H  
CONECT    1    2    2    8   58                                       
CONECT    2    1    1    3   59                                       
CONECT    3    2    4    6    6                                       
CONECT    4    3    5   60   61                                       
CONECT    5    4   62                                                 
CONECT    6    3    3    7   63                                       
CONECT    7    6    8    8   64                                       
CONECT    8    1    7    7    9                                       
CONECT    9    8   11   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   65                                            
CONECT   12   11   13   66   67                                       
CONECT   13   12   14   68   69                                       
CONECT   14   13   15   15   17                                       
CONECT   15   14   14                                                 
CONECT   16   18   18   19   40                                       
CONECT   17   19   70   14                                            
CONECT   18   16   16                                                 
CONECT   19   16   17   20   71                                       
CONECT   20   19   21   72   73                                       
CONECT   21   20   37   37   36                                       
CONECT   22   36   23   74   75                                       
CONECT   23   22   24   76   77                                       
CONECT   24   23   25   78   79                                       
CONECT   25   24   26   80   81                                       
CONECT   26   25   27   82   83                                       
CONECT   27   26   28   84   85                                       
CONECT   28   27   29   86   87                                       
CONECT   29   28   30   88   89                                       
CONECT   30   29   35   35   31                                       
CONECT   31   30   32   32   90                                       
CONECT   32   31   31   33   91                                       
CONECT   33   32   34   34   92                                       
CONECT   34   33   33   35   93                                       
CONECT   35   30   30   34   94                                       
CONECT   36   21   22   38                                            
CONECT   37   21   21   39   95                                       
CONECT   38   36   39   39   96                                       
CONECT   39   37   38   38                                            
CONECT   40   41   97   16                                            
CONECT   41   40   42   44   98                                       
CONECT   42   41   43   43   46                                       
CONECT   43   42   42                                                 
CONECT   44   41   45   99  100                                       
CONECT   45   44  101                                                 
CONECT   46   47  102   42                                            
CONECT   47   46   48   55  103                                       
CONECT   48   47   49   50  104                                       
CONECT   49   48  105  106  107                                       
CONECT   50   48   51                                                 
CONECT   51   50   52   52   53                                       
CONECT   51   54                                                      
CONECT   52   51   51                                                 
CONECT   53   51  108                                                 
CONECT   54   51  109                                                 
CONECT   55   47   56   56   57                                       
CONECT   56   55   55                                                 
CONECT   57  110  111   55                                            
CONECT   58    1                                                      
CONECT   59    2                                                      
CONECT   60    4                                                      
CONECT   61    4                                                      
CONECT   62    5                                                      
CONECT   63    6                                                      
CONECT   64    7                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   13                                                      
CONECT   70   17                                                      
CONECT   71   19                                                      
CONECT   72   20                                                      
CONECT   73   20                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   24                                                      
CONECT   80   25                                                      
CONECT   81   25                                                      
CONECT   82   26                                                      
CONECT   83   26                                                      
CONECT   84   27                                                      
CONECT   85   27                                                      
CONECT   86   28                                                      
CONECT   87   28                                                      
CONECT   88   29                                                      
CONECT   89   29                                                      
CONECT   90   31                                                      
CONECT   91   32                                                      
CONECT   92   33                                                      
CONECT   93   34                                                      
CONECT   94   35                                                      
CONECT   95   37                                                      
CONECT   96   38                                                      
CONECT   97   40                                                      
CONECT   98   41                                                      
CONECT   99   44                                                      
CONECT  100   44                                                      
CONECT  101   45                                                      
CONECT  102   46                                                      
CONECT  103   47                                                      
CONECT  104   48                                                      
CONECT  105   49                                                      
CONECT  106   49                                                      
CONECT  107   49                                                      
CONECT  108   53                                                      
CONECT  109   54                                                      
CONECT  110   57                                                      
CONECT  111   57                                                      
MASTER        0    0    0    0    0    0    0    0  111    0  111    0
END
