COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -11.192   0.115  -0.641  1.00  0.00           C  
HETATM    2  C   UNL     1     -12.252   0.967   0.062  1.00  0.00           C  
HETATM    3  C   UNL     1     -13.594   0.805  -0.654  1.00  0.00           C  
HETATM    4  C   UNL     1     -11.829   2.437   0.028  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.902   0.177   0.135  1.00  0.00           C  
HETATM    6  O   UNL     1      -9.834   0.842   1.147  1.00  0.00           O  
HETATM    7  N   UNL     1      -8.821  -0.501  -0.299  1.00  0.00           N  
HETATM    8  C   UNL     1      -7.565  -0.435   0.451  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.411  -0.718  -0.475  1.00  0.00           C  
HETATM   10  O   UNL     1      -6.587  -1.372  -1.482  1.00  0.00           O  
HETATM   11  C   UNL     1      -7.586  -1.477   1.572  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.640  -2.880   0.964  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.320  -1.338   2.421  1.00  0.00           C  
HETATM   14  N   UNL     1      -5.183  -0.244  -0.186  1.00  0.00           N  
HETATM   15  C   UNL     1      -4.044  -0.590  -1.040  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.769  -0.494  -0.241  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.692   0.283   0.686  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.979   0.379  -2.222  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.836  -0.028  -3.154  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.302   0.336  -2.990  1.00  0.00           C  
HETATM   21  C   UNL     1       4.432  -0.255   0.138  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.715  -1.272  -0.558  1.00  0.00           N  
HETATM   23  O   UNL     1       4.340  -1.411   0.493  1.00  0.00           O  
HETATM   24  P   UNL     1       0.804  -0.323  -0.554  1.00  0.00           P  
HETATM   25  C   UNL     1       0.073   4.444   0.843  1.00  0.00           C  
HETATM   26  O   UNL     1       0.294   1.012  -0.940  1.00  0.00           O  
HETATM   27  O   UNL     1       1.273  -1.120  -1.872  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.516  -1.260   0.284  1.00  0.00           C  
HETATM   29  C   UNL     1       3.210   0.626   0.117  1.00  0.00           C  
HETATM   30  O   UNL     1       2.056  -0.152   0.443  1.00  0.00           O  
HETATM   31  C   UNL     1      -0.048  -2.696   0.527  1.00  0.00           C  
HETATM   32  C   UNL     1       3.374   1.750   1.143  1.00  0.00           C  
HETATM   33  C   UNL     1       0.005   3.360   1.698  1.00  0.00           C  
HETATM   34  C   UNL     1       1.135  -2.689   1.497  1.00  0.00           C  
HETATM   35  C   UNL     1       2.210   2.700   1.037  1.00  0.00           C  
HETATM   36  C   UNL     1       1.073   2.488   1.795  1.00  0.00           C  
HETATM   37  C   UNL     1       1.721  -4.099   1.596  1.00  0.00           C  
HETATM   38  C   UNL     1       0.659  -2.236   2.878  1.00  0.00           C  
HETATM   39  C   UNL     1       2.276   3.781   0.178  1.00  0.00           C  
HETATM   40  C   UNL     1       1.208   4.653   0.081  1.00  0.00           C  
HETATM   41  N   UNL     1       5.628   0.241  -0.238  1.00  0.00           N  
HETATM   42  C   UNL     1       6.816  -0.616  -0.218  1.00  0.00           C  
HETATM   43  C   UNL     1       8.048   0.238  -0.069  1.00  0.00           C  
HETATM   44  O   UNL     1       7.945   1.444   0.012  1.00  0.00           O  
HETATM   45  C   UNL     1       6.897  -1.406  -1.526  1.00  0.00           C  
HETATM   46  N   UNL     1       9.266  -0.338  -0.027  1.00  0.00           N  
HETATM   47  C   UNL     1      10.465   0.492   0.117  1.00  0.00           C  
HETATM   48  C   UNL     1      11.652  -0.236  -0.457  1.00  0.00           C  
HETATM   49  O   UNL     1      11.512  -1.336  -0.937  1.00  0.00           O  
HETATM   50  C   UNL     1      10.710   0.780   1.600  1.00  0.00           C  
HETATM   51  O   UNL     1      12.866   0.336  -0.434  1.00  0.00           O  
HETATM   52  C   UNL     1      13.964  -0.423  -1.005  1.00  0.00           C  
HETATM   53  H   UNL     1     -11.029   0.497  -1.649  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.534  -0.918  -0.695  1.00  0.00           H  
HETATM   55  H   UNL     1     -12.351   0.641   1.098  1.00  0.00           H  
HETATM   56  H   UNL     1     -13.895  -0.242  -0.630  1.00  0.00           H  
HETATM   57  H   UNL     1     -14.348   1.412  -0.153  1.00  0.00           H  
HETATM   58  H   UNL     1     -13.495   1.130  -1.690  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.873   2.552   0.538  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.730   2.762  -1.008  1.00  0.00           H  
HETATM   61  H   UNL     1     -12.584   3.043   0.529  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.875  -1.032  -1.109  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.450   0.559   0.882  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.463  -1.318   2.199  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.763  -3.038   0.337  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.655  -3.622   1.762  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.542  -2.979   0.359  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.443  -1.476   1.790  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.292  -0.346   2.871  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.326  -2.093   3.207  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.053   0.327   0.587  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.164  -1.608  -1.411  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.805   1.390  -1.854  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.035  -1.019  -3.562  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.757   0.691  -3.968  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.901  -0.048  -2.594  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.116   0.627  -2.326  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.256   1.027  -3.832  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.476  -0.675  -3.358  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.751  -1.841  -1.343  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.761   5.126   0.768  1.00  0.00           H  
HETATM   82  H   UNL     1       1.620  -2.005  -1.694  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.748  -0.786   1.238  1.00  0.00           H  
HETATM   84  H   UNL     1       3.089   1.056  -0.877  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.865  -3.277   0.954  1.00  0.00           H  
HETATM   86  H   UNL     1       0.259  -3.142  -0.419  1.00  0.00           H  
HETATM   87  H   UNL     1       3.406   1.324   2.146  1.00  0.00           H  
HETATM   88  H   UNL     1       4.302   2.288   0.947  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.882   3.195   2.291  1.00  0.00           H  
HETATM   90  H   UNL     1       1.900  -2.003   1.133  1.00  0.00           H  
HETATM   91  H   UNL     1       1.020   1.641   2.463  1.00  0.00           H  
HETATM   92  H   UNL     1       2.060  -4.422   0.611  1.00  0.00           H  
HETATM   93  H   UNL     1       2.564  -4.095   2.287  1.00  0.00           H  
HETATM   94  H   UNL     1       0.956  -4.786   1.960  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.105  -2.923   3.242  1.00  0.00           H  
HETATM   96  H   UNL     1       1.502  -2.232   3.569  1.00  0.00           H  
HETATM   97  H   UNL     1       0.242  -1.232   2.808  1.00  0.00           H  
HETATM   98  H   UNL     1       3.162   3.944  -0.417  1.00  0.00           H  
HETATM   99  H   UNL     1       1.259   5.497  -0.590  1.00  0.00           H  
HETATM  100  H   UNL     1       5.701   1.165  -0.522  1.00  0.00           H  
HETATM  101  H   UNL     1       6.750  -1.308   0.621  1.00  0.00           H  
HETATM  102  H   UNL     1       7.781  -2.043  -1.511  1.00  0.00           H  
HETATM  103  H   UNL     1       6.005  -2.024  -1.633  1.00  0.00           H  
HETATM  104  H   UNL     1       6.962  -0.714  -2.365  1.00  0.00           H  
HETATM  105  H   UNL     1       9.349  -1.302  -0.092  1.00  0.00           H  
HETATM  106  H   UNL     1      10.322   1.432  -0.416  1.00  0.00           H  
HETATM  107  H   UNL     1      10.853  -0.160   2.134  1.00  0.00           H  
HETATM  108  H   UNL     1      11.602   1.397   1.707  1.00  0.00           H  
HETATM  109  H   UNL     1       9.851   1.306   2.015  1.00  0.00           H  
HETATM  110  H   UNL     1      14.886   0.153  -0.923  1.00  0.00           H  
HETATM  111  H   UNL     1      14.074  -1.364  -0.465  1.00  0.00           H  
HETATM  112  H   UNL     1      13.757  -0.629  -2.055  1.00  0.00           H  
CONECT    1    5    2   53   54                                       
CONECT    2    1    3    4   55                                       
CONECT    3    2   56   57   58                                       
CONECT    4    2   59   60   61                                       
CONECT    5    1    7    6    6                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   62                                            
CONECT    8    7    9   11   63                                       
CONECT    9    8   10   10   14                                       
CONECT   10    9    9                                                 
CONECT   11    8   12   13   64                                       
CONECT   12   11   65   66   67                                       
CONECT   13   11   68   69   70                                       
CONECT   14    9   15   71                                            
CONECT   15   16   14   18   72                                       
CONECT   16   15   22   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   15   19   20   73                                       
CONECT   19   18   74   75   76                                       
CONECT   20   18   77   78   79                                       
CONECT   21   23   23   29   41                                       
CONECT   22   16   28   80                                            
CONECT   23   21   21                                                 
CONECT   24   28   26   26   30                                       
CONECT   24   27                                                      
CONECT   25   33   33   40   81                                       
CONECT   26   24   24                                                 
CONECT   27   24   82                                                 
CONECT   28   22   24   31   83                                       
CONECT   29   21   30   32   84                                       
CONECT   30   24   29                                                 
CONECT   31   28   34   85   86                                       
CONECT   32   29   35   87   88                                       
CONECT   33   25   25   36   89                                       
CONECT   34   31   37   38   90                                       
CONECT   35   32   36   36   39                                       
CONECT   36   33   35   35   91                                       
CONECT   37   34   92   93   94                                       
CONECT   38   34   95   96   97                                       
CONECT   39   35   40   40   98                                       
CONECT   40   25   39   39   99                                       
CONECT   41   21   42  100                                            
CONECT   42   43   41   45  101                                       
CONECT   43   42   46   44   44                                       
CONECT   44   43   43                                                 
CONECT   45   42  102  103  104                                       
CONECT   46   43   47  105                                            
CONECT   47   48   46   50  106                                       
CONECT   48   47   49   49   51                                       
CONECT   49   48   48                                                 
CONECT   50   47  107  108  109                                       
CONECT   51   48   52                                                 
CONECT   52   51  110  111  112                                       
CONECT   53    1                                                      
CONECT   54    1                                                      
CONECT   55    2                                                      
CONECT   56    3                                                      
CONECT   57    3                                                      
CONECT   58    3                                                      
CONECT   59    4                                                      
CONECT   60    4                                                      
CONECT   61    4                                                      
CONECT   62    7                                                      
CONECT   63    8                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   12                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   13                                                      
CONECT   70   13                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   18                                                      
CONECT   74   19                                                      
CONECT   75   19                                                      
CONECT   76   19                                                      
CONECT   77   20                                                      
CONECT   78   20                                                      
CONECT   79   20                                                      
CONECT   80   22                                                      
CONECT   81   25                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   29                                                      
CONECT   85   31                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   32                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   36                                                      
CONECT   92   37                                                      
CONECT   93   37                                                      
CONECT   94   37                                                      
CONECT   95   38                                                      
CONECT   96   38                                                      
CONECT   97   38                                                      
CONECT   98   39                                                      
CONECT   99   40                                                      
CONECT  100   41                                                      
CONECT  101   42                                                      
CONECT  102   45                                                      
CONECT  103   45                                                      
CONECT  104   45                                                      
CONECT  105   46                                                      
CONECT  106   47                                                      
CONECT  107   50                                                      
CONECT  108   50                                                      
CONECT  109   50                                                      
CONECT  110   52                                                      
CONECT  111   52                                                      
CONECT  112   52                                                      
MASTER        0    0    0    0    0    0    0    0  112    0  112    0
END
