COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.828   2.629   0.497  1.00  0.00           C  
HETATM    2  O   UNL     1       5.758   3.437   0.938  1.00  0.00           O  
HETATM    3  C   UNL     1       6.878   1.281   1.257  1.00  0.00           C  
HETATM    4  O   UNL     1       5.529   0.785   1.324  1.00  0.00           O  
HETATM    5  C   UNL     1       7.641   0.370   0.255  1.00  0.00           C  
HETATM    6  O   UNL     1       7.575   1.022  -1.028  1.00  0.00           O  
HETATM    7  C   UNL     1       6.737  -0.888   0.170  1.00  0.00           C  
HETATM    8  C   UNL     1       5.343  -0.240   0.341  1.00  0.00           C  
HETATM    9  C   UNL     1       4.300  -1.259   0.800  1.00  0.00           C  
HETATM   10  C   UNL     1       4.596  -2.629   0.189  1.00  0.00           C  
HETATM   11  C   UNL     1       3.328  -3.197  -0.449  1.00  0.00           C  
HETATM   12  C   UNL     1       3.633  -4.510  -1.190  1.00  0.00           C  
HETATM   13  C   UNL     1       2.488  -5.435  -0.819  1.00  0.00           C  
HETATM   14  C   UNL     1       1.645  -4.680   0.182  1.00  0.00           C  
HETATM   15  C   UNL     1       0.292  -4.302  -0.424  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.737  -4.089   0.691  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.112  -3.809   0.083  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.221  -4.359   0.975  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.607  -4.040   0.417  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.672  -2.582   0.009  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.491  -2.040  -0.763  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.606  -0.573  -1.081  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.720   0.328   0.145  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.021   1.663  -0.158  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.082   2.742   0.092  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.336   1.995   0.563  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.535   2.403  -0.295  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.802   1.740   0.251  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.018   2.244  -0.528  1.00  0.00           C  
HETATM   30  C   UNL     1       2.273  -6.644  -1.275  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.664  -4.317   1.488  1.00  0.00           C  
HETATM   32  C   UNL     1       2.009   3.286   1.066  1.00  0.00           C  
HETATM   33  C   UNL     1       1.765   2.801  -0.355  1.00  0.00           C  
HETATM   34  C   UNL     1       3.386   3.928   1.227  1.00  0.00           C  
HETATM   35  C   UNL     1       0.565   1.842  -0.356  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.709   2.557  -0.018  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.806   1.861   0.749  1.00  0.00           C  
HETATM   38  O   UNL     1      -0.858   3.704  -0.364  1.00  0.00           O  
HETATM   39  O   UNL     1      -5.090   0.601   0.417  1.00  0.00           O  
HETATM   40  C   UNL     1      -5.700  -1.828   0.312  1.00  0.00           C  
HETATM   41  N   UNL     1     -10.244   1.701   0.072  1.00  0.00           N  
HETATM   42  O   UNL     1      -4.356   3.454  -1.116  1.00  0.00           O  
HETATM   43  O   UNL     1      -7.697   0.322   0.106  1.00  0.00           O  
HETATM   44  O   UNL     1      -2.285  -2.389  -0.069  1.00  0.00           O  
HETATM   45  O   UNL     1       2.358  -3.499   0.561  1.00  0.00           O  
HETATM   46  C   UNL     1       4.447   2.910   0.786  1.00  0.00           C  
HETATM   47  C   UNL     1       4.183   2.614  -0.696  1.00  0.00           C  
HETATM   48  O   UNL     1       2.883   2.055  -0.827  1.00  0.00           O  
HETATM   49  C   UNL     1       5.243   1.656  -1.214  1.00  0.00           C  
HETATM   50  O   UNL     1       4.969   0.316  -0.915  1.00  0.00           O  
HETATM   51  C   UNL     1       6.654   2.128  -0.947  1.00  0.00           C  
HETATM   52  C   UNL     1      -4.157   4.866  -1.016  1.00  0.00           C  
HETATM   53  H   UNL     1       7.776   3.157   0.601  1.00  0.00           H  
HETATM   54  H   UNL     1       7.355   1.341   2.234  1.00  0.00           H  
HETATM   55  H   UNL     1       8.660   0.139   0.563  1.00  0.00           H  
HETATM   56  H   UNL     1       6.830  -1.377  -0.800  1.00  0.00           H  
HETATM   57  H   UNL     1       6.951  -1.584   0.982  1.00  0.00           H  
HETATM   58  H   UNL     1       4.325  -1.335   1.887  1.00  0.00           H  
HETATM   59  H   UNL     1       3.311  -0.930   0.483  1.00  0.00           H  
HETATM   60  H   UNL     1       5.370  -2.528  -0.572  1.00  0.00           H  
HETATM   61  H   UNL     1       4.942  -3.307   0.969  1.00  0.00           H  
HETATM   62  H   UNL     1       2.909  -2.473  -1.148  1.00  0.00           H  
HETATM   63  H   UNL     1       3.652  -4.342  -2.267  1.00  0.00           H  
HETATM   64  H   UNL     1       4.582  -4.925  -0.852  1.00  0.00           H  
HETATM   65  H   UNL     1       1.482  -5.299   1.067  1.00  0.00           H  
HETATM   66  H   UNL     1       0.398  -3.382  -0.999  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.046  -5.102  -1.082  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.790  -4.985   1.310  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.434  -3.243   1.307  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.164  -4.295  -0.894  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.110  -5.440   1.055  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.128  -3.919   1.969  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.800  -4.668  -0.453  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.467  -2.586  -1.728  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.727  -0.272  -1.652  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.489  -0.421  -1.702  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.242  -0.153   0.998  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.706   1.680  -1.206  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.743   3.431   0.866  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.534   2.228   1.609  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.651   3.486  -0.266  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.372   2.082  -1.324  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.917   1.989   1.306  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.047   3.333  -0.491  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.946   1.918  -1.566  1.00  0.00           H  
HETATM   86  H   UNL     1       2.953  -7.078  -1.994  1.00  0.00           H  
HETATM   87  H   UNL     1       1.417  -7.207  -0.933  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.470  -3.692   2.359  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.653  -4.090   1.090  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.621  -5.367   1.778  1.00  0.00           H  
HETATM   91  H   UNL     1       1.244   4.019   1.325  1.00  0.00           H  
HETATM   92  H   UNL     1       1.932   2.439   1.747  1.00  0.00           H  
HETATM   93  H   UNL     1       1.563   3.644  -1.011  1.00  0.00           H  
HETATM   94  H   UNL     1       3.451   4.819   0.604  1.00  0.00           H  
HETATM   95  H   UNL     1       3.546   4.195   2.272  1.00  0.00           H  
HETATM   96  H   UNL     1       0.469   1.392  -1.345  1.00  0.00           H  
HETATM   97  H   UNL     1       0.737   1.054   0.377  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.090   2.469   1.608  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.448   0.891   1.094  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.443  -2.183   1.011  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.805  -0.852  -0.138  1.00  0.00           H  
HETATM  102  H   UNL     1     -10.302   1.936   1.051  1.00  0.00           H  
HETATM  103  H   UNL     1     -11.062   2.020  -0.425  1.00  0.00           H  
HETATM  104  H   UNL     1      -7.593   0.027  -0.809  1.00  0.00           H  
HETATM  105  H   UNL     1       4.337   1.997   1.370  1.00  0.00           H  
HETATM  106  H   UNL     1       4.233   3.545  -1.264  1.00  0.00           H  
HETATM  107  H   UNL     1       5.135   1.709  -2.301  1.00  0.00           H  
HETATM  108  H   UNL     1       6.930   2.903  -1.660  1.00  0.00           H  
HETATM  109  H   UNL     1      -3.136   5.067  -0.692  1.00  0.00           H  
HETATM  110  H   UNL     1      -4.326   5.326  -1.990  1.00  0.00           H  
HETATM  111  H   UNL     1      -4.857   5.281  -0.291  1.00  0.00           H  
CONECT    1    2    3   51   53                                       
CONECT    2   46    1                                                 
CONECT    3    4    1    5   54                                       
CONECT    4    3    8                                                 
CONECT    5    3    7    6   55                                       
CONECT    6    5   51                                                 
CONECT    7    8    5   56   57                                       
CONECT    8    4    9    7   50                                       
CONECT    9   10    8   58   59                                       
CONECT   10   11    9   60   61                                       
CONECT   11   12   10   45   62                                       
CONECT   12   11   13   63   64                                       
CONECT   13   12   30   30   14                                       
CONECT   14   13   45   15   65                                       
CONECT   15   14   16   66   67                                       
CONECT   16   15   17   68   69                                       
CONECT   17   16   44   18   70                                       
CONECT   18   17   19   71   72                                       
CONECT   19   18   20   31   73                                       
CONECT   20   21   19   40   40                                       
CONECT   21   44   22   20   74                                       
CONECT   22   23   21   75   76                                       
CONECT   23   24   39   22   77                                       
CONECT   24   37   23   25   78                                       
CONECT   25   26   24   42   79                                       
CONECT   26   39   27   25   80                                       
CONECT   27   26   28   81   82                                       
CONECT   28   43   29   27   83                                       
CONECT   29   28   41   84   85                                       
CONECT   30   13   13   86   87                                       
CONECT   31   19   88   89   90                                       
CONECT   32   34   33   91   92                                       
CONECT   33   32   35   48   93                                       
CONECT   34   32   46   94   95                                       
CONECT   35   33   36   96   97                                       
CONECT   36   35   37   38   38                                       
CONECT   37   36   24   98   99                                       
CONECT   38   36   36                                                 
CONECT   39   26   23                                                 
CONECT   40   20   20  100  101                                       
CONECT   41   29  102  103                                            
CONECT   42   25   52                                                 
CONECT   43   28  104                                                 
CONECT   44   17   21                                                 
CONECT   45   11   14                                                 
CONECT   46   34    2   47  105                                       
CONECT   47   46   48   49  106                                       
CONECT   48   33   47                                                 
CONECT   49   47   50   51  107                                       
CONECT   50    8   49                                                 
CONECT   51    1   49    6  108                                       
CONECT   52   42  109  110  111                                       
CONECT   53    1                                                      
CONECT   54    3                                                      
CONECT   55    5                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   18                                                      
CONECT   73   19                                                      
CONECT   74   21                                                      
CONECT   75   22                                                      
CONECT   76   22                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   29                                                      
CONECT   85   29                                                      
CONECT   86   30                                                      
CONECT   87   30                                                      
CONECT   88   31                                                      
CONECT   89   31                                                      
CONECT   90   31                                                      
CONECT   91   32                                                      
CONECT   92   32                                                      
CONECT   93   33                                                      
CONECT   94   34                                                      
CONECT   95   34                                                      
CONECT   96   35                                                      
CONECT   97   35                                                      
CONECT   98   37                                                      
CONECT   99   37                                                      
CONECT  100   40                                                      
CONECT  101   40                                                      
CONECT  102   41                                                      
CONECT  103   41                                                      
CONECT  104   43                                                      
CONECT  105   46                                                      
CONECT  106   47                                                      
CONECT  107   49                                                      
CONECT  108   51                                                      
CONECT  109   52                                                      
CONECT  110   52                                                      
CONECT  111   52                                                      
MASTER        0    0    0    0    0    0    0    0  111    0  111    0
END
