COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      22.184  -0.624  -0.353  1.00  0.00           O  
HETATM    2  C   UNL     1      21.322  -1.651   0.142  1.00  0.00           C  
HETATM    3  C   UNL     1      20.440  -1.084   1.257  1.00  0.00           C  
HETATM    4  O   UNL     1      19.570  -0.088   0.716  1.00  0.00           O  
HETATM    5  C   UNL     1      18.700   0.508   1.680  1.00  0.00           C  
HETATM    6  C   UNL     1      17.819   1.554   0.993  1.00  0.00           C  
HETATM    7  O   UNL     1      16.957   0.907   0.054  1.00  0.00           O  
HETATM    8  C   UNL     1      16.087   1.799  -0.646  1.00  0.00           C  
HETATM    9  C   UNL     1      15.215   1.003  -1.619  1.00  0.00           C  
HETATM   10  O   UNL     1      14.352   0.133  -0.883  1.00  0.00           O  
HETATM   11  C   UNL     1      13.491  -0.660  -1.702  1.00  0.00           C  
HETATM   12  C   UNL     1      12.617  -1.547  -0.813  1.00  0.00           C  
HETATM   13  O   UNL     1      11.746  -0.727  -0.032  1.00  0.00           O  
HETATM   14  C   UNL     1      10.882  -1.462   0.839  1.00  0.00           C  
HETATM   15  C   UNL     1       9.999  -0.488   1.622  1.00  0.00           C  
HETATM   16  O   UNL     1       9.131   0.200   0.719  1.00  0.00           O  
HETATM   17  C   UNL     1       8.259   1.139   1.352  1.00  0.00           C  
HETATM   18  C   UNL     1       7.380   1.811   0.295  1.00  0.00           C  
HETATM   19  O   UNL     1       6.520   0.837  -0.299  1.00  0.00           O  
HETATM   20  C   UNL     1       5.652   1.364  -1.305  1.00  0.00           C  
HETATM   21  C   UNL     1       4.782   0.240  -1.868  1.00  0.00           C  
HETATM   22  O   UNL     1       3.917  -0.252  -0.842  1.00  0.00           O  
HETATM   23  C   UNL     1       3.056  -1.311  -1.266  1.00  0.00           C  
HETATM   24  C   UNL     1       2.180  -1.757  -0.094  1.00  0.00           C  
HETATM   25  O   UNL     1       1.308  -0.688   0.282  1.00  0.00           O  
HETATM   26  C   UNL     1       0.442  -1.002   1.374  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.442   0.207   1.688  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.308   0.465   0.581  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.180   1.581   0.772  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.056   1.762  -0.469  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.916   0.630  -0.614  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.781   0.699  -1.750  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.652  -0.558  -1.805  1.00  0.00           C  
HETATM   34  O   UNL     1      -6.520  -0.586  -0.669  1.00  0.00           O  
HETATM   35  C   UNL     1      -7.380  -1.726  -0.624  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.259  -1.652   0.626  1.00  0.00           C  
HETATM   37  O   UNL     1      -9.131  -0.523   0.529  1.00  0.00           O  
HETATM   38  C   UNL     1     -10.000  -0.362   1.652  1.00  0.00           C  
HETATM   39  C   UNL     1     -10.882   0.870   1.442  1.00  0.00           C  
HETATM   40  O   UNL     1     -11.746   0.651   0.324  1.00  0.00           O  
HETATM   41  C   UNL     1     -12.617   1.748   0.040  1.00  0.00           C  
HETATM   42  C   UNL     1     -13.491   1.405  -1.168  1.00  0.00           C  
HETATM   43  O   UNL     1     -14.352   0.313  -0.839  1.00  0.00           O  
HETATM   44  C   UNL     1     -15.215  -0.088  -1.905  1.00  0.00           C  
HETATM   45  C   UNL     1     -16.087  -1.257  -1.442  1.00  0.00           C  
HETATM   46  O   UNL     1     -16.957  -0.818  -0.397  1.00  0.00           O  
HETATM   47  C   UNL     1     -17.819  -1.840   0.109  1.00  0.00           C  
HETATM   48  C   UNL     1     -18.700  -1.260   1.217  1.00  0.00           C  
HETATM   49  O   UNL     1     -19.570  -0.270   0.665  1.00  0.00           O  
HETATM   50  C   UNL     1     -20.441   0.337   1.622  1.00  0.00           C  
HETATM   51  C   UNL     1     -21.322   1.375   0.924  1.00  0.00           C  
HETATM   52  O   UNL     1     -22.184   0.718  -0.008  1.00  0.00           O  
HETATM   53  H   UNL     1      22.772  -0.914  -1.063  1.00  0.00           H  
HETATM   54  H   UNL     1      20.691  -2.018  -0.668  1.00  0.00           H  
HETATM   55  H   UNL     1      21.922  -2.472   0.535  1.00  0.00           H  
HETATM   56  H   UNL     1      19.847  -1.887   1.694  1.00  0.00           H  
HETATM   57  H   UNL     1      21.070  -0.638   2.026  1.00  0.00           H  
HETATM   58  H   UNL     1      18.070  -0.261   2.126  1.00  0.00           H  
HETATM   59  H   UNL     1      19.293   0.988   2.458  1.00  0.00           H  
HETATM   60  H   UNL     1      17.218   2.071   1.741  1.00  0.00           H  
HETATM   61  H   UNL     1      18.449   2.274   0.472  1.00  0.00           H  
HETATM   62  H   UNL     1      15.450   2.322   0.068  1.00  0.00           H  
HETATM   63  H   UNL     1      16.681   2.525  -1.202  1.00  0.00           H  
HETATM   64  H   UNL     1      14.616   1.690  -2.216  1.00  0.00           H  
HETATM   65  H   UNL     1      15.852   0.411  -2.277  1.00  0.00           H  
HETATM   66  H   UNL     1      12.856  -0.007  -2.300  1.00  0.00           H  
HETATM   67  H   UNL     1      14.092  -1.286  -2.361  1.00  0.00           H  
HETATM   68  H   UNL     1      12.024  -2.216  -1.437  1.00  0.00           H  
HETATM   69  H   UNL     1      13.252  -2.136  -0.151  1.00  0.00           H  
HETATM   70  H   UNL     1      10.253  -2.128   0.248  1.00  0.00           H  
HETATM   71  H   UNL     1      11.481  -2.049   1.534  1.00  0.00           H  
HETATM   72  H   UNL     1       9.404  -1.041   2.348  1.00  0.00           H  
HETATM   73  H   UNL     1      10.628   0.235   2.142  1.00  0.00           H  
HETATM   74  H   UNL     1       7.628   0.619   2.072  1.00  0.00           H  
HETATM   75  H   UNL     1       8.852   1.895   1.866  1.00  0.00           H  
HETATM   76  H   UNL     1       6.779   2.589   0.765  1.00  0.00           H  
HETATM   77  H   UNL     1       8.012   2.255  -0.474  1.00  0.00           H  
HETATM   78  H   UNL     1       5.015   2.133  -0.868  1.00  0.00           H  
HETATM   79  H   UNL     1       6.248   1.799  -2.107  1.00  0.00           H  
HETATM   80  H   UNL     1       4.184   0.622  -2.695  1.00  0.00           H  
HETATM   81  H   UNL     1       5.419  -0.570  -2.224  1.00  0.00           H  
HETATM   82  H   UNL     1       2.422  -0.961  -2.081  1.00  0.00           H  
HETATM   83  H   UNL     1       3.658  -2.153  -1.610  1.00  0.00           H  
HETATM   84  H   UNL     1       1.587  -2.622  -0.391  1.00  0.00           H  
HETATM   85  H   UNL     1       2.813  -2.023   0.752  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.187  -1.852   1.107  1.00  0.00           H  
HETATM   87  H   UNL     1       1.039  -1.253   2.251  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.039   0.000   2.576  1.00  0.00           H  
HETATM   89  H   UNL     1       0.187   1.079   1.868  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.813   1.402   1.641  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.587   2.481   0.933  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.658   2.664  -0.361  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.422   1.852  -1.352  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.419   1.580  -1.668  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.183   0.767  -2.658  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.248  -0.547  -2.717  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.015  -1.442  -1.797  1.00  0.00           H  
HETATM   98  H   UNL     1      -8.012  -1.740  -1.512  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.779  -2.634  -0.592  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.852  -2.563   0.708  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.628  -1.548   1.508  1.00  0.00           H  
HETATM  102  H   UNL     1     -10.628  -1.246   1.755  1.00  0.00           H  
HETATM  103  H   UNL     1      -9.404  -0.232   2.556  1.00  0.00           H  
HETATM  104  H   UNL     1     -11.481   1.045   2.335  1.00  0.00           H  
HETATM  105  H   UNL     1     -10.253   1.739   1.250  1.00  0.00           H  
HETATM  106  H   UNL     1     -13.252   1.941   0.904  1.00  0.00           H  
HETATM  107  H   UNL     1     -12.024   2.635  -0.181  1.00  0.00           H  
HETATM  108  H   UNL     1     -14.092   2.273  -1.440  1.00  0.00           H  
HETATM  109  H   UNL     1     -12.855   1.126  -2.009  1.00  0.00           H  
HETATM  110  H   UNL     1     -15.852   0.748  -2.192  1.00  0.00           H  
HETATM  111  H   UNL     1     -14.615  -0.399  -2.761  1.00  0.00           H  
HETATM  112  H   UNL     1     -16.681  -1.621  -2.281  1.00  0.00           H  
HETATM  113  H   UNL     1     -15.450  -2.061  -1.072  1.00  0.00           H  
HETATM  114  H   UNL     1     -18.449  -2.216  -0.697  1.00  0.00           H  
HETATM  115  H   UNL     1     -17.218  -2.655   0.512  1.00  0.00           H  
HETATM  116  H   UNL     1     -19.294  -2.058   1.664  1.00  0.00           H  
HETATM  117  H   UNL     1     -18.070  -0.804   1.982  1.00  0.00           H  
HETATM  118  H   UNL     1     -21.071  -0.427   2.077  1.00  0.00           H  
HETATM  119  H   UNL     1     -19.847   0.826   2.395  1.00  0.00           H  
HETATM  120  H   UNL     1     -21.922   1.900   1.666  1.00  0.00           H  
HETATM  121  H   UNL     1     -20.691   2.089   0.394  1.00  0.00           H  
HETATM  122  H   UNL     1     -22.772   1.316  -0.489  1.00  0.00           H  
CONECT    1    2   53                                                 
CONECT    2    1    3   54   55                                       
CONECT    3    2    4   56   57                                       
CONECT    4    3    5                                                 
CONECT    5    4    6   58   59                                       
CONECT    6    5    7   60   61                                       
CONECT    7    6    8                                                 
CONECT    8    7    9   62   63                                       
CONECT    9    8   10   64   65                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   66   67                                       
CONECT   12   11   13   68   69                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   70   71                                       
CONECT   15   14   16   72   73                                       
CONECT   16   15   17                                                 
CONECT   17   16   18   74   75                                       
CONECT   18   17   19   76   77                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   78   79                                       
CONECT   21   20   22   80   81                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   82   83                                       
CONECT   24   23   25   84   85                                       
CONECT   25   24   26                                                 
CONECT   26   25   27   86   87                                       
CONECT   27   26   28   88   89                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   90   91                                       
CONECT   30   29   31   92   93                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   94   95                                       
CONECT   33   32   34   96   97                                       
CONECT   34   33   35                                                 
CONECT   35   34   36   98   99                                       
CONECT   36   35   37  100  101                                       
CONECT   37   36   38                                                 
CONECT   38   37   39  102  103                                       
CONECT   39   38   40  104  105                                       
CONECT   40   39   41                                                 
CONECT   41   40   42  106  107                                       
CONECT   42   41   43  108  109                                       
CONECT   43   42   44                                                 
CONECT   44   43   45  110  111                                       
CONECT   45   44   46  112  113                                       
CONECT   46   45   47                                                 
CONECT   47   46   48  114  115                                       
CONECT   48   47   49  116  117                                       
CONECT   49   48   50                                                 
CONECT   50   49   51  118  119                                       
CONECT   51   50   52  120  121                                       
CONECT   52   51  122                                                 
CONECT   53    1                                                      
CONECT   54    2                                                      
CONECT   55    2                                                      
CONECT   56    3                                                      
CONECT   57    3                                                      
CONECT   58    5                                                      
CONECT   59    5                                                      
CONECT   60    6                                                      
CONECT   61    6                                                      
CONECT   62    8                                                      
CONECT   63    8                                                      
CONECT   64    9                                                      
CONECT   65    9                                                      
CONECT   66   11                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   12                                                      
CONECT   70   14                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   15                                                      
CONECT   74   17                                                      
CONECT   75   17                                                      
CONECT   76   18                                                      
CONECT   77   18                                                      
CONECT   78   20                                                      
CONECT   79   20                                                      
CONECT   80   21                                                      
CONECT   81   21                                                      
CONECT   82   23                                                      
CONECT   83   23                                                      
CONECT   84   24                                                      
CONECT   85   24                                                      
CONECT   86   26                                                      
CONECT   87   26                                                      
CONECT   88   27                                                      
CONECT   89   27                                                      
CONECT   90   29                                                      
CONECT   91   29                                                      
CONECT   92   30                                                      
CONECT   93   30                                                      
CONECT   94   32                                                      
CONECT   95   32                                                      
CONECT   96   33                                                      
CONECT   97   33                                                      
CONECT   98   35                                                      
CONECT   99   35                                                      
CONECT  100   36                                                      
CONECT  101   36                                                      
CONECT  102   38                                                      
CONECT  103   38                                                      
CONECT  104   39                                                      
CONECT  105   39                                                      
CONECT  106   41                                                      
CONECT  107   41                                                      
CONECT  108   42                                                      
CONECT  109   42                                                      
CONECT  110   44                                                      
CONECT  111   44                                                      
CONECT  112   45                                                      
CONECT  113   45                                                      
CONECT  114   47                                                      
CONECT  115   47                                                      
CONECT  116   48                                                      
CONECT  117   48                                                      
CONECT  118   50                                                      
CONECT  119   50                                                      
CONECT  120   51                                                      
CONECT  121   51                                                      
CONECT  122   52                                                      
MASTER        0    0    0    0    0    0    0    0  122    0  122    0
END
