COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.636  -2.332  -1.681  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.745  -2.914   1.187  1.00  0.00           C  
HETATM    3  C   UNL     1       8.448  -0.590  -0.578  1.00  0.00           C  
HETATM    4  C   UNL     1       9.430   0.285   0.204  1.00  0.00           C  
HETATM    5  C   UNL     1      10.861  -0.050  -0.220  1.00  0.00           C  
HETATM    6  C   UNL     1      11.843   0.826   0.562  1.00  0.00           C  
HETATM    7  C   UNL     1      14.095   2.819   0.527  1.00  0.00           C  
HETATM    8  C   UNL     1      16.099   2.184  -0.388  1.00  0.00           C  
HETATM    9  C   UNL     1      17.578   2.536  -0.215  1.00  0.00           C  
HETATM   10  C   UNL     1       2.191  -1.337  -0.871  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.885  -3.381   0.011  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.634  -3.290  -2.367  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.734  -3.452  -1.282  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.860  -2.654   2.432  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.736  -1.635   3.209  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.544   0.149   1.242  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.960   0.567   1.645  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.647   1.247   0.459  1.00  0.00           C  
HETATM   19  C   UNL     1     -11.063   1.665   0.861  1.00  0.00           C  
HETATM   20  C   UNL     1     -11.750   2.345  -0.325  1.00  0.00           C  
HETATM   21  C   UNL     1     -13.166   2.763   0.077  1.00  0.00           C  
HETATM   22  C   UNL     1     -13.853   3.444  -1.108  1.00  0.00           C  
HETATM   23  C   UNL     1     -15.269   3.861  -0.706  1.00  0.00           C  
HETATM   24  C   UNL     1     -15.956   4.542  -1.892  1.00  0.00           C  
HETATM   25  C   UNL     1     -17.372   4.959  -1.490  1.00  0.00           C  
HETATM   26  C   UNL     1      15.711   1.012   0.542  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.402  -0.837   2.068  1.00  0.00           C  
HETATM   28  C   UNL     1      14.255   1.366   0.921  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.857  -0.531   2.428  1.00  0.00           C  
HETATM   30  C   UNL     1      13.274   0.491   0.139  1.00  0.00           C  
HETATM   31  C   UNL     1       4.604  -0.796  -0.513  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.222  -1.877  -1.230  1.00  0.00           C  
HETATM   33  C   UNL     1       7.017  -0.255  -0.154  1.00  0.00           C  
HETATM   34  C   UNL     1       6.036  -1.131  -0.937  1.00  0.00           C  
HETATM   35  C   UNL     1       3.623  -1.671  -1.295  1.00  0.00           C  
HETATM   36  C   UNL     1       1.210  -2.212  -1.653  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.203  -2.752  -2.012  1.00  0.00           C  
HETATM   38  O   UNL     1      -2.856  -2.418  -0.268  1.00  0.00           O  
HETATM   39  O   UNL     1      15.255   3.290   0.049  1.00  0.00           O  
HETATM   40  O   UNL     1      13.073   3.456   0.624  1.00  0.00           O  
HETATM   41  O   UNL     1      -5.352  -1.646   0.887  1.00  0.00           O  
HETATM   42  O   UNL     1      -7.537  -1.749   2.738  1.00  0.00           O  
HETATM   43  O   UNL     1      -1.012  -4.122  -1.650  1.00  0.00           O  
HETATM   44  H   UNL     1      -2.810  -1.312  -2.020  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.510  -3.656   1.413  1.00  0.00           H  
HETATM   46  H   UNL     1       8.565  -0.402  -1.645  1.00  0.00           H  
HETATM   47  H   UNL     1       8.653  -1.640  -0.370  1.00  0.00           H  
HETATM   48  H   UNL     1       9.225   1.335  -0.004  1.00  0.00           H  
HETATM   49  H   UNL     1       9.313   0.097   1.271  1.00  0.00           H  
HETATM   50  H   UNL     1      11.066  -1.100  -0.011  1.00  0.00           H  
HETATM   51  H   UNL     1      10.978   0.138  -1.287  1.00  0.00           H  
HETATM   52  H   UNL     1      11.638   1.876   0.354  1.00  0.00           H  
HETATM   53  H   UNL     1      11.726   0.638   1.630  1.00  0.00           H  
HETATM   54  H   UNL     1      15.888   1.931  -1.427  1.00  0.00           H  
HETATM   55  H   UNL     1      18.191   1.678  -0.493  1.00  0.00           H  
HETATM   56  H   UNL     1      17.827   3.383  -0.855  1.00  0.00           H  
HETATM   57  H   UNL     1      17.770   2.798   0.825  1.00  0.00           H  
HETATM   58  H   UNL     1       2.075  -1.525   0.196  1.00  0.00           H  
HETATM   59  H   UNL     1       1.987  -0.286  -1.079  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.445  -4.355   0.229  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.044  -2.840  -3.271  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.162  -4.247  -2.591  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.235  -4.416  -1.371  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.452  -2.633  -1.326  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.714  -3.567   3.008  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.903  -2.214   2.148  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.485  -2.148   3.812  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.118  -0.984   3.828  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.595  -0.546   0.404  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.975   1.031   0.949  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.530  -0.315   1.938  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.910   1.262   2.483  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.078   2.129   0.166  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.698   0.552  -0.379  1.00  0.00           H  
HETATM   75  H   UNL     1     -11.633   0.783   1.154  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.013   2.360   1.699  1.00  0.00           H  
HETATM   77  H   UNL     1     -11.181   3.227  -0.618  1.00  0.00           H  
HETATM   78  H   UNL     1     -11.801   1.651  -1.163  1.00  0.00           H  
HETATM   79  H   UNL     1     -13.736   1.882   0.370  1.00  0.00           H  
HETATM   80  H   UNL     1     -13.116   3.458   0.915  1.00  0.00           H  
HETATM   81  H   UNL     1     -13.284   4.325  -1.401  1.00  0.00           H  
HETATM   82  H   UNL     1     -13.904   2.749  -1.947  1.00  0.00           H  
HETATM   83  H   UNL     1     -15.839   2.980  -0.413  1.00  0.00           H  
HETATM   84  H   UNL     1     -15.219   4.556   0.132  1.00  0.00           H  
HETATM   85  H   UNL     1     -15.387   5.424  -2.185  1.00  0.00           H  
HETATM   86  H   UNL     1     -16.007   3.847  -2.730  1.00  0.00           H  
HETATM   87  H   UNL     1     -17.942   4.078  -1.197  1.00  0.00           H  
HETATM   88  H   UNL     1     -17.322   5.655  -0.652  1.00  0.00           H  
HETATM   89  H   UNL     1     -17.862   5.444  -2.335  1.00  0.00           H  
HETATM   90  H   UNL     1      15.754   0.063   0.009  1.00  0.00           H  
HETATM   91  H   UNL     1      16.350   0.989   1.425  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.859   0.094   1.901  1.00  0.00           H  
HETATM   93  H   UNL     1      14.100   1.245   1.993  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.886   0.131   3.293  1.00  0.00           H  
HETATM   95  H   UNL     1      13.479  -0.559   0.347  1.00  0.00           H  
HETATM   96  H   UNL     1      13.391   0.679  -0.929  1.00  0.00           H  
HETATM   97  H   UNL     1       4.488  -0.984   0.554  1.00  0.00           H  
HETATM   98  H   UNL     1       4.400   0.254  -0.721  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.338  -2.065  -0.162  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.426  -0.827  -1.438  1.00  0.00           H  
HETATM  101  H   UNL     1       6.900  -0.443   0.913  1.00  0.00           H  
HETATM  102  H   UNL     1       6.813   0.795  -0.363  1.00  0.00           H  
HETATM  103  H   UNL     1       6.240  -2.181  -0.728  1.00  0.00           H  
HETATM  104  H   UNL     1       6.152  -0.943  -2.004  1.00  0.00           H  
HETATM  105  H   UNL     1       3.827  -2.722  -1.087  1.00  0.00           H  
HETATM  106  H   UNL     1       3.739  -1.483  -2.362  1.00  0.00           H  
HETATM  107  H   UNL     1       1.326  -2.024  -2.720  1.00  0.00           H  
HETATM  108  H   UNL     1       1.414  -3.262  -1.445  1.00  0.00           H  
HETATM  109  H   UNL     1      -1.026  -2.631  -3.080  1.00  0.00           H  
HETATM  110  H   UNL     1      -7.551  -2.387   2.012  1.00  0.00           H  
HETATM  111  H   UNL     1      -1.153  -4.304  -0.711  1.00  0.00           H  
CONECT    1   37   38   12   44                                       
CONECT    2   41   11   14   45                                       
CONECT    3    4   33   46   47                                       
CONECT    4    5    3   48   49                                       
CONECT    5    6    4   50   51                                       
CONECT    6    5   30   52   53                                       
CONECT    7   40   40   39   28                                       
CONECT    8   39    9   26   54                                       
CONECT    9    8   55   56   57                                       
CONECT   10   36   35   58   59                                       
CONECT   11    2   38   13   60                                       
CONECT   12    1   13   61   62                                       
CONECT   13   11   12   63   64                                       
CONECT   14    2   15   65   66                                       
CONECT   15   14   27   67   68                                       
CONECT   16   17   29   69   70                                       
CONECT   17   18   16   71   72                                       
CONECT   18   17   19   73   74                                       
CONECT   19   20   18   75   76                                       
CONECT   20   21   19   77   78                                       
CONECT   21   20   22   79   80                                       
CONECT   22   21   23   81   82                                       
CONECT   23   22   24   83   84                                       
CONECT   24   25   23   85   86                                       
CONECT   25   24   87   88   89                                       
CONECT   26   28    8   90   91                                       
CONECT   27   41   15   29   92                                       
CONECT   28    7   30   26   93                                       
CONECT   29   16   42   27   94                                       
CONECT   30    6   28   95   96                                       
CONECT   31   34   35   97   98                                       
CONECT   32   37   36   99  100                                       
CONECT   33    3   34  101  102                                       
CONECT   34   33   31  103  104                                       
CONECT   35   10   31  105  106                                       
CONECT   36   32   10  107  108                                       
CONECT   37   43   32    1  109                                       
CONECT   38   11    1                                                 
CONECT   39    7    8                                                 
CONECT   40    7    7                                                 
CONECT   41    2   27                                                 
CONECT   42   29  110                                                 
CONECT   43   37  111                                                 
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   15                                                      
CONECT   69   16                                                      
CONECT   70   16                                                      
CONECT   71   17                                                      
CONECT   72   17                                                      
CONECT   73   18                                                      
CONECT   74   18                                                      
CONECT   75   19                                                      
CONECT   76   19                                                      
CONECT   77   20                                                      
CONECT   78   20                                                      
CONECT   79   21                                                      
CONECT   80   21                                                      
CONECT   81   22                                                      
CONECT   82   22                                                      
CONECT   83   23                                                      
CONECT   84   23                                                      
CONECT   85   24                                                      
CONECT   86   24                                                      
CONECT   87   25                                                      
CONECT   88   25                                                      
CONECT   89   25                                                      
CONECT   90   26                                                      
CONECT   91   26                                                      
CONECT   92   27                                                      
CONECT   93   28                                                      
CONECT   94   29                                                      
CONECT   95   30                                                      
CONECT   96   30                                                      
CONECT   97   31                                                      
CONECT   98   31                                                      
CONECT   99   32                                                      
CONECT  100   32                                                      
CONECT  101   33                                                      
CONECT  102   33                                                      
CONECT  103   34                                                      
CONECT  104   34                                                      
CONECT  105   35                                                      
CONECT  106   35                                                      
CONECT  107   36                                                      
CONECT  108   36                                                      
CONECT  109   37                                                      
CONECT  110   42                                                      
CONECT  111   43                                                      
MASTER        0    0    0    0    0    0    0    0  111    0  111    0
END
