COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.424  -4.013  -1.355  1.00  0.00           C  
HETATM    2  C   UNL     1       5.172   1.335   1.678  1.00  0.00           C  
HETATM    3  C   UNL     1       4.941   0.141   0.945  1.00  0.00           C  
HETATM    4  C   UNL     1       3.838  -0.058   0.121  1.00  0.00           C  
HETATM    5  C   UNL     1       2.871   1.076   0.054  1.00  0.00           C  
HETATM    6  C   UNL     1       3.132   2.256   0.730  1.00  0.00           C  
HETATM    7  C   UNL     1       4.284   2.472   1.474  1.00  0.00           C  
HETATM    8  C   UNL     1       1.697   0.942  -0.744  1.00  0.00           C  
HETATM    9  C   UNL     1       0.849   1.932  -0.919  1.00  0.00           C  
HETATM   10  C   UNL     1       1.050   3.162  -0.266  1.00  0.00           C  
HETATM   11  C   UNL     1       2.153   3.329   0.560  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.382   1.666  -1.692  1.00  0.00           C  
HETATM   13  C   UNL     1       6.364   1.474   2.475  1.00  0.00           C  
HETATM   14  C   UNL     1       3.710  -1.237  -0.560  1.00  0.00           C  
HETATM   15  C   UNL     1       2.902  -2.483  -0.411  1.00  0.00           C  
HETATM   16  C   UNL     1       1.796  -2.547   0.109  1.00  0.00           C  
HETATM   17  C   UNL     1       0.816  -3.751   0.017  1.00  0.00           C  
HETATM   18  C   UNL     1       3.602  -3.768  -1.035  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.367  -3.462   0.992  1.00  0.00           C  
HETATM   20  C   UNL     1       6.940  -0.856   0.238  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.986   4.365  -0.724  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.151   4.407   0.029  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.377   4.033  -0.520  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.153   4.789   1.487  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.610   4.107   0.166  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.327   3.005   0.495  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.811   1.683   0.158  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.782   0.610   0.467  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.549  -0.793  -0.026  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.652  -1.574   0.802  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.523  -2.357   0.071  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.858  -3.335   1.117  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.704  -4.094   0.474  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.717  -5.519   0.921  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.558   1.433   0.904  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.182  -0.797  -1.575  1.00  0.00           C  
HETATM   37  C   UNL     1       2.011  -0.314  -2.672  1.00  0.00           C  
HETATM   38  C   UNL     1       1.916  -1.601  -3.450  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.398  -1.495  -0.391  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.830  -0.755  -2.026  1.00  0.00           C  
HETATM   41  N   UNL     1       0.250   4.248  -0.303  1.00  0.00           N  
HETATM   42  O   UNL     1      -0.124  -4.022   2.263  1.00  0.00           O  
HETATM   43  O   UNL     1       1.483  -4.903   0.603  1.00  0.00           O  
HETATM   44  O   UNL     1      -7.103   1.027   0.066  1.00  0.00           O  
HETATM   45  O   UNL     1       4.509   3.565   2.133  1.00  0.00           O  
HETATM   46  O   UNL     1       2.462   4.490   1.163  1.00  0.00           O  
HETATM   47  O   UNL     1       5.832  -0.811   1.139  1.00  0.00           O  
HETATM   48  O   UNL     1       4.449  -1.324  -1.593  1.00  0.00           O  
HETATM   49  O   UNL     1      -1.220   4.427  -1.965  1.00  0.00           O  
HETATM   50  O   UNL     1      -2.460  -2.620   2.302  1.00  0.00           O  
HETATM   51  O   UNL     1      -5.359  -2.492   1.625  1.00  0.00           O  
HETATM   52  O   UNL     1       1.507  -0.242  -1.430  1.00  0.00           O  
HETATM   53  O   UNL     1       2.542   0.656  -3.168  1.00  0.00           O  
HETATM   54  O   UNL     1      -1.976  -0.617   0.325  1.00  0.00           O  
HETATM   55  O   UNL     1      -1.854  -1.693  -1.602  1.00  0.00           O  
HETATM   56  H   UNL     1       1.316  -4.124  -1.973  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.163  -4.930  -1.396  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.174  -3.181  -1.727  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.029   0.997  -1.125  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.904   2.604  -1.879  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.121   1.200  -2.643  1.00  0.00           H  
HETATM   62  H   UNL     1       6.134   1.246   3.515  1.00  0.00           H  
HETATM   63  H   UNL     1       7.126   0.785   2.111  1.00  0.00           H  
HETATM   64  H   UNL     1       6.733   2.497   2.400  1.00  0.00           H  
HETATM   65  H   UNL     1       1.372  -1.669   0.655  1.00  0.00           H  
HETATM   66  H   UNL     1       2.840  -4.484  -1.342  1.00  0.00           H  
HETATM   67  H   UNL     1       4.194  -3.474  -1.902  1.00  0.00           H  
HETATM   68  H   UNL     1       4.253  -4.226  -0.290  1.00  0.00           H  
HETATM   69  H   UNL     1       6.575  -0.999  -0.779  1.00  0.00           H  
HETATM   70  H   UNL     1       7.494   0.081   0.296  1.00  0.00           H  
HETATM   71  H   UNL     1       7.596  -1.684   0.508  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.444   3.769  -1.548  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.286   5.867   1.579  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.970   4.277   1.995  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.205   4.499   1.939  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.988   5.015   0.632  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.331   3.078   0.923  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.559   1.629  -0.904  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.860   0.514   1.610  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.545  -1.322   0.002  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.094  -0.890   1.498  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.980  -2.960  -0.763  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.598  -4.082   1.388  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.838  -4.052  -0.593  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.670  -5.559   2.009  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.635  -5.999   0.580  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.857  -6.040   0.501  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.658   1.814   1.921  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.361   0.362   0.936  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.731   1.940   0.406  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.225  -0.296  -1.724  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.113  -1.826  -1.929  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.957  -0.273  -2.134  1.00  0.00           H  
HETATM   94  H   UNL     1       1.370  -2.341  -2.864  1.00  0.00           H  
HETATM   95  H   UNL     1       1.391  -1.421  -4.388  1.00  0.00           H  
HETATM   96  H   UNL     1       2.919  -1.973  -3.660  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.301   0.122  -2.470  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.236  -0.451  -1.164  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.183  -1.232  -2.763  1.00  0.00           H  
HETATM  100  H   UNL     1       0.644   5.190   0.006  1.00  0.00           H  
HETATM  101  H   UNL     1       2.322  -5.130   0.179  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.413   1.829   0.508  1.00  0.00           H  
HETATM  103  H   UNL     1       5.097   4.184   1.679  1.00  0.00           H  
HETATM  104  H   UNL     1       2.973   5.097   0.609  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.191  -2.183   2.762  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.791  -3.031   2.192  1.00  0.00           H  
HETATM  107  H   UNL     1       0.672  -3.685   2.696  1.00  0.00           H  
HETATM  108  H   UNL     1      -0.503  -2.371   1.064  1.00  0.00           H  
CONECT    1   17   56   57   58                                       
CONECT    2    3   13    7    7                                       
CONECT    3   47    4    4    2                                       
CONECT    4   14    3    3    5                                       
CONECT    5    4    8    8    6                                       
CONECT    6    5    7   11   11                                       
CONECT    7    2    2    6   45                                       
CONECT    8    5    5   52    9                                       
CONECT    9    8   12   10   10                                       
CONECT   10    9    9   11   41                                       
CONECT   11    6    6   46   10                                       
CONECT   12    9   59   60   61                                       
CONECT   13    2   62   63   64                                       
CONECT   14   15   48   48    4                                       
CONECT   15   18   16   16   14                                       
CONECT   16   15   15   17   65                                       
CONECT   17    1   43   16   19                                       
CONECT   18   15   66   67   68                                       
CONECT   19   17   42   33  108                                       
CONECT   20   47   69   70   71                                       
CONECT   21   41   49   49   22                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22   25   72                                       
CONECT   24   22   73   74   75                                       
CONECT   25   23   26   26   76                                       
CONECT   26   27   25   25   77                                       
CONECT   27   28   35   26   78                                       
CONECT   28   29   44   27   79                                       
CONECT   29   30   36   28   80                                       
CONECT   30   31   51   29   81                                       
CONECT   31   32   39   30   82                                       
CONECT   32   50   33   31   83                                       
CONECT   33   19   32   34   84                                       
CONECT   34   33   85   86   87                                       
CONECT   35   27   88   89   90                                       
CONECT   36   29   91   92   93                                       
CONECT   37   38   52   53   53                                       
CONECT   38   37   94   95   96                                       
CONECT   39   55   31   54   54                                       
CONECT   40   55   97   98   99                                       
CONECT   41   10   21  100                                            
CONECT   42   19  107                                                 
CONECT   43   17  101                                                 
CONECT   44   28  102                                                 
CONECT   45    7  103                                                 
CONECT   46   11  104                                                 
CONECT   47   20    3                                                 
CONECT   48   14   14                                                 
CONECT   49   21   21                                                 
CONECT   50   32  105                                                 
CONECT   51   30  106                                                 
CONECT   52   37    8                                                 
CONECT   53   37   37                                                 
CONECT   54   39   39                                                 
CONECT   55   40   39                                                 
CONECT   56    1                                                      
CONECT   57    1                                                      
CONECT   58    1                                                      
CONECT   59   12                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   13                                                      
CONECT   64   13                                                      
CONECT   65   16                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   34                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
CONECT   89   35                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   36                                                      
CONECT   93   36                                                      
CONECT   94   38                                                      
CONECT   95   38                                                      
CONECT   96   38                                                      
CONECT   97   40                                                      
CONECT   98   40                                                      
CONECT   99   40                                                      
CONECT  100   41                                                      
CONECT  101   43                                                      
CONECT  102   44                                                      
CONECT  103   45                                                      
CONECT  104   46                                                      
CONECT  105   50                                                      
CONECT  106   51                                                      
CONECT  107   42                                                      
CONECT  108   19                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
