COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.496   3.055  -0.238  1.00  0.00           C  
HETATM    2  C   UNL     1       4.287   2.694   3.168  1.00  0.00           C  
HETATM    3  C   UNL     1       4.056   1.210   3.298  1.00  0.00           C  
HETATM    4  C   UNL     1       4.516   0.511   2.017  1.00  0.00           C  
HETATM    5  C   UNL     1       3.296  -0.047   1.298  1.00  0.00           C  
HETATM    6  C   UNL     1       2.986   0.481   0.135  1.00  0.00           C  
HETATM    7  C   UNL     1       1.890   0.181  -0.777  1.00  0.00           C  
HETATM    8  C   UNL     1       1.885   0.787  -1.976  1.00  0.00           C  
HETATM    9  C   UNL     1       0.767   0.500  -2.942  1.00  0.00           C  
HETATM   10  C   UNL     1       0.508   1.732  -3.812  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.376   1.342  -4.998  1.00  0.00           C  
HETATM   12  C   UNL     1       0.639   3.640  -2.419  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.635   2.574  -5.867  1.00  0.00           C  
HETATM   14  C   UNL     1       2.323   3.018   4.579  1.00  0.00           C  
HETATM   15  C   UNL     1       4.854   0.672   4.487  1.00  0.00           C  
HETATM   16  C   UNL     1       4.307   1.275   5.783  1.00  0.00           C  
HETATM   17  C   UNL     1       2.553  -1.167   1.971  1.00  0.00           C  
HETATM   18  C   UNL     1       0.755  -0.757  -0.477  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.853   2.625  -0.149  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.198   3.187  -0.617  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.330   2.356  -0.005  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.143   0.888  -0.403  1.00  0.00           C  
HETATM   23  C   UNL     1       0.549   3.815  -1.011  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.761   0.415   0.056  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.543  -1.032  -0.391  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.926   4.342  -2.699  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.565  -1.030  -0.425  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.602  -1.898   0.156  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.240  -2.956   1.005  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.222  -3.768   1.548  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.557  -3.534   1.254  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.918  -2.485   0.412  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.952  -1.668  -0.130  1.00  0.00           C  
HETATM   34  C   UNL     1       1.415   4.645  -0.392  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.347  -0.534  -1.040  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.585   0.728  -0.208  1.00  0.00           C  
HETATM   37  C   UNL     1       6.386  -0.827   1.341  1.00  0.00           C  
HETATM   38  C   UNL     1       7.357  -1.896   1.849  1.00  0.00           C  
HETATM   39  C   UNL     1       8.365  -2.225   0.744  1.00  0.00           C  
HETATM   40  C   UNL     1       7.606  -2.677  -0.507  1.00  0.00           C  
HETATM   41  C   UNL     1       6.625  -1.578  -0.924  1.00  0.00           C  
HETATM   42  C   UNL     1       5.820  -2.046  -2.138  1.00  0.00           C  
HETATM   43  C   UNL     1       7.403  -0.310  -1.285  1.00  0.00           C  
HETATM   44  C   UNL     1       9.047  -4.162  -1.689  1.00  0.00           C  
HETATM   45  C   UNL     1       1.441   4.799   1.059  1.00  0.00           C  
HETATM   46  C   UNL     1      10.030  -4.490  -2.783  1.00  0.00           C  
HETATM   47  C   UNL     1      11.269  -3.605  -2.637  1.00  0.00           C  
HETATM   48  C   UNL     1      10.439  -5.961  -2.677  1.00  0.00           C  
HETATM   49  C   UNL     1       2.383   5.565   1.624  1.00  0.00           C  
HETATM   50  C   UNL     1       2.442   5.696   3.123  1.00  0.00           C  
HETATM   51  C   UNL     1       3.711   5.020   3.642  1.00  0.00           C  
HETATM   52  C   UNL     1       3.481   3.536   3.765  1.00  0.00           C  
HETATM   53  O   UNL     1      -0.152   2.734  -3.033  1.00  0.00           O  
HETATM   54  O   UNL     1      -6.169   0.079   0.230  1.00  0.00           O  
HETATM   55  O   UNL     1      -6.066  -1.314  -1.497  1.00  0.00           O  
HETATM   56  O   UNL     1     -10.516  -4.335   1.784  1.00  0.00           O  
HETATM   57  O   UNL     1      -5.933  -3.183   1.291  1.00  0.00           O  
HETATM   58  O   UNL     1       5.736  -1.299   0.159  1.00  0.00           O  
HETATM   59  O   UNL     1       6.629  -3.076   2.198  1.00  0.00           O  
HETATM   60  O   UNL     1       9.230  -3.274   1.183  1.00  0.00           O  
HETATM   61  O   UNL     1       8.548  -2.921  -1.585  1.00  0.00           O  
HETATM   62  O   UNL     1       8.708  -5.017  -0.905  1.00  0.00           O  
HETATM   63  O   UNL     1       1.425   4.305  -3.068  1.00  0.00           O  
HETATM   64  O   UNL     1       4.785   5.261   2.730  1.00  0.00           O  
HETATM   65  O   UNL     1       5.407  -0.555   2.347  1.00  0.00           O  
HETATM   66  O   UNL     1       0.283   0.340  -5.775  1.00  0.00           O  
HETATM   67  O   UNL     1      -1.791   3.361  -0.760  1.00  0.00           O  
HETATM   68  O   UNL     1      -2.757   1.249  -0.524  1.00  0.00           O  
HETATM   69  O   UNL     1      -6.587   2.827  -0.494  1.00  0.00           O  
HETATM   70  O   UNL     1      -4.274   3.122  -2.042  1.00  0.00           O  
HETATM   71 CL   UNL     1      -7.780  -5.078   2.598  1.00  0.00          Cl  
HETATM   72 CL   UNL     1     -11.592  -2.202   0.051  1.00  0.00          Cl  
HETATM   73  H   UNL     1      -0.311   1.985  -0.331  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.451   3.342   0.813  1.00  0.00           H  
HETATM   75  H   UNL     1       5.113   3.060   2.579  1.00  0.00           H  
HETATM   76  H   UNL     1       2.995   1.019   3.455  1.00  0.00           H  
HETATM   77  H   UNL     1       5.025   1.228   1.373  1.00  0.00           H  
HETATM   78  H   UNL     1       3.678   1.279  -0.204  1.00  0.00           H  
HETATM   79  H   UNL     1       2.676   1.468  -2.234  1.00  0.00           H  
HETATM   80  H   UNL     1       1.044  -0.341  -3.578  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.138   0.253  -2.387  1.00  0.00           H  
HETATM   82  H   UNL     1       1.457   2.123  -4.179  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.325   0.951  -4.630  1.00  0.00           H  
HETATM   84  H   UNL     1       0.314   2.965  -6.235  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.265   2.296  -6.712  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.138   3.338  -5.274  1.00  0.00           H  
HETATM   87  H   UNL     1       1.528   3.764   4.597  1.00  0.00           H  
HETATM   88  H   UNL     1       1.948   2.098   4.132  1.00  0.00           H  
HETATM   89  H   UNL     1       2.656   2.818   5.598  1.00  0.00           H  
HETATM   90  H   UNL     1       4.763  -0.414   4.524  1.00  0.00           H  
HETATM   91  H   UNL     1       5.904   0.945   4.374  1.00  0.00           H  
HETATM   92  H   UNL     1       3.234   1.092   5.844  1.00  0.00           H  
HETATM   93  H   UNL     1       4.804   0.812   6.636  1.00  0.00           H  
HETATM   94  H   UNL     1       4.494   2.348   5.792  1.00  0.00           H  
HETATM   95  H   UNL     1       3.032  -1.401   2.922  1.00  0.00           H  
HETATM   96  H   UNL     1       1.521  -0.863   2.149  1.00  0.00           H  
HETATM   97  H   UNL     1       2.567  -2.049   1.331  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.089  -0.192  -0.082  1.00  0.00           H  
HETATM   99  H   UNL     1       0.455  -1.267  -1.392  1.00  0.00           H  
HETATM  100  H   UNL     1       1.077  -1.492   0.260  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.779   2.713   0.935  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.291   4.224  -0.294  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.304   2.447   1.081  1.00  0.00           H  
HETATM  104  H   UNL     1      -5.220   0.792  -1.486  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.700   0.474   1.143  1.00  0.00           H  
HETATM  106  H   UNL     1      -3.605  -1.090  -1.477  1.00  0.00           H  
HETATM  107  H   UNL     1      -2.560  -1.369  -0.064  1.00  0.00           H  
HETATM  108  H   UNL     1      -4.311  -1.668   0.051  1.00  0.00           H  
HETATM  109  H   UNL     1      -4.560   5.148  -2.329  1.00  0.00           H  
HETATM  110  H   UNL     1      -2.882   4.579  -2.496  1.00  0.00           H  
HETATM  111  H   UNL     1      -4.071   4.230  -3.774  1.00  0.00           H  
HETATM  112  H   UNL     1       2.128   5.201  -0.994  1.00  0.00           H  
HETATM  113  H   UNL     1      -8.549  -0.350  -1.759  1.00  0.00           H  
HETATM  114  H   UNL     1     -10.262  -0.796  -1.571  1.00  0.00           H  
HETATM  115  H   UNL     1     -10.382   0.545   0.512  1.00  0.00           H  
HETATM  116  H   UNL     1      -8.670   0.991   0.323  1.00  0.00           H  
HETATM  117  H   UNL     1      -9.871   1.549  -0.866  1.00  0.00           H  
HETATM  118  H   UNL     1       6.936   0.086   1.114  1.00  0.00           H  
HETATM  119  H   UNL     1       7.886  -1.521   2.725  1.00  0.00           H  
HETATM  120  H   UNL     1       8.955  -1.338   0.512  1.00  0.00           H  
HETATM  121  H   UNL     1       7.056  -3.592  -0.289  1.00  0.00           H  
HETATM  122  H   UNL     1       5.266  -2.948  -1.880  1.00  0.00           H  
HETATM  123  H   UNL     1       5.122  -1.263  -2.434  1.00  0.00           H  
HETATM  124  H   UNL     1       6.498  -2.259  -2.964  1.00  0.00           H  
HETATM  125  H   UNL     1       8.081  -0.523  -2.111  1.00  0.00           H  
HETATM  126  H   UNL     1       6.704   0.472  -1.582  1.00  0.00           H  
HETATM  127  H   UNL     1       7.976   0.023  -0.420  1.00  0.00           H  
HETATM  128  H   UNL     1       0.724   4.308   1.695  1.00  0.00           H  
HETATM  129  H   UNL     1       9.567  -4.311  -3.753  1.00  0.00           H  
HETATM  130  H   UNL     1      11.732  -3.785  -1.667  1.00  0.00           H  
HETATM  131  H   UNL     1      11.981  -3.842  -3.428  1.00  0.00           H  
HETATM  132  H   UNL     1      10.978  -2.557  -2.712  1.00  0.00           H  
HETATM  133  H   UNL     1       9.556  -6.592  -2.781  1.00  0.00           H  
HETATM  134  H   UNL     1      11.150  -6.198  -3.469  1.00  0.00           H  
HETATM  135  H   UNL     1      10.901  -6.141  -1.707  1.00  0.00           H  
HETATM  136  H   UNL     1       3.104   6.076   1.004  1.00  0.00           H  
HETATM  137  H   UNL     1       2.454   6.752   3.396  1.00  0.00           H  
HETATM  138  H   UNL     1       1.568   5.217   3.565  1.00  0.00           H  
HETATM  139  H   UNL     1       3.967   5.429   4.619  1.00  0.00           H  
HETATM  140  H   UNL     1     -10.731  -5.105   1.240  1.00  0.00           H  
HETATM  141  H   UNL     1      -5.613  -2.710   2.071  1.00  0.00           H  
HETATM  142  H   UNL     1       5.968  -2.939   2.890  1.00  0.00           H  
HETATM  143  H   UNL     1       9.738  -3.059   1.977  1.00  0.00           H  
HETATM  144  H   UNL     1       4.991   6.197   2.604  1.00  0.00           H  
HETATM  145  H   UNL     1       1.136   0.620  -6.135  1.00  0.00           H  
HETATM  146  H   UNL     1      -6.769   3.753  -0.284  1.00  0.00           H  
CONECT    1   67   23   73   74                                       
CONECT    2   52   52    3   75                                       
CONECT    3   15    2    4   76                                       
CONECT    4    3   65    5   77                                       
CONECT    5    4   17    6    6                                       
CONECT    6    5    5    7   78                                       
CONECT    7    6   18    8    8                                       
CONECT    8    7    7    9   79                                       
CONECT    9    8   10   80   81                                       
CONECT   10   53    9   11   82                                       
CONECT   11   10   66   13   83                                       
CONECT   12   23   63   63   53                                       
CONECT   13   11   84   85   86                                       
CONECT   14   52   87   88   89                                       
CONECT   15   16    3   90   91                                       
CONECT   16   15   92   93   94                                       
CONECT   17    5   95   96   97                                       
CONECT   18    7   98   99  100                                       
CONECT   19   68   20   67  101                                       
CONECT   20   21   19   70  102                                       
CONECT   21   22   69   20  103                                       
CONECT   22   54   24   21  104                                       
CONECT   23    1   34   34   12                                       
CONECT   24   25   22   68  105                                       
CONECT   25   24  106  107  108                                       
CONECT   26   70  109  110  111                                       
CONECT   27   28   54   55   55                                       
CONECT   28   33   33   29   27                                       
CONECT   29   30   30   28   57                                       
CONECT   30   31   71   29   29                                       
CONECT   31   56   32   32   30                                       
CONECT   32   72   31   31   33                                       
CONECT   33   32   35   28   28                                       
CONECT   34   45   23   23  112                                       
CONECT   35   33   36  113  114                                       
CONECT   36   35  115  116  117                                       
CONECT   37   65   38   58  118                                       
CONECT   38   59   37   39  119                                       
CONECT   39   38   60   40  120                                       
CONECT   40   39   41   61  121                                       
CONECT   41   58   40   43   42                                       
CONECT   42   41  122  123  124                                       
CONECT   43   41  125  126  127                                       
CONECT   44   61   62   62   46                                       
CONECT   45   49   49   34  128                                       
CONECT   46   44   48   47  129                                       
CONECT   47   46  130  131  132                                       
CONECT   48   46  133  134  135                                       
CONECT   49   50   45   45  136                                       
CONECT   50   51   49  137  138                                       
CONECT   51   64   50   52  139                                       
CONECT   52   51   14    2    2                                       
CONECT   53   12   10                                                 
CONECT   54   27   22                                                 
CONECT   55   27   27                                                 
CONECT   56   31  140                                                 
CONECT   57   29  141                                                 
CONECT   58   37   41                                                 
CONECT   59   38  142                                                 
CONECT   60   39  143                                                 
CONECT   61   40   44                                                 
CONECT   62   44   44                                                 
CONECT   63   12   12                                                 
CONECT   64   51  144                                                 
CONECT   65    4   37                                                 
CONECT   66   11  145                                                 
CONECT   67   19    1                                                 
CONECT   68   24   19                                                 
CONECT   69   21  146                                                 
CONECT   70   20   26                                                 
CONECT   71   30                                                      
CONECT   72   32                                                      
CONECT   73    1                                                      
CONECT   74    1                                                      
CONECT   75    2                                                      
CONECT   76    3                                                      
CONECT   77    4                                                      
CONECT   78    6                                                      
CONECT   79    8                                                      
CONECT   80    9                                                      
CONECT   81    9                                                      
CONECT   82   10                                                      
CONECT   83   11                                                      
CONECT   84   13                                                      
CONECT   85   13                                                      
CONECT   86   13                                                      
CONECT   87   14                                                      
CONECT   88   14                                                      
CONECT   89   14                                                      
CONECT   90   15                                                      
CONECT   91   15                                                      
CONECT   92   16                                                      
CONECT   93   16                                                      
CONECT   94   16                                                      
CONECT   95   17                                                      
CONECT   96   17                                                      
CONECT   97   17                                                      
CONECT   98   18                                                      
CONECT   99   18                                                      
CONECT  100   18                                                      
CONECT  101   19                                                      
CONECT  102   20                                                      
CONECT  103   21                                                      
CONECT  104   22                                                      
CONECT  105   24                                                      
CONECT  106   25                                                      
CONECT  107   25                                                      
CONECT  108   25                                                      
CONECT  109   26                                                      
CONECT  110   26                                                      
CONECT  111   26                                                      
CONECT  112   34                                                      
CONECT  113   35                                                      
CONECT  114   35                                                      
CONECT  115   36                                                      
CONECT  116   36                                                      
CONECT  117   36                                                      
CONECT  118   37                                                      
CONECT  119   38                                                      
CONECT  120   39                                                      
CONECT  121   40                                                      
CONECT  122   42                                                      
CONECT  123   42                                                      
CONECT  124   42                                                      
CONECT  125   43                                                      
CONECT  126   43                                                      
CONECT  127   43                                                      
CONECT  128   45                                                      
CONECT  129   46                                                      
CONECT  130   47                                                      
CONECT  131   47                                                      
CONECT  132   47                                                      
CONECT  133   48                                                      
CONECT  134   48                                                      
CONECT  135   48                                                      
CONECT  136   49                                                      
CONECT  137   50                                                      
CONECT  138   50                                                      
CONECT  139   51                                                      
CONECT  140   56                                                      
CONECT  141   57                                                      
CONECT  142   59                                                      
CONECT  143   60                                                      
CONECT  144   64                                                      
CONECT  145   66                                                      
CONECT  146   69                                                      
MASTER        0    0    0    0    0    0    0    0  146    0  146    0
END
