COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -10.531   2.498   1.367  1.00  0.00           O  
HETATM    2  C   UNL     1      -9.677   3.309   1.071  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.658   4.641   1.684  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.859   5.588   1.209  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.888   6.944   1.865  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.929   5.376   0.054  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.380   4.206  -0.822  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.256   3.874  -1.815  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.926   3.914  -1.061  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.878   3.479  -1.930  1.00  0.00           O  
HETATM   11  C   UNL     1      -5.976   3.006   0.158  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.852   1.997   0.289  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.700   2.346   0.439  1.00  0.00           O  
HETATM   14  O   UNL     1      -9.574   4.551  -1.527  1.00  0.00           O  
HETATM   15  C   UNL     1      -8.601   2.972   0.066  1.00  0.00           C  
HETATM   16  O   UNL     1      -9.035   1.877  -0.744  1.00  0.00           O  
HETATM   17  C   UNL     1      -7.317   2.581   0.765  1.00  0.00           C  
HETATM   18  O   UNL     1      -6.495   3.572   1.367  1.00  0.00           O  
HETATM   19  C   UNL     1      -7.319   1.202   1.408  1.00  0.00           C  
HETATM   20  O   UNL     1      -7.993   0.960   2.386  1.00  0.00           O  
HETATM   21  C   UNL     1      -6.462   0.172   0.785  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.842  -1.161   0.738  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.006  -2.093   0.142  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.224   0.572   0.226  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.393  -0.378  -0.369  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.204  -0.008  -0.905  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.798  -1.711  -0.405  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.908  -2.745  -1.046  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.701  -3.849  -1.488  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.955  -4.880  -2.137  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.906  -5.990  -2.589  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.926  -5.456  -1.160  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.128  -6.464  -1.834  1.00  0.00           O  
HETATM   34  C   UNL     1      -2.572  -7.729  -1.782  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.596  -7.986  -1.193  1.00  0.00           O  
HETATM   36  C   UNL     1      -1.796  -8.829  -2.459  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.877  -3.234  -0.025  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.016  -4.327  -0.665  1.00  0.00           C  
HETATM   39  O   UNL     1      -1.100  -4.842   0.303  1.00  0.00           O  
HETATM   40  C   UNL     1       0.106  -4.240   0.386  1.00  0.00           C  
HETATM   41  O   UNL     1       0.370  -3.304  -0.345  1.00  0.00           O  
HETATM   42  C   UNL     1       1.063  -4.699   1.324  1.00  0.00           C  
HETATM   43  C   UNL     1       2.277  -4.093   1.408  1.00  0.00           C  
HETATM   44  C   UNL     1       3.229  -4.550   2.341  1.00  0.00           C  
HETATM   45  C   UNL     1       4.444  -3.943   2.425  1.00  0.00           C  
HETATM   46  C   UNL     1       5.397  -4.399   3.358  1.00  0.00           C  
HETATM   47  C   UNL     1       6.612  -3.792   3.442  1.00  0.00           C  
HETATM   48  H   UNL     1     -10.300   4.853   2.526  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.609   6.937   2.683  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.898   7.180   2.256  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.177   7.697   1.132  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.899   6.283  -0.551  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.929   5.169   0.435  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.414   2.879  -2.230  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.245   4.611  -2.618  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.725   4.936  -0.739  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.775   4.022  -2.724  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.480   5.316  -2.111  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.845   2.053  -1.240  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.785  -1.471   1.163  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.304  -3.131   0.106  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.465  -0.042  -0.282  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.393  -2.303  -1.899  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.441  -4.466  -3.004  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.639  -5.580  -3.284  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.337  -6.777  -3.084  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.420  -6.404  -1.722  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.442  -5.906  -0.311  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.910  -8.409  -2.934  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.494  -9.570  -1.718  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.422  -9.304  -3.214  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.243  -2.402   0.279  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.392  -3.639   0.846  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.463  -3.910  -1.507  1.00  0.00           H  
HETATM   75  H   UNL     1       0.829  -5.530   1.973  1.00  0.00           H  
HETATM   76  H   UNL     1       2.511  -3.262   0.759  1.00  0.00           H  
HETATM   77  H   UNL     1       2.995  -5.381   2.990  1.00  0.00           H  
HETATM   78  H   UNL     1       4.679  -3.112   1.777  1.00  0.00           H  
HETATM   79  H   UNL     1       5.162  -5.230   4.006  1.00  0.00           H  
HETATM   80  H   UNL     1       7.341  -4.142   4.157  1.00  0.00           H  
HETATM   81  C   UNL     1       6.918  -2.707   2.595  1.00  0.00           C  
HETATM   82  C   UNL     1       8.130  -2.102   2.679  1.00  0.00           C  
HETATM   83  C   UNL     1       8.447  -0.976   1.801  1.00  0.00           C  
HETATM   84  O   UNL     1       7.624  -0.582   0.994  1.00  0.00           O  
HETATM   85  N   UNL     1       9.651  -0.375   1.884  1.00  0.00           N  
HETATM   86  C   UNL     1       9.996   0.635   0.972  1.00  0.00           C  
HETATM   87  C   UNL     1      10.326   1.898   1.424  1.00  0.00           C  
HETATM   88  C   UNL     1      10.013   0.367  -0.411  1.00  0.00           C  
HETATM   89  C   UNL     1      10.679   2.916   0.426  1.00  0.00           C  
HETATM   90  O   UNL     1      10.338   1.311  -1.308  1.00  0.00           O  
HETATM   91  C   UNL     1      10.665   2.567  -0.936  1.00  0.00           C  
HETATM   92  O   UNL     1      10.325   2.189   2.747  1.00  0.00           O  
HETATM   93  O   UNL     1       9.725  -0.751  -0.802  1.00  0.00           O  
HETATM   94  C   UNL     1      11.023   4.215   0.813  1.00  0.00           C  
HETATM   95  C   UNL     1      10.997   3.522  -1.887  1.00  0.00           C  
HETATM   96  C   UNL     1      11.346   5.143  -0.134  1.00  0.00           C  
HETATM   97  C   UNL     1      11.336   4.804  -1.485  1.00  0.00           C  
HETATM   98 CL   UNL     1      10.987   3.112  -3.573  1.00  0.00          Cl  
HETATM   99  O   UNL     1      11.660   5.738  -2.416  1.00  0.00           O  
HETATM  100  H   UNL     1       6.188  -2.357   1.880  1.00  0.00           H  
HETATM  101  H   UNL     1       8.860  -2.451   3.394  1.00  0.00           H  
HETATM  102  H   UNL     1      10.279  -0.641   2.574  1.00  0.00           H  
HETATM  103  H   UNL     1      10.078   1.445   3.313  1.00  0.00           H  
HETATM  104  H   UNL     1      11.033   4.483   1.860  1.00  0.00           H  
HETATM  105  H   UNL     1      11.612   6.146   0.166  1.00  0.00           H  
HETATM  106  H   UNL     1      10.906   6.250  -2.740  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   15                                       
CONECT    3    2    4    4   48                                       
CONECT    4    3    3    5    6                                       
CONECT    5    4   49   50   51                                       
CONECT    6    4    7   52   53                                       
CONECT    7   15    8    6   14                                       
CONECT    8    9    7   54   55                                       
CONECT    9   11    8   10   56                                       
CONECT   10    9   57                                                 
CONECT   11   18   17   12    9                                       
CONECT   12   24   11   13   13                                       
CONECT   13   12   12                                                 
CONECT   14    7   58                                                 
CONECT   15    2   17   16    7                                       
CONECT   16   15   59                                                 
CONECT   17   19   18   15   11                                       
CONECT   18   17   11                                                 
CONECT   19   21   20   20   17                                       
CONECT   20   19   19                                                 
CONECT   21   22   19   24   24                                       
CONECT   22   23   23   21   60                                       
CONECT   23   22   22   27   61                                       
CONECT   24   21   21   25   12                                       
CONECT   25   27   27   24   26                                       
CONECT   26   25   62                                                 
CONECT   27   23   28   25   25                                       
CONECT   28   37   29   27   63                                       
CONECT   29   30   28                                                 
CONECT   30   32   31   29   64                                       
CONECT   31   30   65   66   67                                       
CONECT   32   33   38   30   68                                       
CONECT   33   34   32                                                 
CONECT   34   35   35   36   33                                       
CONECT   35   34   34                                                 
CONECT   36   34   69   70   71                                       
CONECT   37   38   28   72   73                                       
CONECT   38   39   32   37   74                                       
CONECT   39   40   38                                                 
CONECT   40   42   39   41   41                                       
CONECT   41   40   40                                                 
CONECT   42   43   43   40   75                                       
CONECT   43   44   42   42   76                                       
CONECT   44   45   45   43   77                                       
CONECT   45   46   44   44   78                                       
CONECT   46   47   47   45   79                                       
CONECT   47   46   46   80   81                                       
CONECT   48    3                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   14                                                      
CONECT   59   16                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   26                                                      
CONECT   63   28                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   42                                                      
CONECT   76   43                                                      
CONECT   77   44                                                      
CONECT   78   45                                                      
CONECT   79   46                                                      
CONECT   80   47                                                      
CONECT   81   47   82   82  100                                       
CONECT   82   81   81   83  101                                       
CONECT   83   82   84   84   85                                       
CONECT   84   83   83                                                 
CONECT   85   83   86  102                                            
CONECT   86   85   87   87   88                                       
CONECT   87   86   86   89   92                                       
CONECT   88   86   90   93   93                                       
CONECT   89   87   91   91   94                                       
CONECT   90   88   91                                                 
CONECT   91   90   89   89   95                                       
CONECT   92   87  103                                                 
CONECT   93   88   88                                                 
CONECT   94   89   96   96  104                                       
CONECT   95   91   97   97   98                                       
CONECT   96   94   94   97  105                                       
CONECT   97   95   95   96   99                                       
CONECT   98   95                                                      
CONECT   99   97  106                                                 
CONECT  100   81                                                      
CONECT  101   82                                                      
CONECT  102   85                                                      
CONECT  103   92                                                      
CONECT  104   94                                                      
CONECT  105   96                                                      
CONECT  106   99                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
