COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.067   3.586   1.382  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.581   2.730  -2.444  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.496   2.852  -1.069  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.516  -2.154  -0.258  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.250  -2.845   0.917  1.00  0.00           C  
HETATM    6  C   UNL     1       0.012  -3.354   1.147  1.00  0.00           C  
HETATM    7  C   UNL     1       1.016  -3.175   0.204  1.00  0.00           C  
HETATM    8  C   UNL     1       0.749  -2.484  -0.970  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.513  -1.975  -1.201  1.00  0.00           C  
HETATM   10  C   UNL     1       3.354  -3.502  -0.557  1.00  0.00           C  
HETATM   11  C   UNL     1       4.103  -2.201  -0.263  1.00  0.00           C  
HETATM   12  C   UNL     1       5.126  -1.940  -1.371  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.139  -0.349   0.075  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.643  -2.368  -1.230  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.041  -1.927  -1.536  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.514  -0.904  -0.544  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.625  -0.167   0.208  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.099   0.770   1.115  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.459   0.971   1.268  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.356   0.226   0.507  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.879  -0.707  -0.396  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.555  -0.384  -0.164  1.00  0.00           C  
HETATM   23 CL   UNL     1      -0.948   3.980  -3.468  1.00  0.00          Cl  
HETATM   24  C   UNL     1      -2.000   1.855  -0.254  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.590   0.737  -0.814  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.675   0.614  -2.188  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.167   1.607  -3.004  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.799  -1.642  -0.494  1.00  0.00           N  
HETATM   29  O   UNL     1      -8.695   0.417   0.650  1.00  0.00           O  
HETATM   30  O   UNL     1      -6.918   1.891   2.158  1.00  0.00           O  
HETATM   31  C   UNL     1      -5.939   2.648   2.871  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.553   3.972   3.331  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.468   1.853   4.091  1.00  0.00           C  
HETATM   34  O   UNL     1      -3.261  -3.431  -1.671  1.00  0.00           O  
HETATM   35  N   UNL     1       2.295  -3.691   0.438  1.00  0.00           N  
HETATM   36  C   UNL     1       5.875  -0.639  -1.077  1.00  0.00           C  
HETATM   37  C   UNL     1       6.598  -0.759   0.266  1.00  0.00           C  
HETATM   38  C   UNL     1       5.576  -1.020   1.374  1.00  0.00           C  
HETATM   39  C   UNL     1       4.826  -2.321   1.080  1.00  0.00           C  
HETATM   40  N   UNL     1       7.318   0.490   0.548  1.00  0.00           N  
HETATM   41  C   UNL     1       8.027   0.411   1.835  1.00  0.00           C  
HETATM   42  C   UNL     1       8.494   1.814   2.226  1.00  0.00           C  
HETATM   43  N   UNL     1       9.201   2.436   1.110  1.00  0.00           N  
HETATM   44  C   UNL     1       9.093   2.002  -0.151  1.00  0.00           C  
HETATM   45  C   UNL     1       8.262   0.810  -0.531  1.00  0.00           C  
HETATM   46  O   UNL     1       9.691   2.596  -1.023  1.00  0.00           O  
HETATM   47  C   UNL     1       2.576  -4.420   1.678  1.00  0.00           C  
HETATM   48  H   UNL     1      11.076   3.237   1.600  1.00  0.00           H  
HETATM   49  H   UNL     1      10.089   4.239   0.510  1.00  0.00           H  
HETATM   50  H   UNL     1       9.680   4.137   2.239  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.035   3.725  -0.632  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.031  -2.984   1.650  1.00  0.00           H  
HETATM   53  H   UNL     1       0.219  -3.891   2.061  1.00  0.00           H  
HETATM   54  H   UNL     1       1.530  -2.345  -1.704  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.720  -1.437  -2.114  1.00  0.00           H  
HETATM   56  H   UNL     1       2.912  -3.450  -1.552  1.00  0.00           H  
HETATM   57  H   UNL     1       4.049  -4.340  -0.511  1.00  0.00           H  
HETATM   58  H   UNL     1       3.394  -1.374  -0.221  1.00  0.00           H  
HETATM   59  H   UNL     1       5.835  -2.766  -1.413  1.00  0.00           H  
HETATM   60  H   UNL     1       4.610  -1.854  -2.328  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.682  -0.265   1.061  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.069  -1.495  -2.536  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.704  -2.791  -1.501  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.402   1.347   1.704  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.573  -1.286  -0.987  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.594  -0.133   0.048  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.342  -0.191  -1.216  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.384  -1.438   0.054  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.933   1.950   0.819  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.132  -0.261  -2.625  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.234   1.512  -4.077  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.089   2.849   2.218  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.402   3.770   3.984  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.806   4.550   3.875  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.889   4.538   2.463  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.317   1.652   4.744  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.030   0.910   3.763  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.720   2.431   4.635  1.00  0.00           H  
HETATM   79  H   UNL     1       6.603  -0.453  -1.866  1.00  0.00           H  
HETATM   80  H   UNL     1       5.166   0.188  -1.035  1.00  0.00           H  
HETATM   81  H   UNL     1       7.308  -1.586   0.224  1.00  0.00           H  
HETATM   82  H   UNL     1       6.091  -1.105   2.331  1.00  0.00           H  
HETATM   83  H   UNL     1       4.867  -0.193   1.416  1.00  0.00           H  
HETATM   84  H   UNL     1       4.098  -2.507   1.870  1.00  0.00           H  
HETATM   85  H   UNL     1       5.536  -3.148   1.038  1.00  0.00           H  
HETATM   86  H   UNL     1       7.354   0.024   2.600  1.00  0.00           H  
HETATM   87  H   UNL     1       8.889  -0.249   1.738  1.00  0.00           H  
HETATM   88  H   UNL     1       7.629   2.423   2.490  1.00  0.00           H  
HETATM   89  H   UNL     1       9.164   1.747   3.083  1.00  0.00           H  
HETATM   90  H   UNL     1       8.914  -0.046  -0.706  1.00  0.00           H  
HETATM   91  H   UNL     1       7.707   1.032  -1.443  1.00  0.00           H  
HETATM   92  H   UNL     1       2.374  -5.480   1.529  1.00  0.00           H  
HETATM   93  H   UNL     1       3.622  -4.284   1.950  1.00  0.00           H  
HETATM   94  H   UNL     1       1.940  -4.037   2.476  1.00  0.00           H  
CONECT    1   43   48   49   50                                       
CONECT    2   27   23    3    3                                       
CONECT    3    2    2   24   51                                       
CONECT    4    5   28    9    9                                       
CONECT    5    6    6    4   52                                       
CONECT    6    5    5    7   53                                       
CONECT    7    6   35    8    8                                       
CONECT    8    7    7    9   54                                       
CONECT    9    4    4    8   55                                       
CONECT   10   11   35   56   57                                       
CONECT   11   39   10   12   58                                       
CONECT   12   11   36   59   60                                       
CONECT   13   28   17   25   61                                       
CONECT   14   34   34   15   28                                       
CONECT   15   14   16   62   63                                       
CONECT   16   15   21   21   17                                       
CONECT   17   16   13   18   18                                       
CONECT   18   17   17   19   64                                       
CONECT   19   20   20   18   30                                       
CONECT   20   21   29   19   19                                       
CONECT   21   16   16   20   65                                       
CONECT   22   29   66   67   68                                       
CONECT   23    2                                                      
CONECT   24   25   25    3   69                                       
CONECT   25   26   13   24   24                                       
CONECT   26   27   27   25   70                                       
CONECT   27   26   26    2   71                                       
CONECT   28   14    4   13                                            
CONECT   29   22   20                                                 
CONECT   30   19   31                                                 
CONECT   31   30   33   32   72                                       
CONECT   32   31   73   74   75                                       
CONECT   33   31   76   77   78                                       
CONECT   34   14   14                                                 
CONECT   35    7   47   10                                            
CONECT   36   37   12   79   80                                       
CONECT   37   38   40   36   81                                       
CONECT   38   39   37   82   83                                       
CONECT   39   38   11   84   85                                       
CONECT   40   45   41   37                                            
CONECT   41   42   40   86   87                                       
CONECT   42   43   41   88   89                                       
CONECT   43    1   44   42                                            
CONECT   44   46   46   43   45                                       
CONECT   45   44   40   90   91                                       
CONECT   46   44   44                                                 
CONECT   47   35   92   93   94                                       
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    3                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   18                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   24                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   36                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
CONECT   85   39                                                      
CONECT   86   41                                                      
CONECT   87   41                                                      
CONECT   88   42                                                      
CONECT   89   42                                                      
CONECT   90   45                                                      
CONECT   91   45                                                      
CONECT   92   47                                                      
CONECT   93   47                                                      
CONECT   94   47                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
