COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.392   0.321   0.734  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.009  -0.919   1.430  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.269  -0.601   2.731  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.166  -1.791   0.537  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.364  -1.592   1.726  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.566  -1.748   3.234  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.447  -2.932   1.042  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.356  -0.664   1.168  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.766   0.358   0.642  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.500   1.468  -0.001  1.00  0.00           C  
HETATM   11  C   UNL     1       0.519  -2.868   1.069  1.00  0.00           C  
HETATM   12  C   UNL     1       1.292  -3.668   0.250  1.00  0.00           C  
HETATM   13  C   UNL     1       1.381  -3.392  -1.103  1.00  0.00           C  
HETATM   14 CL   UNL     1       2.352  -4.398  -2.132  1.00  0.00          Cl  
HETATM   15  C   UNL     1       0.695  -2.315  -1.635  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.082  -1.518  -0.816  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.949  -4.060   1.668  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.025  -5.289   1.041  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.601  -5.391  -0.213  1.00  0.00           C  
HETATM   20 CL   UNL     1      -2.697  -6.935  -1.001  1.00  0.00          Cl  
HETATM   21  C   UNL     1      -3.099  -4.263  -0.839  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.027  -3.035  -0.209  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.544   1.262   0.272  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.954   2.145  -0.455  1.00  0.00           O  
HETATM   25  N   UNL     1       0.758   1.222   0.615  1.00  0.00           N  
HETATM   26  C   UNL     1       1.306   0.085   1.371  1.00  0.00           C  
HETATM   27  C   UNL     1       2.550  -0.432   0.641  1.00  0.00           C  
HETATM   28  N   UNL     1       3.486   0.680   0.428  1.00  0.00           N  
HETATM   29  C   UNL     1       2.901   1.710  -0.442  1.00  0.00           C  
HETATM   30  C   UNL     1       1.672   2.311   0.239  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.312   1.223  -1.110  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.994   2.263  -1.705  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.877   3.550  -1.208  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.628   4.679  -1.867  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.501   5.386  -0.828  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.631   5.677  -2.459  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.077   3.805  -0.112  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.388   2.770   0.502  1.00  0.00           C  
HETATM   39  O   UNL     1      -2.605   3.018   1.582  1.00  0.00           O  
HETATM   40  C   UNL     1      -2.540   4.371   2.039  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.616   4.454   3.256  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.514   4.120  -2.982  1.00  0.00           C  
HETATM   43  C   UNL     1       5.828   1.284   0.044  1.00  0.00           C  
HETATM   44  C   UNL     1       7.158   0.781  -0.520  1.00  0.00           C  
HETATM   45  S   UNL     1       8.420   2.070  -0.333  1.00  0.00           S  
HETATM   46  C   UNL     1       9.881   1.271  -1.054  1.00  0.00           C  
HETATM   47  O   UNL     1       8.061   3.177  -1.148  1.00  0.00           O  
HETATM   48  O   UNL     1       8.655   2.276   1.053  1.00  0.00           O  
HETATM   49  C   UNL     1       4.763   0.197  -0.114  1.00  0.00           C  
HETATM   50  H   UNL     1       0.699  -1.101   2.730  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.122   0.476   2.811  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.858  -0.951   3.579  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.548  -0.766   3.707  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.527  -2.226   3.425  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.767  -2.365   3.646  1.00  0.00           H  
HETATM   56  H   UNL     1       0.449  -3.083   2.125  1.00  0.00           H  
HETATM   57  H   UNL     1       1.828  -4.509   0.666  1.00  0.00           H  
HETATM   58  H   UNL     1       0.764  -2.099  -2.691  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.617  -0.677  -1.231  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.500  -3.980   2.647  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.636  -6.170   1.530  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.549  -4.342  -1.818  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.417  -2.154  -0.697  1.00  0.00           H  
HETATM   64  H   UNL     1       1.579   0.410   2.375  1.00  0.00           H  
HETATM   65  H   UNL     1       0.560  -0.708   1.431  1.00  0.00           H  
HETATM   66  H   UNL     1       3.031  -1.202   1.243  1.00  0.00           H  
HETATM   67  H   UNL     1       2.258  -0.851  -0.322  1.00  0.00           H  
HETATM   68  H   UNL     1       3.637   2.493  -0.624  1.00  0.00           H  
HETATM   69  H   UNL     1       2.605   1.260  -1.389  1.00  0.00           H  
HETATM   70  H   UNL     1       1.169   2.990  -0.450  1.00  0.00           H  
HETATM   71  H   UNL     1       1.981   2.855   1.132  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.405   0.221  -1.500  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.622   2.072  -2.563  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.870   5.784  -0.034  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.044   6.202  -1.305  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.211   4.674  -0.406  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.009   5.173  -3.199  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.174   6.493  -2.936  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.000   6.075  -1.665  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.991   4.812   0.271  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.150   5.005   1.242  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.538   4.709   2.317  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.006   3.820   4.052  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.618   4.116   2.978  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.566   5.486   3.604  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.262   3.454  -2.552  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.011   4.941  -3.497  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.899   3.565  -3.691  1.00  0.00           H  
HETATM   89  H   UNL     1       5.949   1.523   1.101  1.00  0.00           H  
HETATM   90  H   UNL     1       5.518   2.178  -0.498  1.00  0.00           H  
HETATM   91  H   UNL     1       7.468  -0.113   0.021  1.00  0.00           H  
HETATM   92  H   UNL     1       7.037   0.542  -1.577  1.00  0.00           H  
HETATM   93  H   UNL     1       9.680   1.018  -2.094  1.00  0.00           H  
HETATM   94  H   UNL     1      10.730   1.953  -1.003  1.00  0.00           H  
HETATM   95  H   UNL     1      10.111   0.363  -0.496  1.00  0.00           H  
HETATM   96  H   UNL     1       5.072  -0.696   0.428  1.00  0.00           H  
HETATM   97  H   UNL     1       4.642  -0.042  -1.171  1.00  0.00           H  
CONECT    1    2   23    9                                            
CONECT    2    4    3    5    1                                       
CONECT    3    2   50   51   52                                       
CONECT    4   16   16   11    2                                       
CONECT    5    2    7    6    8                                       
CONECT    6    5   53   54   55                                       
CONECT    7   17   17   22    5                                       
CONECT    8    5    9    9                                            
CONECT    9    1    8    8   10                                       
CONECT   10    9   38   38   31                                       
CONECT   11   12   12    4   56                                       
CONECT   12   13   11   11   57                                       
CONECT   13   14   15   15   12                                       
CONECT   14   13                                                      
CONECT   15   13   13   16   58                                       
CONECT   16   15    4    4   59                                       
CONECT   17   18    7    7   60                                       
CONECT   18   19   19   17   61                                       
CONECT   19   20   18   18   21                                       
CONECT   20   19                                                      
CONECT   21   19   22   22   62                                       
CONECT   22   21   21    7   63                                       
CONECT   23   24   24    1   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   30                                            
CONECT   26   25   27   64   65                                       
CONECT   27   26   28   66   67                                       
CONECT   28   27   29   49                                            
CONECT   29   30   28   68   69                                       
CONECT   30   25   29   70   71                                       
CONECT   31   10   32   32   72                                       
CONECT   32   31   31   33   73                                       
CONECT   33   37   37   32   34                                       
CONECT   34   33   36   35   42                                       
CONECT   35   34   74   75   76                                       
CONECT   36   34   77   78   79                                       
CONECT   37   38   33   33   80                                       
CONECT   38   39   10   10   37                                       
CONECT   39   40   38                                                 
CONECT   40   41   39   81   82                                       
CONECT   41   40   83   84   85                                       
CONECT   42   34   86   87   88                                       
CONECT   43   49   44   89   90                                       
CONECT   44   43   45   91   92                                       
CONECT   45   44   48   48   47                                       
CONECT   45   47   46                                                 
CONECT   46   45   93   94   95                                       
CONECT   47   45   45                                                 
CONECT   48   45   45                                                 
CONECT   49   28   43   96   97                                       
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   35                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   40                                                      
CONECT   82   40                                                      
CONECT   83   41                                                      
CONECT   84   41                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
CONECT   87   42                                                      
CONECT   88   42                                                      
CONECT   89   43                                                      
CONECT   90   43                                                      
CONECT   91   44                                                      
CONECT   92   44                                                      
CONECT   93   46                                                      
CONECT   94   46                                                      
CONECT   95   46                                                      
CONECT   96   49                                                      
CONECT   97   49                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
