COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       3.904  -0.181   0.816  1.00  0.00           C  
HETATM    2  O   UNL     1       4.267  -0.548  -0.281  1.00  0.00           O  
HETATM    3  C   UNL     1       4.920   0.259   1.838  1.00  0.00           C  
HETATM    4  C   UNL     1       6.304   0.143   1.252  1.00  0.00           C  
HETATM    5  C   UNL     1       7.013  -1.036   1.386  1.00  0.00           C  
HETATM    6  C   UNL     1       8.283  -1.144   0.850  1.00  0.00           C  
HETATM    7  C   UNL     1       8.844  -0.073   0.178  1.00  0.00           C  
HETATM    8 CL   UNL     1      10.438  -0.208  -0.496  1.00  0.00          Cl  
HETATM    9  C   UNL     1       8.133   1.108   0.044  1.00  0.00           C  
HETATM   10 CL   UNL     1       8.835   2.454  -0.798  1.00  0.00          Cl  
HETATM   11  C   UNL     1       6.861   1.213   0.577  1.00  0.00           C  
HETATM   12  N   UNL     1       2.591  -0.162   1.120  1.00  0.00           N  
HETATM   13  C   UNL     1       1.603  -0.590   0.127  1.00  0.00           C  
HETATM   14  C   UNL     1       0.278   0.066   0.421  1.00  0.00           C  
HETATM   15  O   UNL     1       0.170   0.816   1.368  1.00  0.00           O  
HETATM   16  C   UNL     1       1.444  -2.110   0.188  1.00  0.00           C  
HETATM   17  C   UNL     1       2.756  -2.777  -0.233  1.00  0.00           C  
HETATM   18  C   UNL     1       2.597  -4.297  -0.172  1.00  0.00           C  
HETATM   19  C   UNL     1       3.908  -4.964  -0.592  1.00  0.00           C  
HETATM   20  N   UNL     1       3.756  -6.424  -0.534  1.00  0.00           N  
HETATM   21  N   UNL     1      -0.787  -0.183  -0.367  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.075   0.454  -0.081  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.189  -0.388  -0.647  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.932  -1.418  -1.232  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.110   1.844  -0.720  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.060   2.737  -0.057  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.095   4.127  -0.697  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.045   5.021  -0.034  1.00  0.00           C  
HETATM   29  N   UNL     1      -0.079   6.354  -0.648  1.00  0.00           N  
HETATM   30  C   UNL     1      -8.478   0.535   1.056  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.599  -0.253   0.375  1.00  0.00           C  
HETATM   32  N   UNL     1     -10.887   0.384   0.661  1.00  0.00           N  
HETATM   33  C   UNL     1     -12.044  -0.357   0.623  1.00  0.00           C  
HETATM   34  N   UNL     1     -13.252   0.241   0.892  1.00  0.00           N  
HETATM   35  N   UNL     1     -11.995  -1.627   0.333  1.00  0.00           N  
HETATM   36  C   UNL     1      -9.364  -0.271  -1.137  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.019  -0.936  -1.436  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.898  -0.149  -0.755  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.133  -0.130   0.757  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.553  -0.814  -1.054  1.00  0.00           C  
HETATM   41  N   UNL     1      -4.470   0.005  -0.503  1.00  0.00           N  
HETATM   42  H   UNL     1       4.730   1.296   2.116  1.00  0.00           H  
HETATM   43  H   UNL     1       4.845  -0.374   2.722  1.00  0.00           H  
HETATM   44  H   UNL     1       6.576  -1.872   1.911  1.00  0.00           H  
HETATM   45  H   UNL     1       8.837  -2.065   0.955  1.00  0.00           H  
HETATM   46  H   UNL     1       6.304   2.132   0.469  1.00  0.00           H  
HETATM   47  H   UNL     1       2.300   0.136   1.996  1.00  0.00           H  
HETATM   48  H   UNL     1       1.938  -0.299  -0.869  1.00  0.00           H  
HETATM   49  H   UNL     1       1.195  -2.409   1.206  1.00  0.00           H  
HETATM   50  H   UNL     1       0.646  -2.420  -0.488  1.00  0.00           H  
HETATM   51  H   UNL     1       3.005  -2.478  -1.251  1.00  0.00           H  
HETATM   52  H   UNL     1       3.553  -2.467   0.442  1.00  0.00           H  
HETATM   53  H   UNL     1       2.348  -4.596   0.846  1.00  0.00           H  
HETATM   54  H   UNL     1       1.799  -4.607  -0.847  1.00  0.00           H  
HETATM   55  H   UNL     1       4.158  -4.665  -1.610  1.00  0.00           H  
HETATM   56  H   UNL     1       4.706  -4.655   0.083  1.00  0.00           H  
HETATM   57  H   UNL     1       2.981  -6.730  -1.102  1.00  0.00           H  
HETATM   58  H   UNL     1       4.610  -6.888  -0.807  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.700  -0.783  -1.124  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.202   0.548   0.998  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.894   1.759  -1.786  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.098   2.282  -0.584  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.275   2.822   1.008  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.071   2.299  -0.194  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.879   4.042  -1.762  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.084   4.565  -0.560  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.261   5.105   1.031  1.00  0.00           H  
HETATM   68  H   UNL     1       0.944   4.582  -0.170  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.003   6.755  -0.591  1.00  0.00           H  
HETATM   70  H   UNL     1       0.606   6.964  -0.227  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.470   1.557   0.677  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.645   0.548   2.133  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.607  -1.275   0.754  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.923   1.329   0.878  1.00  0.00           H  
HETATM   75  H   UNL     1     -13.289   1.186   1.109  1.00  0.00           H  
HETATM   76  H   UNL     1     -14.069  -0.282   0.865  1.00  0.00           H  
HETATM   77  H   UNL     1     -12.812  -2.150   0.306  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.163  -0.832  -1.622  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.356   0.751  -1.515  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.027  -1.958  -1.057  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.852  -0.950  -2.513  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.890   0.873  -1.134  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.334   0.431   1.242  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.141  -1.152   1.136  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.528  -1.804  -0.598  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.425  -0.907  -2.132  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.675   0.829  -0.035  1.00  0.00           H  
CONECT    1   12    2    2    3                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   42   43                                       
CONECT    4    3    5    5   11                                       
CONECT    5    4    4    6   44                                       
CONECT    6    5    7    7   45                                       
CONECT    7    6    6    8    9                                       
CONECT    8    7                                                      
CONECT    9    7   11   11   10                                       
CONECT   10    9                                                      
CONECT   11    4    9    9   46                                       
CONECT   12   13    1   47                                            
CONECT   13   14   16   12   48                                       
CONECT   14   21   13   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   49   50                                       
CONECT   17   16   18   51   52                                       
CONECT   18   17   19   53   54                                       
CONECT   19   18   20   55   56                                       
CONECT   20   19   57   58                                            
CONECT   21   14   22   59                                            
CONECT   22   23   21   25   60                                       
CONECT   23   41   22   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   22   26   61   62                                       
CONECT   26   25   27   63   64                                       
CONECT   27   26   28   65   66                                       
CONECT   28   27   29   67   68                                       
CONECT   29   28   69   70                                            
CONECT   30   31   39   71   72                                       
CONECT   31   30   32   36   73                                       
CONECT   32   31   33   74                                            
CONECT   33   32   35   35   34                                       
CONECT   34   33   75   76                                            
CONECT   35   33   33   77                                            
CONECT   36   31   37   78   79                                       
CONECT   37   36   38   80   81                                       
CONECT   38   37   39   40   82                                       
CONECT   39   30   38   83   84                                       
CONECT   40   38   41   85   86                                       
CONECT   41   23   40   87                                            
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   40                                                      
CONECT   87   41                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
