COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.872  -0.512   0.382  1.00  0.00           C  
HETATM    2  O   UNL     1      -6.742  -1.329   1.269  1.00  0.00           O  
HETATM    3  C   UNL     1      -8.246  -0.022   0.004  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.292  -0.707   0.885  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.666  -0.217   0.506  1.00  0.00           C  
HETATM    6  O   UNL     1     -10.795   0.597  -0.377  1.00  0.00           O  
HETATM    7  O   UNL     1     -11.747  -0.685   1.151  1.00  0.00           O  
HETATM    8  N   UNL     1      -5.786  -0.038  -0.262  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.451  -0.514   0.106  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.427   0.529  -0.260  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.778   1.568  -0.778  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.148  -1.812  -0.645  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.121   0.308  -0.013  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.125   1.322  -0.370  1.00  0.00           C  
HETATM   15  C   UNL     1       0.212   0.660  -0.581  1.00  0.00           C  
HETATM   16  O   UNL     1       0.461  -0.393  -0.033  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.015   2.347   0.761  1.00  0.00           C  
HETATM   18  N   UNL     1       1.132   1.239  -1.378  1.00  0.00           N  
HETATM   19  C   UNL     1       2.432   0.660  -1.747  1.00  0.00           C  
HETATM   20  C   UNL     1       3.250   0.407  -0.507  1.00  0.00           C  
HETATM   21  O   UNL     1       2.798   0.680   0.584  1.00  0.00           O  
HETATM   22  C   UNL     1       3.151   1.686  -2.649  1.00  0.00           C  
HETATM   23  C   UNL     1       2.455   3.023  -2.278  1.00  0.00           C  
HETATM   24  C   UNL     1       0.997   2.554  -2.031  1.00  0.00           C  
HETATM   25  C   UNL     1       6.023   0.908   0.985  1.00  0.00           C  
HETATM   26  O   UNL     1       6.798   0.667   2.161  1.00  0.00           O  
HETATM   27  C   UNL     1       5.280  -0.371   0.594  1.00  0.00           C  
HETATM   28  N   UNL     1       4.484  -0.124  -0.612  1.00  0.00           N  
HETATM   29  C   UNL     1       6.292  -1.484   0.318  1.00  0.00           C  
HETATM   30  C   UNL     1       5.560  -2.774   0.052  1.00  0.00           C  
HETATM   31  C   UNL     1       5.191  -3.107  -1.238  1.00  0.00           C  
HETATM   32  C   UNL     1       5.263  -3.628   1.098  1.00  0.00           C  
HETATM   33  C   UNL     1       4.520  -4.290  -1.482  1.00  0.00           C  
HETATM   34  C   UNL     1       4.591  -4.812   0.854  1.00  0.00           C  
HETATM   35  C   UNL     1       4.218  -5.142  -0.435  1.00  0.00           C  
HETATM   36  C   UNL     1       5.010   2.021   1.262  1.00  0.00           C  
HETATM   37 CL   UNL     1       5.886   3.565   1.579  1.00  0.00          Cl  
HETATM   38  H   UNL     1      -8.299   1.058   0.149  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.441  -0.258  -1.043  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.238  -1.786   0.740  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.097  -0.471   1.931  1.00  0.00           H  
HETATM   42  H   UNL     1     -12.607  -0.341   0.873  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.890   0.619  -0.968  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.413  -0.698   1.180  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.154  -2.166  -0.371  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.888  -2.567  -0.380  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.185  -1.628  -1.718  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.840  -0.523   0.401  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.431   1.824  -1.287  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.340   3.149   0.459  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.000   2.761   0.973  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.624   1.861   1.655  1.00  0.00           H  
HETATM   53  H   UNL     1       2.282  -0.273  -2.290  1.00  0.00           H  
HETATM   54  H   UNL     1       4.214   1.727  -2.415  1.00  0.00           H  
HETATM   55  H   UNL     1       2.995   1.450  -3.702  1.00  0.00           H  
HETATM   56  H   UNL     1       2.890   3.451  -1.375  1.00  0.00           H  
HETATM   57  H   UNL     1       2.502   3.730  -3.106  1.00  0.00           H  
HETATM   58  H   UNL     1       0.463   2.456  -2.976  1.00  0.00           H  
HETATM   59  H   UNL     1       0.481   3.253  -1.373  1.00  0.00           H  
HETATM   60  H   UNL     1       7.462  -0.028   2.059  1.00  0.00           H  
HETATM   61  H   UNL     1       4.621  -0.673   1.408  1.00  0.00           H  
HETATM   62  H   UNL     1       4.846  -0.343  -1.485  1.00  0.00           H  
HETATM   63  H   UNL     1       6.893  -1.221  -0.553  1.00  0.00           H  
HETATM   64  H   UNL     1       6.943  -1.607   1.184  1.00  0.00           H  
HETATM   65  H   UNL     1       5.427  -2.442  -2.056  1.00  0.00           H  
HETATM   66  H   UNL     1       5.555  -3.371   2.105  1.00  0.00           H  
HETATM   67  H   UNL     1       4.231  -4.549  -2.490  1.00  0.00           H  
HETATM   68  H   UNL     1       4.359  -5.479   1.671  1.00  0.00           H  
HETATM   69  H   UNL     1       3.693  -6.066  -0.626  1.00  0.00           H  
HETATM   70  H   UNL     1       6.681   1.210   0.171  1.00  0.00           H  
HETATM   71  H   UNL     1       4.360   2.144   0.396  1.00  0.00           H  
HETATM   72  H   UNL     1       4.409   1.758   2.132  1.00  0.00           H  
CONECT    1    8    3    2    2                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   38   39                                       
CONECT    4    3    5   40   41                                       
CONECT    5    4    7    6    6                                       
CONECT    6    5    5                                                 
CONECT    7    5   42                                                 
CONECT    8    9   43    1                                            
CONECT    9    8   10   12   44                                       
CONECT   10    9   11   11   13                                       
CONECT   11   10   10                                                 
CONECT   12    9   45   46   47                                       
CONECT   13   10   14   48                                            
CONECT   14   13   15   17   49                                       
CONECT   15   14   16   16   18                                       
CONECT   16   15   15                                                 
CONECT   17   14   50   51   52                                       
CONECT   18   15   19   24                                            
CONECT   19   18   20   22   53                                       
CONECT   20   19   21   21   28                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   54   55                                       
CONECT   23   22   24   56   57                                       
CONECT   24   18   23   58   59                                       
CONECT   25   27   26   36   70                                       
CONECT   26   25   60                                                 
CONECT   27   28   29   25   61                                       
CONECT   28   20   27   62                                            
CONECT   29   27   30   63   64                                       
CONECT   30   29   31   31   32                                       
CONECT   31   30   30   33   65                                       
CONECT   32   30   34   34   66                                       
CONECT   33   31   35   35   67                                       
CONECT   34   32   32   35   68                                       
CONECT   35   33   33   34   69                                       
CONECT   36   25   71   37   72                                       
CONECT   37   36                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   19                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   25                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
