COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.203   0.844  -2.651  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.500   0.834  -2.234  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.759   0.668  -0.858  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.072   0.649  -0.363  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.288   0.487   0.972  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.219   0.339   1.856  1.00  0.00           C  
HETATM    7 CL   UNL     1      -8.535   0.134   3.551  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -6.932   0.351   1.410  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.671   0.517   0.038  1.00  0.00           C  
HETATM   10  N   UNL     1      -5.418   0.534  -0.424  1.00  0.00           N  
HETATM   11  C   UNL     1      -5.165   0.689  -1.713  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.768   0.701  -2.177  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.766   0.555  -1.294  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.368   0.566  -1.758  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.323   0.414  -0.842  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.080   0.723  -3.116  1.00  0.00           C  
HETATM   17  C   UNL     1       0.231   0.732  -3.543  1.00  0.00           C  
HETATM   18  C   UNL     1       1.261   0.586  -2.630  1.00  0.00           C  
HETATM   19  C   UNL     1       0.984   0.426  -1.284  1.00  0.00           C  
HETATM   20  C   UNL     1       2.112   0.263  -0.299  1.00  0.00           C  
HETATM   21  S   UNL     1       3.181   1.727  -0.356  1.00  0.00           S  
HETATM   22  C   UNL     1       4.257   1.503   1.087  1.00  0.00           C  
HETATM   23  C   UNL     1       5.147   2.736   1.256  1.00  0.00           C  
HETATM   24  C   UNL     1       4.803   3.706   2.389  1.00  0.00           C  
HETATM   25  C   UNL     1       6.033   2.803   2.502  1.00  0.00           C  
HETATM   26  C   UNL     1       5.703   3.331  -0.039  1.00  0.00           C  
HETATM   27  C   UNL     1       6.500   4.570   0.279  1.00  0.00           C  
HETATM   28  O   UNL     1       6.962   5.345  -0.715  1.00  0.00           O  
HETATM   29  O   UNL     1       6.723   4.867   1.429  1.00  0.00           O  
HETATM   30  C   UNL     1       2.929  -0.979  -0.660  1.00  0.00           C  
HETATM   31  C   UNL     1       2.071  -2.230  -0.461  1.00  0.00           C  
HETATM   32  C   UNL     1       2.914  -3.459  -0.684  1.00  0.00           C  
HETATM   33  C   UNL     1       3.266  -3.832  -1.968  1.00  0.00           C  
HETATM   34  C   UNL     1       4.039  -4.959  -2.172  1.00  0.00           C  
HETATM   35  C   UNL     1       4.462  -5.713  -1.093  1.00  0.00           C  
HETATM   36  C   UNL     1       4.111  -5.339   0.191  1.00  0.00           C  
HETATM   37  C   UNL     1       3.341  -4.209   0.396  1.00  0.00           C  
HETATM   38  C   UNL     1       2.963  -3.799   1.795  1.00  0.00           C  
HETATM   39  C   UNL     1       3.392  -2.350   2.035  1.00  0.00           C  
HETATM   40  C   UNL     1       1.447  -3.918   1.970  1.00  0.00           C  
HETATM   41  O   UNL     1       3.619  -4.652   2.736  1.00  0.00           O  
HETATM   42  H   UNL     1      -5.973   0.965  -3.699  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.309   0.951  -2.939  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.908   0.764  -1.037  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.299   0.474   1.351  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.116   0.235   2.108  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.549   0.827  -3.227  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.986   0.429  -0.244  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.538   0.289   0.209  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.883   0.836  -3.830  1.00  0.00           H  
HETATM   51  H   UNL     1       0.455   0.854  -4.593  1.00  0.00           H  
HETATM   52  H   UNL     1       2.286   0.594  -2.970  1.00  0.00           H  
HETATM   53  H   UNL     1       1.704   0.150   0.706  1.00  0.00           H  
HETATM   54  H   UNL     1       3.646   1.371   1.980  1.00  0.00           H  
HETATM   55  H   UNL     1       4.882   0.622   0.941  1.00  0.00           H  
HETATM   56  H   UNL     1       4.973   4.768   2.211  1.00  0.00           H  
HETATM   57  H   UNL     1       3.943   3.465   3.014  1.00  0.00           H  
HETATM   58  H   UNL     1       5.982   1.968   3.201  1.00  0.00           H  
HETATM   59  H   UNL     1       7.012   3.271   2.399  1.00  0.00           H  
HETATM   60  H   UNL     1       6.348   2.600  -0.527  1.00  0.00           H  
HETATM   61  H   UNL     1       4.879   3.590  -0.703  1.00  0.00           H  
HETATM   62  H   UNL     1       7.468   6.129  -0.462  1.00  0.00           H  
HETATM   63  H   UNL     1       3.244  -0.917  -1.701  1.00  0.00           H  
HETATM   64  H   UNL     1       3.808  -1.036  -0.017  1.00  0.00           H  
HETATM   65  H   UNL     1       1.674  -2.241   0.555  1.00  0.00           H  
HETATM   66  H   UNL     1       1.245  -2.221  -1.173  1.00  0.00           H  
HETATM   67  H   UNL     1       2.935  -3.244  -2.811  1.00  0.00           H  
HETATM   68  H   UNL     1       4.313  -5.251  -3.175  1.00  0.00           H  
HETATM   69  H   UNL     1       5.065  -6.594  -1.253  1.00  0.00           H  
HETATM   70  H   UNL     1       4.441  -5.928   1.034  1.00  0.00           H  
HETATM   71  H   UNL     1       2.826  -1.690   1.378  1.00  0.00           H  
HETATM   72  H   UNL     1       3.198  -2.081   3.074  1.00  0.00           H  
HETATM   73  H   UNL     1       4.456  -2.247   1.825  1.00  0.00           H  
HETATM   74  H   UNL     1       1.176  -4.968   2.082  1.00  0.00           H  
HETATM   75  H   UNL     1       1.140  -3.367   2.859  1.00  0.00           H  
HETATM   76  H   UNL     1       0.947  -3.504   1.094  1.00  0.00           H  
HETATM   77  H   UNL     1       4.584  -4.628   2.682  1.00  0.00           H  
CONECT    1    2   11   11   42                                       
CONECT    2    1    3    3   43                                       
CONECT    3    2    2    4    9                                       
CONECT    4    3    5    5   44                                       
CONECT    5    4    4    6   45                                       
CONECT    6    5    7    8    8                                       
CONECT    7    6                                                      
CONECT    8    6    6    9   46                                       
CONECT    9    3    8   10   10                                       
CONECT   10    9    9   11                                            
CONECT   11    1    1   10   12                                       
CONECT   12   11   13   13   47                                       
CONECT   13   12   12   14   48                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14   19   49                                       
CONECT   16   14   17   17   50                                       
CONECT   17   16   16   18   51                                       
CONECT   18   17   19   19   52                                       
CONECT   19   15   18   18   20                                       
CONECT   20   19   30   21   53                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   54   55                                       
CONECT   23   22   25   24   26                                       
CONECT   24   23   25   56   57                                       
CONECT   25   23   24   58   59                                       
CONECT   26   23   27   60   61                                       
CONECT   27   26   29   29   28                                       
CONECT   28   27   62                                                 
CONECT   29   27   27                                                 
CONECT   30   20   31   63   64                                       
CONECT   31   30   32   65   66                                       
CONECT   32   31   37   37   33                                       
CONECT   33   32   34   34   67                                       
CONECT   34   33   33   35   68                                       
CONECT   35   34   36   36   69                                       
CONECT   36   35   35   37   70                                       
CONECT   37   32   32   36   38                                       
CONECT   38   37   41   39   40                                       
CONECT   39   38   71   72   73                                       
CONECT   40   38   74   75   76                                       
CONECT   41   38   77                                                 
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    8                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   20                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   28                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   39                                                      
CONECT   72   39                                                      
CONECT   73   39                                                      
CONECT   74   40                                                      
CONECT   75   40                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
