COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.517   3.019  -1.448  1.00  0.00           C  
HETATM    2  C   UNL     1       4.328   2.314  -1.357  1.00  0.00           C  
HETATM    3  C   UNL     1       5.938   3.808  -0.382  1.00  0.00           C  
HETATM    4  C   UNL     1       5.163   3.889   0.764  1.00  0.00           C  
HETATM    5  C   UNL     1       3.975   3.187   0.847  1.00  0.00           C  
HETATM    6  C   UNL     1       3.562   2.394  -0.209  1.00  0.00           C  
HETATM    7  C   UNL     1       2.270   1.626  -0.112  1.00  0.00           C  
HETATM    8  C   UNL     1       2.543   0.240   0.475  1.00  0.00           C  
HETATM    9  C   UNL     1       1.220  -0.509   0.650  1.00  0.00           C  
HETATM   10  C   UNL     1       1.497  -1.914   1.120  1.00  0.00           C  
HETATM   11  C   UNL     1       1.579  -2.945   0.204  1.00  0.00           C  
HETATM   12  C   UNL     1       1.675  -2.169   2.467  1.00  0.00           C  
HETATM   13  C   UNL     1       1.929  -3.457   2.902  1.00  0.00           C  
HETATM   14  C   UNL     1       2.006  -4.492   1.990  1.00  0.00           C  
HETATM   15  C   UNL     1       1.834  -4.238   0.637  1.00  0.00           C  
HETATM   16  O   UNL     1       0.402   0.178   1.634  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.928   0.034   1.527  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.396  -0.604   0.614  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.839   0.669   2.547  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.809  -0.383   3.093  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.820   0.295   4.022  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.624   1.332   3.234  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.673   2.403   2.689  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.614   1.744   1.913  1.00  0.00           N  
HETATM   25  S   UNL     1      -2.299   2.205   0.354  1.00  0.00           S  
HETATM   26  O   UNL     1      -2.584   3.595   0.281  1.00  0.00           O  
HETATM   27  O   UNL     1      -1.033   1.652   0.020  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.481   1.400  -0.676  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.687   2.016  -0.955  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.615   1.384  -1.763  1.00  0.00           C  
HETATM   31 CL   UNL     1      -7.130   2.157  -2.113  1.00  0.00          Cl  
HETATM   32  C   UNL     1      -5.337   0.137  -2.293  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.129  -0.478  -2.014  1.00  0.00           C  
HETATM   34 CL   UNL     1      -3.778  -2.043  -2.679  1.00  0.00          Cl  
HETATM   35  C   UNL     1      -3.199   0.157  -1.210  1.00  0.00           C  
HETATM   36  H   UNL     1       3.999   1.701  -2.183  1.00  0.00           H  
HETATM   37  H   UNL     1       3.372   3.250   1.740  1.00  0.00           H  
HETATM   38  H   UNL     1       1.575   2.164   0.535  1.00  0.00           H  
HETATM   39  H   UNL     1       1.834   1.521  -1.105  1.00  0.00           H  
HETATM   40  H   UNL     1       3.190  -0.319  -0.201  1.00  0.00           H  
HETATM   41  H   UNL     1       3.033   0.345   1.443  1.00  0.00           H  
HETATM   42  H   UNL     1       0.692  -0.542  -0.302  1.00  0.00           H  
HETATM   43  H   UNL     1       1.444  -2.744  -0.849  1.00  0.00           H  
HETATM   44  H   UNL     1       1.615  -1.361   3.182  1.00  0.00           H  
HETATM   45  H   UNL     1       2.068  -3.654   3.955  1.00  0.00           H  
HETATM   46  H   UNL     1       2.205  -5.498   2.330  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.244   1.077   3.364  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.337  -0.856   2.265  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.253  -1.137   3.650  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.496  -0.454   4.432  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.289   0.790   4.836  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.134   0.842   2.405  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.359   1.797   3.890  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.225   3.088   2.045  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.232   2.956   3.518  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.904   2.989  -0.541  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.061  -0.356  -2.924  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.257  -0.323  -0.992  1.00  0.00           H  
HETATM   59  O   UNL     1       1.909  -5.254  -0.262  1.00  0.00           O  
HETATM   60  C   UNL     1       2.168  -6.561   0.257  1.00  0.00           C  
HETATM   61  H   UNL     1       3.125  -6.561   0.780  1.00  0.00           H  
HETATM   62  H   UNL     1       1.375  -6.840   0.950  1.00  0.00           H  
HETATM   63  C   UNL     1       2.217  -7.551  -0.878  1.00  0.00           C  
HETATM   64  O   UNL     1       2.448  -8.849  -0.627  1.00  0.00           O  
HETATM   65  H   UNL     1       2.470  -9.446  -1.387  1.00  0.00           H  
HETATM   66  O   UNL     1       2.046  -7.176  -2.014  1.00  0.00           O  
HETATM   67  O   UNL     1       7.107   4.498  -0.464  1.00  0.00           O  
HETATM   68  C   UNL     1       7.475   5.287   0.669  1.00  0.00           C  
HETATM   69  H   UNL     1       6.706   6.036   0.856  1.00  0.00           H  
HETATM   70  H   UNL     1       7.576   4.644   1.543  1.00  0.00           H  
HETATM   71  H   UNL     1       8.426   5.784   0.472  1.00  0.00           H  
HETATM   72  O   UNL     1       6.274   2.936  -2.575  1.00  0.00           O  
HETATM   73  C   UNL     1       5.780   2.108  -3.629  1.00  0.00           C  
HETATM   74  H   UNL     1       5.487   4.500   1.594  1.00  0.00           H  
HETATM   75  H   UNL     1       5.678   1.084  -3.268  1.00  0.00           H  
HETATM   76  H   UNL     1       4.808   2.476  -3.955  1.00  0.00           H  
HETATM   77  H   UNL     1       6.478   2.130  -4.466  1.00  0.00           H  
CONECT    1    2    3    3   72                                       
CONECT    2    6    6    1   36                                       
CONECT    3    1    1    4   67                                       
CONECT    4    5    5    3   74                                       
CONECT    5    6    4    4   37                                       
CONECT    6    7    2    2    5                                       
CONECT    7    6    8   38   39                                       
CONECT    8    7    9   40   41                                       
CONECT    9   10    8   16   42                                       
CONECT   10   12   12   11    9                                       
CONECT   11   15   15   10   43                                       
CONECT   12   13   10   10   44                                       
CONECT   13   14   14   12   45                                       
CONECT   14   13   13   15   46                                       
CONECT   15   14   11   11   59                                       
CONECT   16    9   17                                                 
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   24   20   47                                       
CONECT   20   19   21   48   49                                       
CONECT   21   22   20   50   51                                       
CONECT   22   23   21   52   53                                       
CONECT   23   24   22   54   55                                       
CONECT   24   25   23   19                                            
CONECT   25   26   26   24   27                                       
CONECT   25   27   28                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   29   29   35   25                                       
CONECT   29   30   28   28   56                                       
CONECT   30   31   32   32   29                                       
CONECT   31   30                                                      
CONECT   32   30   30   33   57                                       
CONECT   33   32   34   35   35                                       
CONECT   34   33                                                      
CONECT   35   33   33   28   58                                       
CONECT   36    2                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   29                                                      
CONECT   57   32                                                      
CONECT   58   35                                                      
CONECT   59   15   60                                                 
CONECT   60   59   61   62   63                                       
CONECT   61   60                                                      
CONECT   62   60                                                      
CONECT   63   60   64   66   66                                       
CONECT   64   63   65                                                 
CONECT   65   64                                                      
CONECT   66   63   63                                                 
CONECT   67    3   68                                                 
CONECT   68   67   69   70   71                                       
CONECT   69   68                                                      
CONECT   70   68                                                      
CONECT   71   68                                                      
CONECT   72    1   73                                                 
CONECT   73   72   75   76   77                                       
CONECT   74    4                                                      
CONECT   75   73                                                      
CONECT   76   73                                                      
CONECT   77   73                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
