COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.640   2.572  -0.323  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.966   1.606   0.740  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.288   1.998   2.055  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.571   0.210   0.331  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.499   1.725   0.862  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.891   2.195   2.263  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.158   0.407   0.544  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.855   2.738  -0.141  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.805   3.154  -0.745  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.848   4.199  -1.830  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.620  -0.820   1.252  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.258  -2.100   0.878  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.846  -2.351  -0.419  1.00  0.00           C  
HETATM   14 CL   UNL     1      -0.392  -3.958  -0.891  1.00  0.00          Cl  
HETATM   15  C   UNL     1      -0.798  -1.320  -1.340  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.165  -0.041  -0.966  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.506  -0.455   1.566  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.111  -1.664   1.276  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.367  -2.010  -0.039  1.00  0.00           C  
HETATM   20 CL   UNL     1      -6.128  -3.527  -0.405  1.00  0.00          Cl  
HETATM   21  C   UNL     1      -5.019  -1.146  -1.062  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.419   0.064  -0.770  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.406   2.840  -0.794  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.271   3.533  -1.784  1.00  0.00           O  
HETATM   25  N   UNL     1       0.678   2.341  -0.169  1.00  0.00           N  
HETATM   26  C   UNL     1       0.536   1.411   0.962  1.00  0.00           C  
HETATM   27  C   UNL     1       1.407   0.179   0.692  1.00  0.00           C  
HETATM   28  N   UNL     1       2.783   0.609   0.411  1.00  0.00           N  
HETATM   29  C   UNL     1       2.847   1.429  -0.807  1.00  0.00           C  
HETATM   30  C   UNL     1       2.035   2.707  -0.602  1.00  0.00           C  
HETATM   31  C   UNL     1       5.135  -0.058   0.272  1.00  0.00           C  
HETATM   32  C   UNL     1       6.076  -1.261   0.174  1.00  0.00           C  
HETATM   33  S   UNL     1       7.794  -0.682   0.122  1.00  0.00           S  
HETATM   34  C   UNL     1       8.712  -2.243   0.008  1.00  0.00           C  
HETATM   35  O   UNL     1       7.990   0.047  -1.082  1.00  0.00           O  
HETATM   36  O   UNL     1       8.102  -0.066   1.365  1.00  0.00           O  
HETATM   37  C   UNL     1       3.686  -0.546   0.316  1.00  0.00           C  
HETATM   38  H   UNL     1      -0.743   1.141   2.452  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.592   2.818   1.874  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.043   2.314   2.773  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.444   3.170   2.457  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.976   2.274   2.330  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.533   1.478   3.001  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.875   3.711  -2.804  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.739   4.814  -1.707  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.960   4.828  -1.764  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.941  -0.624   2.265  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.295  -2.904   1.597  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.477  -1.515  -2.353  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.127   0.764  -1.685  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.306  -0.185   2.593  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.383  -2.338   2.075  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.219  -1.416  -2.088  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.147   0.738  -1.568  1.00  0.00           H  
HETATM   55  H   UNL     1       0.865   1.898   1.880  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.507   1.109   1.058  1.00  0.00           H  
HETATM   57  H   UNL     1       1.400  -0.470   1.568  1.00  0.00           H  
HETATM   58  H   UNL     1       1.012  -0.364  -0.167  1.00  0.00           H  
HETATM   59  H   UNL     1       3.885   1.685  -1.018  1.00  0.00           H  
HETATM   60  H   UNL     1       2.433   0.868  -1.645  1.00  0.00           H  
HETATM   61  H   UNL     1       1.983   3.260  -1.540  1.00  0.00           H  
HETATM   62  H   UNL     1       2.511   3.320   0.163  1.00  0.00           H  
HETATM   63  H   UNL     1       5.357   0.503   1.180  1.00  0.00           H  
HETATM   64  H   UNL     1       5.276   0.586  -0.596  1.00  0.00           H  
HETATM   65  H   UNL     1       5.935  -1.904   1.042  1.00  0.00           H  
HETATM   66  H   UNL     1       5.854  -1.822  -0.734  1.00  0.00           H  
HETATM   67  H   UNL     1       8.412  -2.775  -0.895  1.00  0.00           H  
HETATM   68  H   UNL     1       9.781  -2.034  -0.032  1.00  0.00           H  
HETATM   69  H   UNL     1       8.493  -2.858   0.881  1.00  0.00           H  
HETATM   70  H   UNL     1       3.545  -1.189   1.184  1.00  0.00           H  
HETATM   71  H   UNL     1       3.464  -1.107  -0.592  1.00  0.00           H  
CONECT    1    2   23    9                                            
CONECT    2    4    3    5    1                                       
CONECT    3    2   38   39   40                                       
CONECT    4   16   16   11    2                                       
CONECT    5    2    7    6    8                                       
CONECT    6    5   41   42   43                                       
CONECT    7   17   17   22    5                                       
CONECT    8    5    9    9                                            
CONECT    9    1    8    8   10                                       
CONECT   10    9   44   45   46                                       
CONECT   11   12   12    4   47                                       
CONECT   12   13   11   11   48                                       
CONECT   13   14   15   15   12                                       
CONECT   14   13                                                      
CONECT   15   13   13   16   49                                       
CONECT   16   15    4    4   50                                       
CONECT   17   18    7    7   51                                       
CONECT   18   19   19   17   52                                       
CONECT   19   20   18   18   21                                       
CONECT   20   19                                                      
CONECT   21   19   22   22   53                                       
CONECT   22   21   21    7   54                                       
CONECT   23   24   24    1   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   30                                            
CONECT   26   25   27   55   56                                       
CONECT   27   26   28   57   58                                       
CONECT   28   27   29   37                                            
CONECT   29   30   28   59   60                                       
CONECT   30   25   29   61   62                                       
CONECT   31   37   32   63   64                                       
CONECT   32   31   33   65   66                                       
CONECT   33   32   36   36   35                                       
CONECT   33   35   34                                                 
CONECT   34   33   67   68   69                                       
CONECT   35   33   33                                                 
CONECT   36   33   33                                                 
CONECT   37   28   31   70   71                                       
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   26                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   37                                                      
CONECT   71   37                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
