COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.637  -4.315  -2.091  1.00  0.00           C  
HETATM    2  C   UNL     1       1.802  -4.998  -1.795  1.00  0.00           C  
HETATM    3  C   UNL     1       2.878  -4.324  -1.249  1.00  0.00           C  
HETATM    4  C   UNL     1       2.789  -2.966  -0.998  1.00  0.00           C  
HETATM    5  C   UNL     1       1.623  -2.284  -1.295  1.00  0.00           C  
HETATM    6  S   UNL     1       1.509  -0.554  -0.977  1.00  0.00           S  
HETATM    7  N   UNL     1       1.558  -0.354   0.666  1.00  0.00           N  
HETATM    8  C   UNL     1       0.345  -0.551   1.464  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.638   0.622   1.246  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.699   0.242   0.310  1.00  0.00           N  
HETATM   11  S   UNL     1      -2.653   1.408  -0.378  1.00  0.00           S  
HETATM   12  O   UNL     1      -3.948   0.840  -0.512  1.00  0.00           O  
HETATM   13  O   UNL     1      -2.401   2.608   0.341  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.054   1.673  -2.014  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.808   1.270  -3.099  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.339   1.479  -4.383  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.115   2.090  -4.581  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.359   2.493  -3.496  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.831   2.290  -2.212  1.00  0.00           C  
HETATM   20 CL   UNL     1       0.117   2.796  -0.848  1.00  0.00          Cl  
HETATM   21  C   UNL     1      -1.917  -1.169  -0.016  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.798  -1.797   1.032  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.240  -2.302   2.192  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.048  -2.879   3.154  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.414  -2.950   2.956  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.972  -2.444   1.797  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.165  -1.863   0.838  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.216   0.859   2.664  1.00  0.00           C  
HETATM   29  N   UNL     1      -0.046   0.628   3.550  1.00  0.00           N  
HETATM   30  C   UNL     1       0.682  -0.519   2.967  1.00  0.00           C  
HETATM   31  C   UNL     1       2.813   0.020   1.322  1.00  0.00           C  
HETATM   32  C   UNL     1       2.784   1.488   1.663  1.00  0.00           C  
HETATM   33  C   UNL     1       3.064   2.429   0.690  1.00  0.00           C  
HETATM   34  C   UNL     1       3.037   3.776   1.003  1.00  0.00           C  
HETATM   35  C   UNL     1       2.730   4.180   2.289  1.00  0.00           C  
HETATM   36  C   UNL     1       2.449   3.239   3.261  1.00  0.00           C  
HETATM   37  C   UNL     1       2.471   1.893   2.947  1.00  0.00           C  
HETATM   38  O   UNL     1       2.701   0.027  -1.487  1.00  0.00           O  
HETATM   39  O   UNL     1       0.210  -0.155  -1.391  1.00  0.00           O  
HETATM   40  C   UNL     1       0.549  -2.957  -1.846  1.00  0.00           C  
HETATM   41 CL   UNL     1       4.141  -2.120  -0.312  1.00  0.00          Cl  
HETATM   42  H   UNL     1      -0.204  -4.842  -2.518  1.00  0.00           H  
HETATM   43  H   UNL     1       1.871  -6.057  -1.990  1.00  0.00           H  
HETATM   44  H   UNL     1       3.788  -4.858  -1.018  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.129  -1.497   1.204  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.109   1.508   0.892  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.764   0.792  -2.945  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.928   1.163  -5.231  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.749   2.252  -5.584  1.00  0.00           H  
HETATM   50  H   UNL     1       0.597   2.970  -3.651  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.400  -1.246  -0.990  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.959  -1.688  -0.044  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.172  -2.247   2.346  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.612  -3.274   4.059  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.046  -3.401   3.707  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.040  -2.500   1.643  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.601  -1.465  -0.066  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.580   1.881   2.765  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.009   0.144   2.880  1.00  0.00           H  
HETATM   60  H   UNL     1       0.542   1.447   3.593  1.00  0.00           H  
HETATM   61  H   UNL     1       0.357  -1.445   3.440  1.00  0.00           H  
HETATM   62  H   UNL     1       1.755  -0.385   3.103  1.00  0.00           H  
HETATM   63  H   UNL     1       2.934  -0.562   2.235  1.00  0.00           H  
HETATM   64  H   UNL     1       3.648  -0.180   0.650  1.00  0.00           H  
HETATM   65  H   UNL     1       3.303   2.113  -0.314  1.00  0.00           H  
HETATM   66  H   UNL     1       3.257   4.511   0.243  1.00  0.00           H  
HETATM   67  H   UNL     1       2.710   5.232   2.533  1.00  0.00           H  
HETATM   68  H   UNL     1       2.210   3.555   4.266  1.00  0.00           H  
HETATM   69  H   UNL     1       2.248   1.158   3.706  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.361  -2.424  -2.078  1.00  0.00           H  
CONECT    1    2    2   40   42                                       
CONECT    2    3    1    1   43                                       
CONECT    3    4    4    2   44                                       
CONECT    4   41    3    3    5                                       
CONECT    5    4    6   40   40                                       
CONECT    6   38   38    7    5                                       
CONECT    6   39   39                                                 
CONECT    7    8    6   31                                            
CONECT    8    9   30    7   45                                       
CONECT    9   10    8   28   46                                       
CONECT   10   11   21    9                                            
CONECT   11   13   13   14   12                                       
CONECT   11   12   10                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   19   11   15   15                                       
CONECT   15   14   14   16   47                                       
CONECT   16   17   17   15   48                                       
CONECT   17   18   16   16   49                                       
CONECT   18   19   19   17   50                                       
CONECT   19   20   18   18   14                                       
CONECT   20   19                                                      
CONECT   21   22   10   51   52                                       
CONECT   22   23   21   27   27                                       
CONECT   23   24   24   22   53                                       
CONECT   24   23   23   25   54                                       
CONECT   25   24   26   26   55                                       
CONECT   26   25   25   27   56                                       
CONECT   27   22   22   26   57                                       
CONECT   28    9   29   58   59                                       
CONECT   29   28   30   60                                            
CONECT   30    8   29   61   62                                       
CONECT   31    7   32   63   64                                       
CONECT   32   33   31   37   37                                       
CONECT   33   34   34   32   65                                       
CONECT   34   33   33   35   66                                       
CONECT   35   34   36   36   67                                       
CONECT   36   35   35   37   68                                       
CONECT   37   32   32   36   69                                       
CONECT   38    6    6                                                 
CONECT   39    6    6                                                 
CONECT   40    5    5    1   70                                       
CONECT   41    4                                                      
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   40                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
