COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.102  -0.920  -1.006  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.171   0.607  -0.932  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.609   1.049  -1.003  1.00  0.00           C  
HETATM    4  O   UNL     1      -7.093   1.679  -0.092  1.00  0.00           O  
HETATM    5  O   UNL     1      -7.353   0.743  -2.077  1.00  0.00           O  
HETATM    6  C   UNL     1      -4.556   1.081   0.386  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.078   0.783   0.387  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.252  -1.573   1.268  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.539  -2.832   0.846  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.019  -3.685   1.802  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.365  -4.839   1.416  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.410  -3.136  -0.496  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.756  -4.291  -0.883  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.231  -5.142   0.072  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.111  -1.236   0.913  1.00  0.00           C  
HETATM   16  C   UNL     1       1.196  -0.874   0.678  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.832   0.946   0.166  1.00  0.00           C  
HETATM   18  C   UNL     1       0.498   1.306  -0.061  1.00  0.00           C  
HETATM   19  C   UNL     1       5.270   1.613  -0.519  1.00  0.00           C  
HETATM   20  C   UNL     1       7.447   0.007  -0.094  1.00  0.00           C  
HETATM   21  C   UNL     1       8.574  -0.806   0.119  1.00  0.00           C  
HETATM   22  C   UNL     1       9.818  -0.320  -0.147  1.00  0.00           C  
HETATM   23  C   UNL     1       9.995   0.975  -0.629  1.00  0.00           C  
HETATM   24  C   UNL     1       8.928   1.791  -0.848  1.00  0.00           C  
HETATM   25  C   UNL     1       6.501   2.136  -0.797  1.00  0.00           C  
HETATM   26  C   UNL     1       7.631   1.323  -0.584  1.00  0.00           C  
HETATM   27  N   UNL     1       6.214  -0.444   0.158  1.00  0.00           N  
HETATM   28  C   UNL     1       5.160   0.310  -0.039  1.00  0.00           C  
HETATM   29  C   UNL     1       3.793  -0.248   0.263  1.00  0.00           C  
HETATM   30  O   UNL     1       2.801   0.741  -0.024  1.00  0.00           O  
HETATM   31  C   UNL     1       1.504   0.396   0.195  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.140  -0.335   0.656  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.114   1.642   0.007  1.00  0.00           C  
HETATM   34  S   UNL     1      -2.348   3.290  -0.574  1.00  0.00           S  
HETATM   35  C   UNL     1      -2.128   4.286   0.926  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.421   5.754   0.610  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.091   3.795   2.009  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.688   4.148   1.423  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.393   1.210  -2.103  1.00  0.00           C  
HETATM   40  N   UNL     1      -2.511  -0.406   0.784  1.00  0.00           N  
HETATM   41 CL   UNL     1      -0.409  -6.592  -0.413  1.00  0.00          Cl  
HETATM   42  H   UNL     1      -5.538  -1.348  -0.103  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.658  -1.267  -1.877  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.062  -1.233  -1.091  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.271   1.048  -2.077  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.710   2.155   0.493  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.032   0.561   1.218  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.257  -1.566   0.845  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.315  -1.538   2.355  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.123  -3.448   2.851  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.958  -5.505   2.163  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.820  -2.472  -1.242  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.656  -4.529  -1.932  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.339  -2.224   1.287  1.00  0.00           H  
HETATM   55  H   UNL     1       1.991  -1.577   0.879  1.00  0.00           H  
HETATM   56  H   UNL     1       0.739   2.290  -0.435  1.00  0.00           H  
HETATM   57  H   UNL     1       4.383   2.212  -0.667  1.00  0.00           H  
HETATM   58  H   UNL     1       8.454  -1.812   0.493  1.00  0.00           H  
HETATM   59  H   UNL     1      10.680  -0.948   0.019  1.00  0.00           H  
HETATM   60  H   UNL     1      10.993   1.336  -0.832  1.00  0.00           H  
HETATM   61  H   UNL     1       9.078   2.794  -1.222  1.00  0.00           H  
HETATM   62  H   UNL     1       6.604   3.144  -1.171  1.00  0.00           H  
HETATM   63  H   UNL     1       3.616  -1.129  -0.354  1.00  0.00           H  
HETATM   64  H   UNL     1       3.737  -0.524   1.316  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.447   5.852   0.256  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.289   6.353   1.512  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.735   6.103  -0.161  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.825   2.778   2.298  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.023   4.449   2.879  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.110   3.809   1.623  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.002   4.498   0.652  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.556   4.747   2.325  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.479   3.102   1.648  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.831   0.872  -3.043  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.442   2.297  -2.050  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.352   0.890  -2.052  1.00  0.00           H  
CONECT    1    2   42   43   44                                       
CONECT    2    1    6   39    3                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3   45                                                 
CONECT    6    2    7   46   47                                       
CONECT    7    6   33   33   40                                       
CONECT    8    9   40   48   49                                       
CONECT    9    8   10   10   12                                       
CONECT   10    9    9   11   50                                       
CONECT   11   10   14   14   51                                       
CONECT   12    9   13   13   52                                       
CONECT   13   12   12   14   53                                       
CONECT   14   11   11   13   41                                       
CONECT   15   16   16   32   54                                       
CONECT   16   15   15   31   55                                       
CONECT   17   18   33   32   32                                       
CONECT   18   17   31   31   56                                       
CONECT   19   25   25   28   57                                       
CONECT   20   21   21   26   27                                       
CONECT   21   20   20   22   58                                       
CONECT   22   21   23   23   59                                       
CONECT   23   22   22   24   60                                       
CONECT   24   23   26   26   61                                       
CONECT   25   19   19   26   62                                       
CONECT   26   20   24   24   25                                       
CONECT   27   20   28   28                                            
CONECT   28   19   27   27   29                                       
CONECT   29   28   30   63   64                                       
CONECT   30   29   31                                                 
CONECT   31   16   18   18   30                                       
CONECT   32   15   17   17   40                                       
CONECT   33    7    7   17   34                                       
CONECT   34   33   35                                                 
CONECT   35   34   38   37   36                                       
CONECT   36   35   65   66   67                                       
CONECT   37   35   68   69   70                                       
CONECT   38   35   71   72   73                                       
CONECT   39    2   74   75   76                                       
CONECT   40    7    8   32                                            
CONECT   41   14                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
CONECT   76   39                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
