COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.903  -0.887   0.614  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.422  -0.826   0.441  1.00  0.00           C  
HETATM    3  N   UNL     1      -8.821  -1.678  -0.687  1.00  0.00           N  
HETATM    4  C   UNL     1      -8.223  -1.210  -1.944  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.697  -1.282  -1.841  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.227  -0.409  -0.674  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.709  -0.525  -0.529  1.00  0.00           C  
HETATM    8  N   UNL     1      -4.253   0.356   0.550  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.242  -0.126   1.934  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.984  -0.918   2.180  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.878  -0.303   2.738  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.724  -1.030   2.963  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.675  -2.370   2.630  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.780  -2.985   2.071  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.937  -2.260   1.852  1.00  0.00           C  
HETATM   16  S   UNL     1      -3.751   1.896   0.206  1.00  0.00           S  
HETATM   17  O   UNL     1      -4.388   2.263  -1.010  1.00  0.00           O  
HETATM   18  O   UNL     1      -3.885   2.640   1.409  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.025   1.816  -0.141  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.590   1.533  -1.422  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.236   1.471  -1.694  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.107   2.043   0.867  1.00  0.00           C  
HETATM   23  C   UNL     1       0.247   1.980   0.595  1.00  0.00           C  
HETATM   24  C   UNL     1       0.682   1.691  -0.685  1.00  0.00           C  
HETATM   25  S   UNL     1       2.408   1.612  -1.032  1.00  0.00           S  
HETATM   26  O   UNL     1       2.560   1.973  -2.398  1.00  0.00           O  
HETATM   27  O   UNL     1       3.062   2.294   0.029  1.00  0.00           O  
HETATM   28  N   UNL     1       2.859   0.023  -0.915  1.00  0.00           N  
HETATM   29  C   UNL     1       2.879  -0.823  -2.111  1.00  0.00           C  
HETATM   30  C   UNL     1       2.043  -2.097  -1.872  1.00  0.00           C  
HETATM   31  C   UNL     1       2.828  -3.210  -2.609  1.00  0.00           C  
HETATM   32  C   UNL     1       4.303  -2.830  -2.331  1.00  0.00           C  
HETATM   33  C   UNL     1       4.316  -1.289  -2.403  1.00  0.00           C  
HETATM   34  C   UNL     1       3.237  -0.537   0.384  1.00  0.00           C  
HETATM   35  C   UNL     1       4.726  -0.400   0.576  1.00  0.00           C  
HETATM   36  C   UNL     1       5.560  -1.467   0.302  1.00  0.00           C  
HETATM   37  C   UNL     1       6.925  -1.342   0.477  1.00  0.00           C  
HETATM   38  C   UNL     1       7.457  -0.147   0.929  1.00  0.00           C  
HETATM   39 CL   UNL     1       9.171   0.012   1.150  1.00  0.00          Cl  
HETATM   40  C   UNL     1       6.622   0.921   1.204  1.00  0.00           C  
HETATM   41  C   UNL     1       5.257   0.796   1.022  1.00  0.00           C  
HETATM   42  H   UNL     1      -6.605  -0.243   1.442  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.601  -1.913   0.825  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.906  -1.179   1.351  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.725   0.202   0.244  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.826  -1.730  -0.763  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.562  -1.841  -2.765  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.526  -0.179  -2.129  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.392  -2.314  -1.670  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.253  -0.920  -2.768  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.498   0.630  -0.864  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.444  -1.555  -0.293  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.231  -0.231  -1.463  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.275   0.724   2.615  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.111  -0.762   2.104  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.917   0.744   2.998  1.00  0.00           H  
HETATM   57  H   UNL     1       0.140  -0.550   3.399  1.00  0.00           H  
HETATM   58  H   UNL     1       0.227  -2.938   2.805  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.741  -4.032   1.811  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.800  -2.740   1.416  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.308   1.360  -2.211  1.00  0.00           H  
HETATM   62  H   UNL     1       0.104   1.249  -2.695  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.447   2.269   1.867  1.00  0.00           H  
HETATM   64  H   UNL     1       0.965   2.158   1.382  1.00  0.00           H  
HETATM   65  H   UNL     1       2.485  -0.271  -2.965  1.00  0.00           H  
HETATM   66  H   UNL     1       1.979  -2.316  -0.807  1.00  0.00           H  
HETATM   67  H   UNL     1       1.046  -1.984  -2.298  1.00  0.00           H  
HETATM   68  H   UNL     1       2.595  -4.189  -2.189  1.00  0.00           H  
HETATM   69  H   UNL     1       2.618  -3.188  -3.678  1.00  0.00           H  
HETATM   70  H   UNL     1       4.604  -3.168  -1.339  1.00  0.00           H  
HETATM   71  H   UNL     1       4.957  -3.253  -3.094  1.00  0.00           H  
HETATM   72  H   UNL     1       4.620  -0.964  -3.398  1.00  0.00           H  
HETATM   73  H   UNL     1       4.999  -0.886  -1.655  1.00  0.00           H  
HETATM   74  H   UNL     1       2.717   0.001   1.177  1.00  0.00           H  
HETATM   75  H   UNL     1       2.963  -1.591   0.420  1.00  0.00           H  
HETATM   76  H   UNL     1       5.144  -2.400  -0.051  1.00  0.00           H  
HETATM   77  H   UNL     1       7.576  -2.176   0.263  1.00  0.00           H  
HETATM   78  H   UNL     1       7.036   1.854   1.557  1.00  0.00           H  
HETATM   79  H   UNL     1       4.606   1.632   1.232  1.00  0.00           H  
CONECT    1    6    2   42   43                                       
CONECT    2    3    1   44   45                                       
CONECT    3    4    2   46                                            
CONECT    4    5    3   47   48                                       
CONECT    5    4    6   49   50                                       
CONECT    6    5    7    1   51                                       
CONECT    7    8    6   52   53                                       
CONECT    8   16    9    7                                            
CONECT    9   10    8   54   55                                       
CONECT   10   15   15   11    9                                       
CONECT   11   12   12   10   56                                       
CONECT   12   13   11   11   57                                       
CONECT   13   14   14   12   58                                       
CONECT   14   13   13   15   59                                       
CONECT   15   14   10   10   60                                       
CONECT   16   17   17   18   18                                       
CONECT   16    8   19                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19   16   22   22   20                                       
CONECT   20   19   21   21   61                                       
CONECT   21   20   20   24   62                                       
CONECT   22   19   19   23   63                                       
CONECT   23   22   24   24   64                                       
CONECT   24   23   23   21   25                                       
CONECT   25   24   28   27   27                                       
CONECT   25   26   26                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   29   34   25                                            
CONECT   29   30   33   28   65                                       
CONECT   30   31   29   66   67                                       
CONECT   31   32   30   68   69                                       
CONECT   32   31   33   70   71                                       
CONECT   33   32   29   72   73                                       
CONECT   34   28   35   74   75                                       
CONECT   35   34   36   36   41                                       
CONECT   36   35   35   37   76                                       
CONECT   37   36   38   38   77                                       
CONECT   38   37   37   40   39                                       
CONECT   39   38                                                      
CONECT   40   41   41   38   78                                       
CONECT   41   35   40   40   79                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   40                                                      
CONECT   79   41                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
