COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.348   0.745  -0.757  1.00  0.00           C  
HETATM    2  C   UNL     1       4.326   0.757  -1.736  1.00  0.00           C  
HETATM    3 CL   UNL     1       5.862   0.004  -1.439  1.00  0.00          Cl  
HETATM    4  C   UNL     1       4.079   1.370  -2.951  1.00  0.00           C  
HETATM    5  C   UNL     1       2.856   1.969  -3.188  1.00  0.00           C  
HETATM    6  C   UNL     1       1.880   1.956  -2.209  1.00  0.00           C  
HETATM    7  C   UNL     1       2.125   1.344  -0.994  1.00  0.00           C  
HETATM    8  C   UNL     1       1.058   1.325   0.069  1.00  0.00           C  
HETATM    9  O   UNL     1       0.300   2.539   0.011  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.612   2.680   1.103  1.00  0.00           C  
HETATM   11  C   UNL     1       0.173   2.943   2.390  1.00  0.00           C  
HETATM   12  C   UNL     1       0.879   4.270   2.285  1.00  0.00           C  
HETATM   13  O   UNL     1       0.767   4.937   1.284  1.00  0.00           O  
HETATM   14  O   UNL     1       1.634   4.711   3.304  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.420   1.422   1.259  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.430   1.455   1.929  1.00  0.00           O  
HETATM   17  N   UNL     1      -1.064   0.267   0.684  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.887  -0.922   0.922  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.918  -1.229   2.421  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.202  -2.494   2.897  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.731  -2.441   2.877  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.311  -0.664   0.425  1.00  0.00           C  
HETATM   23  S   UNL     1      -3.292  -0.446  -1.376  1.00  0.00           S  
HETATM   24  O   UNL     1      -2.568   0.737  -1.682  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.901  -1.673  -1.977  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.047  -0.160  -1.737  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.525   1.085  -0.987  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.230   0.050  -3.241  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.865  -1.372  -1.287  1.00  0.00           C  
HETATM   30  C   UNL     1       0.114   0.145  -0.173  1.00  0.00           C  
HETATM   31  C   UNL     1       0.831  -1.143   0.142  1.00  0.00           C  
HETATM   32  C   UNL     1       1.358  -1.907  -0.881  1.00  0.00           C  
HETATM   33  C   UNL     1       2.016  -3.089  -0.593  1.00  0.00           C  
HETATM   34  C   UNL     1       2.146  -3.505   0.719  1.00  0.00           C  
HETATM   35 CL   UNL     1       2.972  -4.988   1.082  1.00  0.00          Cl  
HETATM   36  C   UNL     1       1.617  -2.739   1.743  1.00  0.00           C  
HETATM   37  C   UNL     1       0.965  -1.556   1.454  1.00  0.00           C  
HETATM   38  H   UNL     1       3.539   0.262   0.190  1.00  0.00           H  
HETATM   39  H   UNL     1       4.842   1.381  -3.716  1.00  0.00           H  
HETATM   40  H   UNL     1       2.664   2.448  -4.136  1.00  0.00           H  
HETATM   41  H   UNL     1       0.924   2.424  -2.394  1.00  0.00           H  
HETATM   42  H   UNL     1       1.522   1.227   1.051  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.281   3.519   0.910  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.514   2.963   3.236  1.00  0.00           H  
HETATM   45  H   UNL     1       0.907   2.151   2.536  1.00  0.00           H  
HETATM   46  H   UNL     1       2.068   5.568   3.190  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.463  -1.771   0.386  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.897  -0.360   3.079  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.709  -3.108   2.144  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.710  -2.458   3.870  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.245  -2.371   3.835  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.244  -3.021   2.109  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.944  -1.513   0.682  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.702   0.238   0.896  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.942   1.949  -1.307  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.579   1.257  -1.204  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.394   0.936   0.085  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.890  -0.837  -3.776  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.285   0.222  -3.458  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.648   0.913  -3.562  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.734  -1.521  -0.215  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.919  -1.200  -1.504  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.524  -2.259  -1.822  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.199   0.140  -1.217  1.00  0.00           H  
HETATM   65  H   UNL     1       1.256  -1.582  -1.906  1.00  0.00           H  
HETATM   66  H   UNL     1       2.428  -3.686  -1.393  1.00  0.00           H  
HETATM   67  H   UNL     1       1.719  -3.064   2.768  1.00  0.00           H  
HETATM   68  H   UNL     1       0.553  -0.957   2.254  1.00  0.00           H  
CONECT    1    2    2    7   38                                       
CONECT    2    3    1    1    4                                       
CONECT    3    2                                                      
CONECT    4    2    5    5   39                                       
CONECT    5    4    4    6   40                                       
CONECT    6    7    7    5   41                                       
CONECT    7    1    8    6    6                                       
CONECT    8    7    9   30   42                                       
CONECT    9   10    8                                                 
CONECT   10   11    9   15   43                                       
CONECT   11   12   10   44   45                                       
CONECT   12   13   13   14   11                                       
CONECT   13   12   12                                                 
CONECT   14   12   46                                                 
CONECT   15   10   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   30   18                                            
CONECT   18   17   19   22   47                                       
CONECT   19   20   18   21   48                                       
CONECT   20   19   21   49   50                                       
CONECT   21   20   19   51   52                                       
CONECT   22   18   23   53   54                                       
CONECT   23   24   24   22   25                                       
CONECT   23   25   26                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   23   27   28   29                                       
CONECT   27   26   55   56   57                                       
CONECT   28   26   58   59   60                                       
CONECT   29   26   61   62   63                                       
CONECT   30    8   31   17   64                                       
CONECT   31   37   30   32   32                                       
CONECT   32   31   31   33   65                                       
CONECT   33   34   34   32   66                                       
CONECT   34   36   35   33   33                                       
CONECT   35   34                                                      
CONECT   36   37   37   34   67                                       
CONECT   37   36   36   31   68                                       
CONECT   38    1                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   14                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   36                                                      
CONECT   68   37                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
