COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -8.023   2.111   0.133  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -6.321   1.779   0.045  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.362   2.706  -0.071  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.076   2.215  -0.123  1.00  0.00           C  
HETATM    5  S   UNL     1      -5.601   0.176   0.102  1.00  0.00           S  
HETATM    6  C   UNL     1      -3.987   0.858  -0.048  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.737   0.086  -0.079  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.608  -1.279   0.001  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.488   0.572  -0.198  1.00  0.00           O  
HETATM   10  N   UNL     1      -0.667  -0.315  -0.193  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.219  -1.491  -0.076  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.507  -2.819  -0.032  1.00  0.00           C  
HETATM   13  N   UNL     1       0.412  -2.872   1.129  1.00  0.00           N  
HETATM   14  C   UNL     1       1.426  -3.902   0.759  1.00  0.00           C  
HETATM   15  C   UNL     1       0.721  -5.253   0.989  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.418  -4.956   1.985  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.299  -3.450   2.295  1.00  0.00           C  
HETATM   18  C   UNL     1       1.664  -3.707  -0.750  1.00  0.00           C  
HETATM   19  C   UNL     1       0.396  -2.982  -1.271  1.00  0.00           C  
HETATM   20  C   UNL     1       0.916  -1.627  -1.696  1.00  0.00           C  
HETATM   21  O   UNL     1       0.243  -0.732  -2.160  1.00  0.00           O  
HETATM   22  C   UNL     1       2.759  -2.684  -0.953  1.00  0.00           C  
HETATM   23  O   UNL     1       3.930  -2.847  -0.683  1.00  0.00           O  
HETATM   24  N   UNL     1       2.235  -1.571  -1.479  1.00  0.00           N  
HETATM   25  C   UNL     1       3.039  -0.387  -1.793  1.00  0.00           C  
HETATM   26  C   UNL     1       3.080   0.539  -0.576  1.00  0.00           C  
HETATM   27  C   UNL     1       3.921   1.775  -0.903  1.00  0.00           C  
HETATM   28  N   UNL     1       3.855   2.722   0.217  1.00  0.00           N1+
HETATM   29  C   UNL     1       4.284   2.056   1.455  1.00  0.00           C  
HETATM   30  C   UNL     1       5.661   1.423   1.242  1.00  0.00           C  
HETATM   31  O   UNL     1       6.630   2.450   1.029  1.00  0.00           O  
HETATM   32  C   UNL     1       2.470   3.213   0.374  1.00  0.00           C  
HETATM   33  C   UNL     1       2.620   4.695   0.798  1.00  0.00           C  
HETATM   34  C   UNL     1       3.847   5.138  -0.042  1.00  0.00           C  
HETATM   35  C   UNL     1       4.733   3.875  -0.056  1.00  0.00           C  
HETATM   36  H   UNL     1      -5.581   3.762  -0.120  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.210   2.854  -0.216  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.390  -2.017   0.101  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.229  -3.634   0.019  1.00  0.00           H  
HETATM   40  H   UNL     1       2.339  -3.812   1.348  1.00  0.00           H  
HETATM   41  H   UNL     1       0.280  -3.295   3.205  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.289  -3.004   2.394  1.00  0.00           H  
HETATM   43  H   UNL     1       1.866  -4.646  -1.266  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.097  -3.523  -2.079  1.00  0.00           H  
HETATM   45  H   UNL     1       0.313  -5.630   0.051  1.00  0.00           H  
HETATM   46  H   UNL     1       1.417  -5.975   1.416  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.384  -5.174   1.530  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.287  -5.543   2.894  1.00  0.00           H  
HETATM   49  H   UNL     1       4.053  -0.695  -2.050  1.00  0.00           H  
HETATM   50  H   UNL     1       2.595   0.141  -2.637  1.00  0.00           H  
HETATM   51  H   UNL     1       2.066   0.846  -0.319  1.00  0.00           H  
HETATM   52  H   UNL     1       3.524   0.011   0.268  1.00  0.00           H  
HETATM   53  H   UNL     1       4.956   1.477  -1.068  1.00  0.00           H  
HETATM   54  H   UNL     1       3.532   2.250  -1.804  1.00  0.00           H  
HETATM   55  H   UNL     1       4.342   2.789   2.260  1.00  0.00           H  
HETATM   56  H   UNL     1       3.565   1.282   1.719  1.00  0.00           H  
HETATM   57  H   UNL     1       1.932   3.141  -0.571  1.00  0.00           H  
HETATM   58  H   UNL     1       1.952   2.647   1.150  1.00  0.00           H  
HETATM   59  H   UNL     1       5.498   3.950   0.717  1.00  0.00           H  
HETATM   60  H   UNL     1       5.201   3.761  -1.033  1.00  0.00           H  
HETATM   61  H   UNL     1       5.933   0.842   2.123  1.00  0.00           H  
HETATM   62  H   UNL     1       5.628   0.768   0.371  1.00  0.00           H  
HETATM   63  H   UNL     1       7.513   2.119   0.812  1.00  0.00           H  
HETATM   64  H   UNL     1       1.734   5.270   0.529  1.00  0.00           H  
HETATM   65  H   UNL     1       2.827   4.777   1.865  1.00  0.00           H  
HETATM   66  H   UNL     1       3.544   5.407  -1.054  1.00  0.00           H  
HETATM   67  H   UNL     1       4.363   5.969   0.438  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    5    1    3    3                                       
CONECT    3    4    2    2   36                                       
CONECT    4    6    6    3   37                                       
CONECT    5    6    2                                                 
CONECT    6    5    7    4    4                                       
CONECT    7    9    8    8    6                                       
CONECT    8   11    7    7   38                                       
CONECT    9   10    7                                                 
CONECT   10   11   11    9                                            
CONECT   11   12   10   10    8                                       
CONECT   12   19   13   11   39                                       
CONECT   13   12   14   17                                            
CONECT   14   13   18   15   40                                       
CONECT   15   14   16   45   46                                       
CONECT   16   17   15   47   48                                       
CONECT   17   13   16   41   42                                       
CONECT   18   19   14   22   43                                       
CONECT   19   12   18   20   44                                       
CONECT   20   19   24   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   18   24   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   20   22   25                                            
CONECT   25   24   26   49   50                                       
CONECT   26   25   27   51   52                                       
CONECT   27   26   28   53   54                                       
CONECT   28   27   35   32   29                                       
CONECT   29   28   30   55   56                                       
CONECT   30   29   31   61   62                                       
CONECT   31   30   63                                                 
CONECT   32   28   33   57   58                                       
CONECT   33   32   34   64   65                                       
CONECT   34   35   33   66   67                                       
CONECT   35   28   34   59   60                                       
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    8                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   29                                                      
CONECT   56   29                                                      
CONECT   57   32                                                      
CONECT   58   32                                                      
CONECT   59   35                                                      
CONECT   60   35                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
