COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.563   0.618   0.334  1.00  0.00           C  
HETATM    2  S   UNL     1      -4.218   0.704  -0.880  1.00  0.00           S  
HETATM    3  C   UNL     1      -6.848   0.253  -0.364  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.203  -1.075  -0.507  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.382  -1.410  -1.147  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.205  -0.417  -1.644  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.849   0.912  -1.501  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.670   1.246  -0.861  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.922  -0.589  -1.389  1.00  0.00           O  
HETATM   10  O   UNL     1      -4.405   1.809  -1.754  1.00  0.00           O  
HETATM   11  N   UNL     1      -2.882   1.109   0.010  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.365   0.181   1.019  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.939   0.546   2.390  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.457  -0.467   3.430  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.465   1.947   2.784  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.862   0.272   1.063  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.311   1.324   0.816  1.00  0.00           O  
HETATM   18  N   UNL     1      -0.129  -0.814   1.377  1.00  0.00           N  
HETATM   19  C   UNL     1       1.329  -0.841   1.561  1.00  0.00           C  
HETATM   20  C   UNL     1       2.014  -0.392   0.296  1.00  0.00           C  
HETATM   21  O   UNL     1       1.354  -0.078  -0.672  1.00  0.00           O  
HETATM   22  C   UNL     1       1.724  -2.297   1.883  1.00  0.00           C  
HETATM   23  C   UNL     1       0.538  -3.115   1.305  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.658  -2.172   1.599  1.00  0.00           C  
HETATM   25  N   UNL     1       3.359  -0.339   0.240  1.00  0.00           N  
HETATM   26  C   UNL     1       4.025   0.097  -0.990  1.00  0.00           C  
HETATM   27  C   UNL     1       5.518   0.067  -0.791  1.00  0.00           C  
HETATM   28  C   UNL     1       6.204  -1.130  -0.885  1.00  0.00           C  
HETATM   29  C   UNL     1       5.457  -2.403  -1.188  1.00  0.00           C  
HETATM   30  N   UNL     1       5.190  -2.484  -2.630  1.00  0.00           N  
HETATM   31  C   UNL     1       7.574  -1.158  -0.702  1.00  0.00           C  
HETATM   32  C   UNL     1       8.259   0.009  -0.425  1.00  0.00           C  
HETATM   33  C   UNL     1       7.574   1.207  -0.330  1.00  0.00           C  
HETATM   34 CL   UNL     1       8.433   2.675   0.019  1.00  0.00          Cl  
HETATM   35  C   UNL     1       6.203   1.237  -0.519  1.00  0.00           C  
HETATM   36  H   UNL     1      -5.676   1.587   0.820  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.328  -0.138   1.083  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.560  -1.851  -0.120  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.660  -2.447  -1.258  1.00  0.00           H  
HETATM   40  H   UNL     1     -10.128  -0.678  -2.140  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.492   1.688  -1.889  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.392   2.284  -0.750  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.441   1.961  -0.136  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.660  -0.837   0.761  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.028   0.530   2.344  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.367  -0.482   3.445  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.830  -0.182   4.414  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.831  -1.458   3.173  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.809   2.668   2.042  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.874   2.207   3.760  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.376   1.963   2.829  1.00  0.00           H  
HETATM   52  H   UNL     1       1.610  -0.189   2.388  1.00  0.00           H  
HETATM   53  H   UNL     1       2.656  -2.564   1.384  1.00  0.00           H  
HETATM   54  H   UNL     1       1.806  -2.446   2.960  1.00  0.00           H  
HETATM   55  H   UNL     1       0.660  -3.275   0.234  1.00  0.00           H  
HETATM   56  H   UNL     1       0.425  -4.063   1.830  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.990  -2.287   2.631  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.479  -2.377   0.911  1.00  0.00           H  
HETATM   59  H   UNL     1       3.887  -0.590   1.014  1.00  0.00           H  
HETATM   60  H   UNL     1       3.753  -0.571  -1.807  1.00  0.00           H  
HETATM   61  H   UNL     1       3.711   1.113  -1.232  1.00  0.00           H  
HETATM   62  H   UNL     1       6.059  -3.259  -0.881  1.00  0.00           H  
HETATM   63  H   UNL     1       4.513  -2.409  -0.643  1.00  0.00           H  
HETATM   64  H   UNL     1       6.046  -2.415  -3.160  1.00  0.00           H  
HETATM   65  H   UNL     1       4.690  -3.330  -2.858  1.00  0.00           H  
HETATM   66  H   UNL     1       8.109  -2.094  -0.776  1.00  0.00           H  
HETATM   67  H   UNL     1       9.329  -0.014  -0.281  1.00  0.00           H  
HETATM   68  H   UNL     1       5.668   2.172  -0.450  1.00  0.00           H  
CONECT    1    3    2   36   37                                       
CONECT    2    1   11    9    9                                       
CONECT    2   10   10                                                 
CONECT    3    4    1    8    8                                       
CONECT    4    3    5    5   38                                       
CONECT    5    6    4    4   39                                       
CONECT    6    7    7    5   40                                       
CONECT    7    6    6    8   41                                       
CONECT    8    7    3    3   42                                       
CONECT    9    2    2                                                 
CONECT   10    2    2                                                 
CONECT   11    2   12   43                                            
CONECT   12   11   16   13   44                                       
CONECT   13   12   14   15   45                                       
CONECT   14   13   46   47   48                                       
CONECT   15   13   49   50   51                                       
CONECT   16   12   18   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   24                                            
CONECT   19   18   22   20   52                                       
CONECT   20   19   25   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   53   54                                       
CONECT   23   22   24   55   56                                       
CONECT   24   18   23   57   58                                       
CONECT   25   20   26   59                                            
CONECT   26   25   27   60   61                                       
CONECT   27   26   28   28   35                                       
CONECT   28   27   27   31   29                                       
CONECT   29   28   30   62   63                                       
CONECT   30   29   64   65                                            
CONECT   31   28   32   32   66                                       
CONECT   32   31   31   33   67                                       
CONECT   33   34   32   35   35                                       
CONECT   34   33                                                      
CONECT   35   27   33   33   68                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   19                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   35                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
