COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.186  -0.993   0.755  1.00  0.00           O  
HETATM    2  S   UNL     1       4.830  -0.665   1.024  1.00  0.00           S  
HETATM    3  O   UNL     1       4.211  -0.890   2.283  1.00  0.00           O  
HETATM    4  C   UNL     1       4.657   1.055   0.685  1.00  0.00           C  
HETATM    5  C   UNL     1       3.642   1.778   1.284  1.00  0.00           C  
HETATM    6  C   UNL     1       3.504   3.127   1.020  1.00  0.00           C  
HETATM    7  C   UNL     1       4.385   3.756   0.152  1.00  0.00           C  
HETATM    8  C   UNL     1       5.403   3.028  -0.448  1.00  0.00           C  
HETATM    9  C   UNL     1       5.540   1.681  -0.176  1.00  0.00           C  
HETATM   10  O   UNL     1       4.248   5.082  -0.114  1.00  0.00           O  
HETATM   11  C   UNL     1       3.179   5.767   0.539  1.00  0.00           C  
HETATM   12  N   UNL     1       3.921  -1.480  -0.096  1.00  0.00           N  
HETATM   13  C   UNL     1       4.523  -1.892  -1.367  1.00  0.00           C  
HETATM   14  C   UNL     1       5.050  -3.323  -1.241  1.00  0.00           C  
HETATM   15  C   UNL     1       3.878  -4.281  -1.025  1.00  0.00           C  
HETATM   16  C   UNL     1       5.794  -3.706  -2.522  1.00  0.00           C  
HETATM   17  C   UNL     1       2.517  -1.788   0.184  1.00  0.00           C  
HETATM   18  C   UNL     1       1.627  -0.689  -0.402  1.00  0.00           C  
HETATM   19  O   UNL     1       1.739  -0.695  -1.826  1.00  0.00           O  
HETATM   20  C   UNL     1       0.172  -0.945  -0.003  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.312  -2.245  -0.648  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.702  -2.560  -0.158  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.662   0.169  -0.462  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.824   0.443   0.164  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.179  -0.234   1.110  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.591   1.466  -0.257  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.828   1.703   0.465  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.893   2.309  -0.474  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.189   3.705   0.144  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.020   4.013   0.931  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.622   2.782   1.551  1.00  0.00           C  
HETATM   32  O   UNL     1      -5.247   4.600  -0.986  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.187   4.177  -1.869  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.237   2.617  -1.837  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.876  -3.325   0.981  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.149  -3.616   1.432  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.254  -3.141   0.742  1.00  0.00           C  
HETATM   38  O   UNL     1      -5.507  -3.426   1.184  1.00  0.00           O  
HETATM   39  C   UNL     1      -5.613  -4.221   2.367  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.078  -2.373  -0.401  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.802  -2.080  -0.845  1.00  0.00           C  
HETATM   42 CL   UNL     1      -5.458  -1.777  -1.269  1.00  0.00          Cl  
HETATM   43  H   UNL     1       2.956   1.288   1.959  1.00  0.00           H  
HETATM   44  H   UNL     1       2.711   3.691   1.488  1.00  0.00           H  
HETATM   45  H   UNL     1       6.090   3.516  -1.124  1.00  0.00           H  
HETATM   46  H   UNL     1       6.332   1.114  -0.643  1.00  0.00           H  
HETATM   47  H   UNL     1       3.182   6.815   0.240  1.00  0.00           H  
HETATM   48  H   UNL     1       2.229   5.312   0.257  1.00  0.00           H  
HETATM   49  H   UNL     1       3.308   5.698   1.619  1.00  0.00           H  
HETATM   50  H   UNL     1       3.771  -1.850  -2.155  1.00  0.00           H  
HETATM   51  H   UNL     1       5.346  -1.222  -1.614  1.00  0.00           H  
HETATM   52  H   UNL     1       5.732  -3.385  -0.393  1.00  0.00           H  
HETATM   53  H   UNL     1       3.429  -4.094  -0.050  1.00  0.00           H  
HETATM   54  H   UNL     1       3.132  -4.124  -1.804  1.00  0.00           H  
HETATM   55  H   UNL     1       4.236  -5.310  -1.068  1.00  0.00           H  
HETATM   56  H   UNL     1       6.629  -3.023  -2.675  1.00  0.00           H  
HETATM   57  H   UNL     1       6.170  -4.726  -2.432  1.00  0.00           H  
HETATM   58  H   UNL     1       5.112  -3.644  -3.370  1.00  0.00           H  
HETATM   59  H   UNL     1       2.258  -2.745  -0.268  1.00  0.00           H  
HETATM   60  H   UNL     1       2.365  -1.842   1.262  1.00  0.00           H  
HETATM   61  H   UNL     1       1.945   0.280  -0.016  1.00  0.00           H  
HETATM   62  H   UNL     1       1.472  -1.528  -2.238  1.00  0.00           H  
HETATM   63  H   UNL     1       0.102  -1.028   1.082  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.326  -2.130  -1.731  1.00  0.00           H  
HETATM   65  H   UNL     1       0.361  -3.058  -0.377  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.379   0.709  -1.216  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.193   0.777   0.909  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.782   1.685  -0.564  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.105   3.718   0.734  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.259   2.565   2.408  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.577   2.830   1.856  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.370   4.537  -2.882  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.224   4.537  -1.506  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.230   2.202  -1.880  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.843   2.238  -2.660  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.015  -3.695   1.519  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.283  -4.214   2.322  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.120  -3.709   3.194  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.664  -4.373   2.610  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.134  -5.186   2.200  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.663  -1.480  -1.732  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4   12    3    3                                       
CONECT    2    1    1                                                 
CONECT    3    2    2                                                 
CONECT    4    9    9    5    2                                       
CONECT    5    6    6    4   43                                       
CONECT    6    7    5    5   44                                       
CONECT    7   10    8    8    6                                       
CONECT    8    7    7    9   45                                       
CONECT    9    8    4    4   46                                       
CONECT   10   11    7                                                 
CONECT   11   10   47   48   49                                       
CONECT   12   17   13    2                                            
CONECT   13   14   12   50   51                                       
CONECT   14   15   13   16   52                                       
CONECT   15   14   53   54   55                                       
CONECT   16   14   56   57   58                                       
CONECT   17   18   12   59   60                                       
CONECT   18   19   17   20   61                                       
CONECT   19   18   62                                                 
CONECT   20   18   21   23   63                                       
CONECT   21   20   22   64   65                                       
CONECT   22   21   41   41   35                                       
CONECT   23   20   24   66                                            
CONECT   24   23   26   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   24   27                                                 
CONECT   27   26   31   28   67                                       
CONECT   28   27   29   34   68                                       
CONECT   29   30   32   28   69                                       
CONECT   30   31   29                                                 
CONECT   31   30   27   70   71                                       
CONECT   32   33   29                                                 
CONECT   33   32   34   72   73                                       
CONECT   34   33   28   74   75                                       
CONECT   35   22   36   36   76                                       
CONECT   36   35   35   37   77                                       
CONECT   37   40   40   36   38                                       
CONECT   38   37   39                                                 
CONECT   39   38   78   79   80                                       
CONECT   40   41   42   37   37                                       
CONECT   41   22   22   40   81                                       
CONECT   42   40                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   23                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   39                                                      
CONECT   81   41                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
