COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.823  -2.574  -0.299  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.921  -0.298  -1.201  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.127   1.040  -1.497  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.627   2.019  -0.656  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.703   0.331   0.773  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.929  -0.051   2.008  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.450  -1.460   2.304  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.666  -0.265   1.755  1.00  0.00           C  
HETATM    9  C   UNL     1       5.791   2.891   0.786  1.00  0.00           C  
HETATM   10  C   UNL     1       6.155   1.513   0.298  1.00  0.00           C  
HETATM   11  C   UNL     1       7.439   1.250  -0.136  1.00  0.00           C  
HETATM   12  C   UNL     1       7.774  -0.015  -0.584  1.00  0.00           C  
HETATM   13  C   UNL     1       6.825  -1.020  -0.598  1.00  0.00           C  
HETATM   14  C   UNL     1       5.538  -0.762  -0.164  1.00  0.00           C  
HETATM   15  C   UNL     1       5.201   0.504   0.291  1.00  0.00           C  
HETATM   16  C   UNL     1       3.009  -0.326   0.687  1.00  0.00           C  
HETATM   17  C   UNL     1       1.671   0.141   1.199  1.00  0.00           C  
HETATM   18 CL   UNL     1      -6.886   3.695  -1.028  1.00  0.00          Cl  
HETATM   19  O   UNL     1      -7.411  -1.261  -2.026  1.00  0.00           O  
HETATM   20  C   UNL     1      -8.130  -0.823  -3.181  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.206  -0.654  -0.061  1.00  0.00           C  
HETATM   22  O   UNL     1      -6.002  -1.966   0.233  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.351  -3.683   0.644  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.133  -3.170  -1.673  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.922   1.665   0.479  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.549  -0.389   1.636  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.831  -0.990   2.767  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.839   0.790   1.123  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.458   0.373   0.611  1.00  0.00           C  
HETATM   30  N   UNL     1       0.635  -0.719   1.257  1.00  0.00           N  
HETATM   31  O   UNL     1       1.528   1.290   1.560  1.00  0.00           O  
HETATM   32  O   UNL     1       3.938   0.759   0.723  1.00  0.00           O  
HETATM   33  S   UNL     1       9.414  -0.347  -1.138  1.00  0.00           S  
HETATM   34  O   UNL     1       9.324  -1.465  -2.010  1.00  0.00           O  
HETATM   35  O   UNL     1       9.965   0.902  -1.529  1.00  0.00           O  
HETATM   36  N   UNL     1      10.283  -0.850   0.179  1.00  0.00           N  
HETATM   37  H   UNL     1      -4.039  -1.823  -0.397  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.678   1.318  -2.383  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.923   0.786   2.707  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.399  -0.914   2.480  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.564  -2.210   1.521  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.911  -1.893   3.147  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.518   0.468   2.548  1.00  0.00           H  
HETATM   44  H   UNL     1       5.435   3.490  -0.052  1.00  0.00           H  
HETATM   45  H   UNL     1       5.005   2.815   1.538  1.00  0.00           H  
HETATM   46  H   UNL     1       6.669   3.365   1.224  1.00  0.00           H  
HETATM   47  H   UNL     1       8.183   2.033  -0.127  1.00  0.00           H  
HETATM   48  H   UNL     1       7.088  -2.007  -0.947  1.00  0.00           H  
HETATM   49  H   UNL     1       4.797  -1.547  -0.176  1.00  0.00           H  
HETATM   50  H   UNL     1       3.375  -1.139   1.314  1.00  0.00           H  
HETATM   51  H   UNL     1       2.902  -0.679  -0.339  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.479  -0.209  -3.803  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.465  -1.689  -3.751  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.994  -0.236  -2.870  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.135  -4.434   0.742  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.453  -4.147   0.238  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.130  -3.258   1.623  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.234  -3.634  -2.079  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.917  -3.921  -1.575  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.469  -2.380  -2.345  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.533   2.431   1.133  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.396  -1.842   3.144  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.716  -0.250   3.559  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.411   1.232   0.307  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.724   1.522   1.923  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.926   1.251   0.244  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.573  -0.348  -0.199  1.00  0.00           H  
HETATM   68  H   UNL     1       0.750  -1.637   0.969  1.00  0.00           H  
HETATM   69  H   UNL     1      11.021  -1.470   0.065  1.00  0.00           H  
HETATM   70  H   UNL     1      10.056  -0.525   1.064  1.00  0.00           H  
CONECT    1   22   23   24   37                                       
CONECT    2    3    3   19   21                                       
CONECT    3    2    2    4   38                                       
CONECT    4    3   18   25   25                                       
CONECT    5    6   21   21   25                                       
CONECT    6    5   26   39   40                                       
CONECT    7    8   27   41   42                                       
CONECT    8    7   29   30   43                                       
CONECT    9   10   44   45   46                                       
CONECT   10    9   11   11   15                                       
CONECT   11   10   10   12   47                                       
CONECT   12   11   13   13   33                                       
CONECT   13   12   12   14   48                                       
CONECT   14   13   15   15   49                                       
CONECT   15   10   14   14   32                                       
CONECT   16   17   32   50   51                                       
CONECT   17   16   30   31   31                                       
CONECT   18    4                                                      
CONECT   19    2   20                                                 
CONECT   20   19   52   53   54                                       
CONECT   21    2    5    5   22                                       
CONECT   22    1   21                                                 
CONECT   23    1   55   56   57                                       
CONECT   24    1   58   59   60                                       
CONECT   25    4    4    5   61                                       
CONECT   26    6   27   28                                            
CONECT   27    7   26   62   63                                       
CONECT   28   26   29   64   65                                       
CONECT   29    8   28   66   67                                       
CONECT   30    8   17   68                                            
CONECT   31   17   17                                                 
CONECT   32   15   16                                                 
CONECT   33   12   34   34   35                                       
CONECT   33   35   36                                                 
CONECT   34   33   33                                                 
CONECT   35   33   33                                                 
CONECT   36   33   69   70                                            
CONECT   37    1                                                      
CONECT   38    3                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
