COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.546   0.718   0.015  1.00  0.00           C  
HETATM    2  C   UNL     1       5.436  -0.739  -2.144  1.00  0.00           C  
HETATM    3  C   UNL     1       6.103  -0.194  -1.063  1.00  0.00           C  
HETATM    4  C   UNL     1       5.699  -0.496   0.224  1.00  0.00           C  
HETATM    5  C   UNL     1       4.626  -1.344   0.430  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.285   2.190  -0.178  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.109   2.717  -1.372  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.136   3.718  -2.050  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.770   3.020  -1.833  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.826   2.103   0.305  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.417   2.385  -0.149  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.691  -1.430   0.152  1.00  0.00           C  
HETATM   13  C   UNL     1       2.316   2.266   0.440  1.00  0.00           C  
HETATM   14  C   UNL     1       2.389   2.841  -0.822  1.00  0.00           C  
HETATM   15  C   UNL     1       3.619   3.153  -1.367  1.00  0.00           C  
HETATM   16  C   UNL     1       4.777   2.895  -0.658  1.00  0.00           C  
HETATM   17  C   UNL     1       4.710   2.322   0.599  1.00  0.00           C  
HETATM   18  C   UNL     1       3.483   2.012   1.153  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.960  -1.952   0.346  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.088  -1.012   0.374  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.513  -2.326   0.113  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.116  -2.701  -0.115  1.00  0.00           C  
HETATM   23  C   UNL     1       1.149  -1.871  -0.341  1.00  0.00           C  
HETATM   24  C   UNL     1       3.959  -1.889  -0.651  1.00  0.00           C  
HETATM   25  C   UNL     1       4.360  -1.582  -1.938  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.822   0.301   0.199  1.00  0.00           N  
HETATM   27  N   UNL     1      -3.538  -0.103  -0.007  1.00  0.00           N  
HETATM   28  N   UNL     1      -1.282  -1.813  -0.077  1.00  0.00           N  
HETATM   29  N   UNL     1      -2.867   2.409  -0.495  1.00  0.00           N  
HETATM   30  O   UNL     1      -7.229  -1.405   0.541  1.00  0.00           O  
HETATM   31  O   UNL     1      -5.154  -3.285   0.504  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.658  -3.525   0.252  1.00  0.00           O  
HETATM   33  O   UNL     1      -2.024   1.601   1.391  1.00  0.00           O  
HETATM   34  O   UNL     1       2.832  -3.533   0.894  1.00  0.00           O  
HETATM   35  O   UNL     1       2.560  -3.784  -1.552  1.00  0.00           O  
HETATM   36  S   UNL     1       2.592  -2.969  -0.388  1.00  0.00           S  
HETATM   37  S   UNL     1       0.749   1.865   1.139  1.00  0.00           S  
HETATM   38 CL   UNL     1       3.398   1.294   2.731  1.00  0.00          Cl  
HETATM   39  H   UNL     1       5.752  -0.503  -3.149  1.00  0.00           H  
HETATM   40  H   UNL     1       6.941   0.469  -1.224  1.00  0.00           H  
HETATM   41  H   UNL     1       6.221  -0.071   1.068  1.00  0.00           H  
HETATM   42  H   UNL     1       4.310  -1.580   1.435  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.554   2.735   0.727  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.363   1.905  -2.054  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.008   3.226  -1.026  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.359   3.821  -3.112  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.164   4.687  -1.552  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.613   2.252  -2.591  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.962   3.751  -1.861  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.215   1.833  -1.067  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.302   3.453  -0.335  1.00  0.00           H  
HETATM   52  H   UNL     1       1.485   3.043  -1.377  1.00  0.00           H  
HETATM   53  H   UNL     1       3.676   3.600  -2.349  1.00  0.00           H  
HETATM   54  H   UNL     1       5.738   3.140  -1.087  1.00  0.00           H  
HETATM   55  H   UNL     1       5.616   2.125   1.152  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.232  -3.416  -0.929  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.036  -3.236   0.831  1.00  0.00           H  
HETATM   58  H   UNL     1       1.069  -1.336  -1.287  1.00  0.00           H  
HETATM   59  H   UNL     1       1.264  -1.155   0.473  1.00  0.00           H  
HETATM   60  H   UNL     1       3.838  -2.008  -2.782  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.546   0.947   0.205  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.167  -0.857  -0.188  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.079  -3.535   0.633  1.00  0.00           H  
CONECT    1   27   27    6   26                                       
CONECT    2   25   25    3   39                                       
CONECT    3    4    4    2   40                                       
CONECT    4    5    3    3   41                                       
CONECT    5   24   24    4   42                                       
CONECT    6   29    1    7   43                                       
CONECT    7    6    8   44   45                                       
CONECT    8    9    7   46   47                                       
CONECT    9   29    8   48   49                                       
CONECT   10   11   33   33   29                                       
CONECT   11   37   10   50   51                                       
CONECT   12   21   27   19   19                                       
CONECT   13   18   37   14   14                                       
CONECT   14   13   13   15   52                                       
CONECT   15   16   16   14   53                                       
CONECT   16   17   15   15   54                                       
CONECT   17   18   18   16   55                                       
CONECT   18   38   17   17   13                                       
CONECT   19   12   12   31   20                                       
CONECT   20   19   26   30   30                                       
CONECT   21   28   32   32   12                                       
CONECT   22   28   23   56   57                                       
CONECT   23   22   36   58   59                                       
CONECT   24   36    5    5   25                                       
CONECT   25   24    2    2   60                                       
CONECT   26    1   20   61                                            
CONECT   27   12    1    1                                            
CONECT   28   22   21   62                                            
CONECT   29   10    9    6                                            
CONECT   30   20   20                                                 
CONECT   31   19   63                                                 
CONECT   32   21   21                                                 
CONECT   33   10   10                                                 
CONECT   34   36   36                                                 
CONECT   35   36   36                                                 
CONECT   36   35   35   23   34                                       
CONECT   36   34   24                                                 
CONECT   37   13   11                                                 
CONECT   38   18                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   28                                                      
CONECT   63   31                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
