COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -2.838   4.989  -0.287  1.00  0.00           S  
HETATM    2  C   UNL     1      -1.010   1.485   0.550  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.093   1.093  -0.489  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.341   3.431  -0.025  1.00  0.00           N  
HETATM    5  C   UNL     1       0.341   0.959   0.137  1.00  0.00           C  
HETATM    6  N   UNL     1       6.322  -1.121  -0.382  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.685  -0.255  -0.170  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.138   2.219  -0.289  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.031   3.028   0.507  1.00  0.00           C  
HETATM   10  C   UNL     1       6.811  -2.116   0.383  1.00  0.00           C  
HETATM   11  C   UNL     1       5.090  -0.539  -0.057  1.00  0.00           C  
HETATM   12  N   UNL     1       1.420   1.193   0.909  1.00  0.00           N  
HETATM   13  C   UNL     1       5.049   0.600   0.738  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.646  -0.773  -0.960  1.00  0.00           N  
HETATM   15  C   UNL     1       2.653   0.612   0.585  1.00  0.00           C  
HETATM   16  C   UNL     1       3.834   1.174   1.058  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.632   5.712  -0.493  1.00  0.00           O  
HETATM   18  O   UNL     1      -3.811   4.878  -1.316  1.00  0.00           O  
HETATM   19  C   UNL     1       7.013  -0.673  -1.463  1.00  0.00           C  
HETATM   20  O   UNL     1       0.456   0.325  -0.891  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.296  -0.875   0.797  1.00  0.00           O  
HETATM   22  C   UNL     1       8.045  -2.706   0.064  1.00  0.00           C  
HETATM   23  O   UNL     1       6.181  -2.504   1.354  1.00  0.00           O  
HETATM   24  C   UNL     1       3.911  -1.096  -0.534  1.00  0.00           C  
HETATM   25  C   UNL     1       2.697  -0.523  -0.214  1.00  0.00           C  
HETATM   26  C   UNL     1       8.208  -1.217  -1.794  1.00  0.00           C  
HETATM   27  C   UNL     1       8.738  -2.261  -1.024  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.269  -1.976  -0.607  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.617   5.484   1.275  1.00  0.00           C  
HETATM   30  F   UNL     1       3.793   2.281   1.832  1.00  0.00           F  
HETATM   31  C   UNL     1      -5.500  -4.355   0.090  1.00  0.00           C  
HETATM   32 CL   UNL     1      -6.273  -5.847   0.527  1.00  0.00          Cl  
HETATM   33  C   UNL     1      -5.618  -2.166  -0.876  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.538  -2.984   0.008  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.155  -4.170   0.355  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.230  -3.354  -0.527  1.00  0.00           C  
HETATM   37  H   UNL     1      -2.887   5.419   2.082  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.978   6.509   1.192  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.455   4.820   1.490  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.277   1.121   1.542  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.688   1.111  -1.501  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.900   3.429   1.512  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.238   3.391  -0.146  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.736   2.347  -1.191  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.779   1.995   0.564  1.00  0.00           H  
HETATM   46  H   UNL     1       1.344   1.764   1.689  1.00  0.00           H  
HETATM   47  H   UNL     1       6.604   0.126  -2.065  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.907  -0.313  -1.772  1.00  0.00           H  
HETATM   49  H   UNL     1       8.442  -3.504   0.675  1.00  0.00           H  
HETATM   50  H   UNL     1       5.966   1.036   1.105  1.00  0.00           H  
HETATM   51  H   UNL     1       3.944  -1.979  -1.156  1.00  0.00           H  
HETATM   52  H   UNL     1       1.780  -0.960  -0.582  1.00  0.00           H  
HETATM   53  H   UNL     1       8.748  -0.852  -2.655  1.00  0.00           H  
HETATM   54  H   UNL     1       9.688  -2.703  -1.284  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.488  -2.841   0.215  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.188  -1.385  -1.357  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.280  -3.500  -0.733  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.587  -4.952   0.837  1.00  0.00           H  
CONECT    1    4   17   17   18                                       
CONECT    1   18   29                                                 
CONECT    2    3    5    9   40                                       
CONECT    3    2    7    8   41                                       
CONECT    4    1    8    9                                            
CONECT    5    2   12   20   20                                       
CONECT    6   10   11   19                                            
CONECT    7    3   14   21   21                                       
CONECT    8    3    4   44   45                                       
CONECT    9    2    4   42   43                                       
CONECT   10    6   22   23   23                                       
CONECT   11    6   13   24   24                                       
CONECT   12    5   15   46                                            
CONECT   13   11   16   16   50                                       
CONECT   14    7   28   48                                            
CONECT   15   12   16   25   25                                       
CONECT   16   13   13   15   30                                       
CONECT   17    1    1                                                 
CONECT   18    1    1                                                 
CONECT   19    6   26   26   47                                       
CONECT   20    5    5                                                 
CONECT   21    7    7                                                 
CONECT   22   10   27   27   49                                       
CONECT   23   10   10                                                 
CONECT   24   11   11   25   51                                       
CONECT   25   15   15   24   52                                       
CONECT   26   19   19   27   53                                       
CONECT   27   22   22   26   54                                       
CONECT   28   14   34   34   33                                       
CONECT   29    1   37   38   39                                       
CONECT   30   16                                                      
CONECT   31   32   36   35   35                                       
CONECT   32   31                                                      
CONECT   33   28   36   36   56                                       
CONECT   34   28   28   35   55                                       
CONECT   35   31   31   34   58                                       
CONECT   36   31   33   33   57                                       
CONECT   37   29                                                      
CONECT   38   29                                                      
CONECT   39   29                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46   12                                                      
CONECT   47   19                                                      
CONECT   48   14                                                      
CONECT   49   22                                                      
CONECT   50   13                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   34                                                      
CONECT   56   33                                                      
CONECT   57   36                                                      
CONECT   58   35                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
