COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.728   0.186  -5.085  1.00  0.00           C  
HETATM    2  C   UNL     1       8.684  -1.012  -4.843  1.00  0.00           C  
HETATM    3  C   UNL     1       8.410  -1.642  -3.371  1.00  0.00           C  
HETATM    4  C   UNL     1       8.577  -3.874  -2.409  1.00  0.00           C  
HETATM    5  C   UNL     1       8.947  -5.950  -1.034  1.00  0.00           C  
HETATM    6  C   UNL     1      10.117  -6.996  -0.688  1.00  0.00           C  
HETATM    7  C   UNL     1      10.582  -7.739  -1.957  1.00  0.00           C  
HETATM    8  C   UNL     1      12.039  -8.194  -1.800  1.00  0.00           C  
HETATM    9  C   UNL     1       9.665  -8.944  -2.197  1.00  0.00           C  
HETATM   10  C   UNL     1       8.148  -5.568   0.288  1.00  0.00           C  
HETATM   11  C   UNL     1       6.214  -5.900   1.966  1.00  0.00           C  
HETATM   12  C   UNL     1       4.920  -5.091   1.715  1.00  0.00           C  
HETATM   13  C   UNL     1       5.187  -3.739   0.965  1.00  0.00           C  
HETATM   14  C   UNL     1       3.882  -2.974   0.722  1.00  0.00           C  
HETATM   15  C   UNL     1       5.415  -1.306   1.422  1.00  0.00           C  
HETATM   16  C   UNL     1       6.010  -2.733   1.777  1.00  0.00           C  
HETATM   17  C   UNL     1       5.791  -7.167   2.734  1.00  0.00           C  
HETATM   18  C   UNL     1      10.143  -0.496  -4.879  1.00  0.00           C  
HETATM   19  C   UNL     1       8.502  -2.121  -5.959  1.00  0.00           C  
HETATM   20  C   UNL     1       7.221  -2.611  -6.244  1.00  0.00           C  
HETATM   21  C   UNL     1       7.029  -3.580  -7.238  1.00  0.00           C  
HETATM   22  C   UNL     1       8.085  -4.108  -7.987  1.00  0.00           C  
HETATM   23  C   UNL     1       9.385  -3.627  -7.711  1.00  0.00           C  
HETATM   24  C   UNL     1       9.593  -2.639  -6.707  1.00  0.00           C  
HETATM   25  N   UNL     1       9.461  -4.727  -1.693  1.00  0.00           N  
HETATM   26  N   UNL     1       6.955  -6.227   0.728  1.00  0.00           N  
HETATM   27  N   UNL     1       4.008  -1.557   0.968  1.00  0.00           N  
HETATM   28  O   UNL     1       9.059  -2.929  -3.314  1.00  0.00           O  
HETATM   29  O   UNL     1       2.820  -3.496   0.334  1.00  0.00           O  
HETATM   30  O   UNL     1       6.923  -7.953   3.032  1.00  0.00           O  
HETATM   31  O   UNL     1       8.620  -4.628   0.986  1.00  0.00           O  
HETATM   32  O   UNL     1       7.354  -3.984  -2.274  1.00  0.00           O  
HETATM   33 CL   UNL     1       5.347  -4.160  -7.540  1.00  0.00          Cl  
HETATM   34  S   UNL     1       4.972  -8.362   1.686  1.00  0.00           S  
HETATM   35  H   UNL     1       7.876   0.939  -4.297  1.00  0.00           H  
HETATM   36  H   UNL     1       8.825  -0.979  -2.597  1.00  0.00           H  
HETATM   37  H   UNL     1       8.244  -6.454  -1.714  1.00  0.00           H  
HETATM   38  H   UNL     1       9.741  -7.729   0.041  1.00  0.00           H  
HETATM   39  H   UNL     1       5.686  -3.944   0.006  1.00  0.00           H  
HETATM   40  H   UNL     1       6.000  -0.835   0.618  1.00  0.00           H  
HETATM   41  H   UNL     1       5.422  -0.656   2.309  1.00  0.00           H  
HETATM   42  H   UNL     1       5.908  -2.934   2.854  1.00  0.00           H  
HETATM   43  H   UNL     1       7.071  -2.788   1.493  1.00  0.00           H  
HETATM   44  H   UNL     1       5.148  -6.941   3.597  1.00  0.00           H  
HETATM   45  H   UNL     1      10.279   0.275  -4.107  1.00  0.00           H  
HETATM   46  H   UNL     1      10.832  -1.332  -4.688  1.00  0.00           H  
HETATM   47  H   UNL     1      10.355  -0.065  -5.869  1.00  0.00           H  
HETATM   48  H   UNL     1       6.372  -2.238  -5.691  1.00  0.00           H  
HETATM   49  H   UNL     1       7.914  -4.855  -8.748  1.00  0.00           H  
HETATM   50  H   UNL     1      10.228  -4.012  -8.266  1.00  0.00           H  
HETATM   51  H   UNL     1      10.592  -2.279  -6.512  1.00  0.00           H  
HETATM   52  H   UNL     1      10.433  -4.500  -1.634  1.00  0.00           H  
HETATM   53  H   UNL     1       6.596  -6.964   0.155  1.00  0.00           H  
HETATM   54  H   UNL     1       3.290  -0.870   0.856  1.00  0.00           H  
HETATM   55  O   UNL     1       0.000   0.000   0.000  1.00  0.00           O  
HETATM   56  O   UNL     1       0.000   0.000   0.000  1.00  0.00           O  
HETATM   57  O   UNL     1       0.000   0.000   0.000  1.00  0.00           O  
HETATM   58  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   59  C   UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM   60  C   UNL     1       0.000   0.000   0.000  1.00  0.00           C  
HETATM   61  O   UNL     1       0.000   0.000   0.000  1.00  0.00           O  
HETATM   62  H   UNL     1       7.944   0.635  -6.066  1.00  0.00           H  
HETATM   63  H   UNL     1       6.686  -0.166  -5.064  1.00  0.00           H  
HETATM   64  H   UNL     1       7.328  -1.761  -3.210  1.00  0.00           H  
HETATM   65  H   UNL     1      10.970  -6.453  -0.256  1.00  0.00           H  
HETATM   66  H   UNL     1      10.510  -7.056  -2.817  1.00  0.00           H  
HETATM   67  H   UNL     1      12.681  -7.317  -1.629  1.00  0.00           H  
HETATM   68  H   UNL     1      12.119  -8.879  -0.943  1.00  0.00           H  
HETATM   69  H   UNL     1      12.362  -8.712  -2.715  1.00  0.00           H  
HETATM   70  H   UNL     1       8.626  -8.599  -2.307  1.00  0.00           H  
HETATM   71  H   UNL     1       9.977  -9.465  -3.114  1.00  0.00           H  
HETATM   72  H   UNL     1       9.734  -9.633  -1.342  1.00  0.00           H  
HETATM   73  H   UNL     1       6.865  -5.304   2.623  1.00  0.00           H  
HETATM   74  H   UNL     1       4.450  -4.869   2.685  1.00  0.00           H  
HETATM   75  H   UNL     1       4.236  -5.701   1.107  1.00  0.00           H  
HETATM   76  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   77  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   78  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
CONECT    1    2   35   62   63                                       
CONECT    2   19    1   18    3                                       
CONECT    3    2   28   36   64                                       
CONECT    4   28   32   32   25                                       
CONECT    5   25    6   10   37                                       
CONECT    6    7    5   38   65                                       
CONECT    7    9    8    6   66                                       
CONECT    8    7   67   68   69                                       
CONECT    9    7   70   71   72                                       
CONECT   10    5   26   31   31                                       
CONECT   11   26   12   17   73                                       
CONECT   12   13   11   74   75                                       
CONECT   13   14   12   16   39                                       
CONECT   14   29   29   13   27                                       
CONECT   15   27   16   40   41                                       
CONECT   16   13   15   42   43                                       
CONECT   17   11   30   34   44                                       
CONECT   18    2   45   46   47                                       
CONECT   19   24   24   20    2                                       
CONECT   20   21   21   19   48                                       
CONECT   21   22   33   20   20                                       
CONECT   22   23   23   21   49                                       
CONECT   23   22   22   24   50                                       
CONECT   24   23   19   19   51                                       
CONECT   25    4    5   52                                            
CONECT   26   10   11   53                                            
CONECT   27   14   15   54                                            
CONECT   28    3    4                                                 
CONECT   29   14   14                                                 
CONECT   30   17   59                                                 
CONECT   31   10   10                                                 
CONECT   32    4    4                                                 
CONECT   33   21                                                      
CONECT   34   17   55   55   56                                       
CONECT   34   56   57                                                 
CONECT   35    1                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   20                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   34   34                                                 
CONECT   56   34   34                                                 
CONECT   57   34   58                                                 
CONECT   58   57                                                      
CONECT   59   30   60   61   61                                       
CONECT   60   59   76   77   78                                       
CONECT   61   59   59                                                 
CONECT   62    1                                                      
CONECT   63    1                                                      
CONECT   64    3                                                      
CONECT   65    6                                                      
CONECT   66    7                                                      
CONECT   67    8                                                      
CONECT   68    8                                                      
CONECT   69    8                                                      
CONECT   70    9                                                      
CONECT   71    9                                                      
CONECT   72    9                                                      
CONECT   73   11                                                      
CONECT   74   12                                                      
CONECT   75   12                                                      
CONECT   76   60                                                      
CONECT   77   60                                                      
CONECT   78   60                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
