COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.395  -5.627  -1.074  1.00  0.00           C  
HETATM    2  C   UNL     1       2.490  -5.237   0.095  1.00  0.00           C  
HETATM    3  C   UNL     1       3.020  -5.869   1.384  1.00  0.00           C  
HETATM    4  C   UNL     1       2.474  -3.737   0.241  1.00  0.00           C  
HETATM    5  C   UNL     1       3.625  -3.052   0.484  1.00  0.00           C  
HETATM    6  N   UNL     1       3.643  -1.732   0.617  1.00  0.00           N  
HETATM    7  C   UNL     1       2.555  -0.989   0.524  1.00  0.00           C  
HETATM    8  N   UNL     1       2.635   0.383   0.671  1.00  0.00           N  
HETATM    9  C   UNL     1       2.648   1.058  -0.645  1.00  0.00           C  
HETATM   10  C   UNL     1       3.748   1.960  -0.056  1.00  0.00           C  
HETATM   11  C   UNL     1       4.900   2.239  -1.024  1.00  0.00           C  
HETATM   12  S   UNL     1       6.049   3.424  -0.271  1.00  0.00           S  
HETATM   13  O   UNL     1       5.379   4.668  -0.117  1.00  0.00           O  
HETATM   14  O   UNL     1       6.650   2.814   0.862  1.00  0.00           O  
HETATM   15  C   UNL     1       7.306   3.601  -1.567  1.00  0.00           C  
HETATM   16  C   UNL     1       4.029   0.809   0.926  1.00  0.00           C  
HETATM   17  C   UNL     1       1.310  -1.605   0.273  1.00  0.00           C  
HETATM   18  C   UNL     1       0.118  -0.882   0.162  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.012  -1.509  -0.073  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.086  -2.831  -0.215  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.323  -3.420  -0.462  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.474  -2.647  -0.450  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.399  -1.327  -0.311  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.497  -0.586  -0.299  1.00  0.00           C  
HETATM   25  N   UNL     1      -5.701  -1.125  -0.422  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.849  -2.434  -0.564  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.729  -3.243  -0.589  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.384   0.786  -0.152  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.638   1.125   1.067  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.407   2.637   1.121  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.759   3.356   1.110  1.00  0.00           C  
HETATM   32  O   UNL     1      -4.548   4.769   1.104  1.00  0.00           O  
HETATM   33  C   UNL     1      -5.535   2.948  -0.146  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.912   3.615  -0.135  1.00  0.00           C  
HETATM   35  F   UNL     1      -4.829   3.352  -1.284  1.00  0.00           F  
HETATM   36  C   UNL     1      -5.705   1.427  -0.163  1.00  0.00           C  
HETATM   37  C   UNL     1       0.036  -3.631  -0.122  1.00  0.00           C  
HETATM   38  C   UNL     1       1.272  -3.018   0.122  1.00  0.00           C  
HETATM   39  H   UNL     1       3.406  -6.712  -1.179  1.00  0.00           H  
HETATM   40  H   UNL     1       3.017  -5.177  -1.992  1.00  0.00           H  
HETATM   41  H   UNL     1       4.408  -5.270  -0.885  1.00  0.00           H  
HETATM   42  H   UNL     1       1.477  -5.594  -0.094  1.00  0.00           H  
HETATM   43  H   UNL     1       2.375  -5.591   2.217  1.00  0.00           H  
HETATM   44  H   UNL     1       3.031  -6.954   1.279  1.00  0.00           H  
HETATM   45  H   UNL     1       4.032  -5.512   1.574  1.00  0.00           H  
HETATM   46  H   UNL     1       4.552  -3.599   0.572  1.00  0.00           H  
HETATM   47  H   UNL     1       2.992   0.422  -1.461  1.00  0.00           H  
HETATM   48  H   UNL     1       1.724   1.587  -0.877  1.00  0.00           H  
HETATM   49  H   UNL     1       3.366   2.862   0.422  1.00  0.00           H  
HETATM   50  H   UNL     1       5.426   1.309  -1.240  1.00  0.00           H  
HETATM   51  H   UNL     1       4.503   2.655  -1.951  1.00  0.00           H  
HETATM   52  H   UNL     1       6.839   3.978  -2.477  1.00  0.00           H  
HETATM   53  H   UNL     1       8.072   4.302  -1.236  1.00  0.00           H  
HETATM   54  H   UNL     1       7.761   2.632  -1.767  1.00  0.00           H  
HETATM   55  H   UNL     1       4.207   1.139   1.949  1.00  0.00           H  
HETATM   56  H   UNL     1       4.776   0.100   0.570  1.00  0.00           H  
HETATM   57  H   UNL     1       0.127   0.192   0.269  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.379  -4.371  -0.644  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.835  -2.864  -0.665  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.823  -4.312  -0.708  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.211   0.814   1.941  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.677   0.611   1.060  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.868   2.890   2.033  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.823   2.947   0.254  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.328   3.076   1.997  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.058   5.097   1.870  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.461   3.301   0.753  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.791   4.698  -0.122  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.465   3.321  -1.027  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.244   1.132  -1.063  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.267   1.114   0.717  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.036  -4.702  -0.239  1.00  0.00           H  
CONECT    1    2   39   40   41                                       
CONECT    2    4    3    1   42                                       
CONECT    3    2   43   44   45                                       
CONECT    4   38   38    5    2                                       
CONECT    5    6    6    4   46                                       
CONECT    6    7    5    5                                            
CONECT    7    8   17   17    6                                       
CONECT    8    9   16    7                                            
CONECT    9   10    8   47   48                                       
CONECT   10   11    9   16   49                                       
CONECT   11   12   10   50   51                                       
CONECT   12   13   13   15   11                                       
CONECT   12   14   14                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15   12   52   53   54                                       
CONECT   16   10    8   55   56                                       
CONECT   17   18    7    7   38                                       
CONECT   18   19   19   17   57                                       
CONECT   19   18   18   20                                            
CONECT   20   19   21   37   37                                       
CONECT   21   20   22   58                                            
CONECT   22   21   27   27   23                                       
CONECT   23   22   24   24                                            
CONECT   24   23   23   25   28                                       
CONECT   25   26   26   24                                            
CONECT   26   27   25   25   59                                       
CONECT   27   22   22   26   60                                       
CONECT   28   24   36   29                                            
CONECT   29   30   28   61   62                                       
CONECT   30   31   29   63   64                                       
CONECT   31   33   32   30   65                                       
CONECT   32   31   66                                                 
CONECT   33   35   34   36   31                                       
CONECT   34   33   67   68   69                                       
CONECT   35   33                                                      
CONECT   36   33   28   70   71                                       
CONECT   37   20   20   38   72                                       
CONECT   38   17   37    4    4                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   18                                                      
CONECT   58   21                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
