COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.496  -2.276  -0.521  1.00  0.00           O  
HETATM    2  C   UNL     1       5.201  -1.299  -0.376  1.00  0.00           C  
HETATM    3  N   UNL     1       6.541  -1.436  -0.337  1.00  0.00           N  
HETATM    4  C   UNL     1       7.113  -2.709  -0.353  1.00  0.00           C  
HETATM    5  C   UNL     1       8.348  -2.930  -0.962  1.00  0.00           C  
HETATM    6  C   UNL     1       8.880  -4.203  -0.955  1.00  0.00           C  
HETATM    7  N   UNL     1       8.235  -5.202  -0.383  1.00  0.00           N  
HETATM    8  C   UNL     1       7.065  -5.033   0.203  1.00  0.00           C  
HETATM    9  C   UNL     1       6.469  -3.790   0.245  1.00  0.00           C  
HETATM   10  C   UNL     1       4.579   0.067  -0.246  1.00  0.00           C  
HETATM   11  C   UNL     1       5.080   0.965  -1.379  1.00  0.00           C  
HETATM   12  C   UNL     1       4.556   2.364  -1.180  1.00  0.00           C  
HETATM   13  C   UNL     1       5.155   3.409  -0.347  1.00  0.00           C  
HETATM   14  C   UNL     1       6.291   3.473   0.462  1.00  0.00           C  
HETATM   15  C   UNL     1       6.586   4.629   1.128  1.00  0.00           C  
HETATM   16  C   UNL     1       5.764   5.741   1.007  1.00  0.00           C  
HETATM   17  C   UNL     1       4.639   5.701   0.215  1.00  0.00           C  
HETATM   18  C   UNL     1       4.319   4.534  -0.473  1.00  0.00           C  
HETATM   19  N   UNL     1       3.293   4.184  -1.321  1.00  0.00           N  
HETATM   20  C   UNL     1       3.453   2.890  -1.737  1.00  0.00           C  
HETATM   21  N   UNL     1       3.121  -0.051  -0.325  1.00  0.00           N  
HETATM   22  C   UNL     1       2.407  -0.339   0.781  1.00  0.00           C  
HETATM   23  O   UNL     1       2.973  -0.502   1.845  1.00  0.00           O  
HETATM   24  C   UNL     1       0.940  -0.458   0.701  1.00  0.00           C  
HETATM   25  C   UNL     1       0.196  -0.757   1.850  1.00  0.00           C  
HETATM   26  F   UNL     1       0.821  -0.938   3.034  1.00  0.00           F  
HETATM   27  C   UNL     1      -1.177  -0.866   1.767  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.815  -0.678   0.546  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.072  -0.381  -0.594  1.00  0.00           C  
HETATM   30  C   UNL     1       0.286  -0.266  -0.520  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.199  -0.788   0.463  1.00  0.00           N  
HETATM   32  C   UNL     1      -3.664  -0.553  -0.911  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.163  -0.860  -0.999  1.00  0.00           C  
HETATM   34  N   UNL     1      -5.860  -0.080   0.035  1.00  0.00           N  
HETATM   35  C   UNL     1      -5.364  -0.157   1.418  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.857   0.121   1.410  1.00  0.00           C  
HETATM   37  S   UNL     1      -7.169   0.859  -0.347  1.00  0.00           S  
HETATM   38  O   UNL     1      -7.255   1.857   0.662  1.00  0.00           O  
HETATM   39  O   UNL     1      -7.056   1.161  -1.731  1.00  0.00           O  
HETATM   40  C   UNL     1      -8.604  -0.149  -0.173  1.00  0.00           C  
HETATM   41  S   UNL     1      -9.314  -1.130  -1.449  1.00  0.00           S  
HETATM   42  C   UNL     1     -10.576  -1.687  -0.359  1.00  0.00           C  
HETATM   43  C   UNL     1     -10.405  -1.135   0.844  1.00  0.00           C  
HETATM   44  C   UNL     1      -9.314  -0.290   0.947  1.00  0.00           C  
HETATM   45  H   UNL     1       7.108  -0.650  -0.299  1.00  0.00           H  
HETATM   46  H   UNL     1       4.856   0.503   0.714  1.00  0.00           H  
HETATM   47  H   UNL     1       8.880  -2.117  -1.433  1.00  0.00           H  
HETATM   48  H   UNL     1       5.513  -3.658   0.731  1.00  0.00           H  
HETATM   49  H   UNL     1       9.835  -4.384  -1.425  1.00  0.00           H  
HETATM   50  H   UNL     1       6.571  -5.878   0.660  1.00  0.00           H  
HETATM   51  H   UNL     1       6.170   0.982  -1.374  1.00  0.00           H  
HETATM   52  H   UNL     1       4.726   0.577  -2.334  1.00  0.00           H  
HETATM   53  H   UNL     1       2.669   0.079  -1.174  1.00  0.00           H  
HETATM   54  H   UNL     1       2.790   2.369  -2.411  1.00  0.00           H  
HETATM   55  H   UNL     1       6.935   2.611   0.561  1.00  0.00           H  
HETATM   56  H   UNL     1       7.465   4.677   1.754  1.00  0.00           H  
HETATM   57  H   UNL     1       6.010   6.648   1.541  1.00  0.00           H  
HETATM   58  H   UNL     1       4.006   6.571   0.127  1.00  0.00           H  
HETATM   59  H   UNL     1       2.567   4.769  -1.588  1.00  0.00           H  
HETATM   60  H   UNL     1       0.857  -0.031  -1.406  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.755  -1.097   2.650  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.573  -0.236  -1.540  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.489   0.488  -1.182  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.119  -1.204  -1.595  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.453  -0.040   2.409  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.680   1.153   1.107  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.537  -0.579  -1.983  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.330  -1.924  -0.830  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.871   0.588   2.031  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.550  -1.154   1.819  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.057   0.218   1.865  1.00  0.00           H  
HETATM   72  H   UNL     1     -11.369  -2.372  -0.622  1.00  0.00           H  
HETATM   73  H   UNL     1     -11.066  -1.335   1.674  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   10                                       
CONECT    3    2    4   45                                            
CONECT    4    3    5    5    9                                       
CONECT    5    4    4    6   47                                       
CONECT    6    5    7    7   49                                       
CONECT    7    6    6    8                                            
CONECT    8    7    9    9   50                                       
CONECT    9    4    8    8   48                                       
CONECT   10    2   11   21   46                                       
CONECT   11   10   12   51   52                                       
CONECT   12   11   13   20   20                                       
CONECT   13   12   14   18   18                                       
CONECT   14   13   15   15   55                                       
CONECT   15   14   14   16   56                                       
CONECT   16   15   17   17   57                                       
CONECT   17   16   16   18   58                                       
CONECT   18   13   13   17   19                                       
CONECT   19   18   20   59                                            
CONECT   20   12   12   19   54                                       
CONECT   21   10   22   53                                            
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   30   30                                       
CONECT   25   24   26   27   27                                       
CONECT   26   25                                                      
CONECT   27   25   25   28   61                                       
CONECT   28   27   29   29   31                                       
CONECT   29   28   28   30   62                                       
CONECT   30   24   24   29   60                                       
CONECT   31   28   32   36                                            
CONECT   32   31   33   63   64                                       
CONECT   33   32   34   67   68                                       
CONECT   34   33   35   37                                            
CONECT   35   34   36   69   70                                       
CONECT   36   31   35   65   66                                       
CONECT   37   34   38   38   39                                       
CONECT   37   39   40                                                 
CONECT   38   37   37                                                 
CONECT   39   37   37                                                 
CONECT   40   37   41   44   44                                       
CONECT   41   40   42                                                 
CONECT   42   41   43   43   72                                       
CONECT   43   42   42   44   73                                       
CONECT   44   40   40   43   71                                       
CONECT   45    3                                                      
CONECT   46   10                                                      
CONECT   47    5                                                      
CONECT   48    9                                                      
CONECT   49    6                                                      
CONECT   50    8                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   21                                                      
CONECT   54   20                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   19                                                      
CONECT   60   30                                                      
CONECT   61   27                                                      
CONECT   62   29                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   44                                                      
CONECT   72   42                                                      
CONECT   73   43                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
