COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.159   1.286   1.792  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.024  -1.297   0.306  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.232  -1.804  -1.123  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.880  -1.704  -1.582  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.578  -1.193  -0.171  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.782  -0.401   0.346  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.954   0.260  -0.068  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.930   0.778   0.733  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.019   1.703   0.326  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.957   2.159   1.255  1.00  0.00           C  
HETATM   11  C   UNL     1     -10.981   3.371  -0.406  1.00  0.00           C  
HETATM   12  C   UNL     1       9.020   2.086  -0.304  1.00  0.00           C  
HETATM   13  C   UNL     1       9.138   1.954   1.071  1.00  0.00           C  
HETATM   14  F   UNL     1       8.278   1.158   3.132  1.00  0.00           F  
HETATM   15  F   UNL     1      10.207   2.476   1.710  1.00  0.00           F  
HETATM   16  F   UNL     1       9.976   2.738  -1.003  1.00  0.00           F  
HETATM   17  C   UNL     1       7.927   1.553  -0.961  1.00  0.00           C  
HETATM   18  C   UNL     1       7.061   0.755   1.143  1.00  0.00           C  
HETATM   19  C   UNL     1       6.940   0.887  -0.239  1.00  0.00           C  
HETATM   20  C   UNL     1       5.764   0.313  -0.941  1.00  0.00           C  
HETATM   21  C   UNL     1       4.722  -0.363  -0.375  1.00  0.00           C  
HETATM   22  N   UNL     1       5.509   0.360  -2.260  1.00  0.00           N  
HETATM   23  N   UNL     1       4.396  -0.241  -2.489  1.00  0.00           N  
HETATM   24  N   UNL     1       3.895  -0.692  -1.393  1.00  0.00           N  
HETATM   25  C   UNL     1       2.635  -1.431  -1.268  1.00  0.00           C  
HETATM   26  C   UNL     1       1.505  -0.460  -0.913  1.00  0.00           C  
HETATM   27  O   UNL     1       1.330   0.478  -1.976  1.00  0.00           O  
HETATM   28  C   UNL     1       0.855   1.757  -1.551  1.00  0.00           C  
HETATM   29  C   UNL     1       2.763  -2.477  -0.156  1.00  0.00           C  
HETATM   30  O   UNL     1       3.127  -1.833   1.066  1.00  0.00           O  
HETATM   31  C   UNL     1       1.419  -3.189   0.020  1.00  0.00           C  
HETATM   32  C   UNL     1       1.522  -4.194   1.169  1.00  0.00           C  
HETATM   33  O   UNL     1       0.306  -4.940   1.259  1.00  0.00           O  
HETATM   34  O   UNL     1       0.407  -2.226   0.318  1.00  0.00           O  
HETATM   35  C   UNL     1       0.210  -1.250  -0.707  1.00  0.00           C  
HETATM   36  S   UNL     1      -1.118  -0.116  -0.216  1.00  0.00           S  
HETATM   37  O   UNL     1      -3.538   0.017   1.691  1.00  0.00           O  
HETATM   38  O   UNL     1      -4.064  -2.504  -1.554  1.00  0.00           O  
HETATM   39  N   UNL     1      -6.197  -0.528   0.729  1.00  0.00           N  
HETATM   40  N   UNL     1      -6.680  -0.488   1.921  1.00  0.00           N  
HETATM   41  N   UNL     1      -7.709   0.283   1.963  1.00  0.00           N  
HETATM   42  C   UNL     1      -9.128   2.146  -0.994  1.00  0.00           C  
HETATM   43  N   UNL     1     -10.112   2.969  -1.313  1.00  0.00           N  
HETATM   44  N   UNL     1     -10.910   2.981   0.851  1.00  0.00           N  
HETATM   45  H   UNL     1      -4.883  -2.145   0.977  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.090  -2.476  -1.149  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.414  -0.958  -1.786  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.031  -0.856  -2.251  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.043  -2.304  -1.939  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.386  -2.039   0.489  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.943   0.473  -0.285  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.817   0.439  -1.124  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.906   1.844   2.287  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.773   4.043  -0.702  1.00  0.00           H  
HETATM   55  H   UNL     1       7.836   1.657  -2.032  1.00  0.00           H  
HETATM   56  H   UNL     1       6.297   0.239   1.706  1.00  0.00           H  
HETATM   57  H   UNL     1       4.585  -0.588   0.672  1.00  0.00           H  
HETATM   58  H   UNL     1       2.408  -1.926  -2.212  1.00  0.00           H  
HETATM   59  H   UNL     1       1.757   0.072   0.004  1.00  0.00           H  
HETATM   60  H   UNL     1       0.748   2.411  -2.416  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.112   1.641  -1.062  1.00  0.00           H  
HETATM   62  H   UNL     1       1.566   2.194  -0.850  1.00  0.00           H  
HETATM   63  H   UNL     1       3.529  -3.204  -0.427  1.00  0.00           H  
HETATM   64  H   UNL     1       3.225  -2.437   1.815  1.00  0.00           H  
HETATM   65  H   UNL     1       1.162  -3.714  -0.900  1.00  0.00           H  
HETATM   66  H   UNL     1       2.353  -4.874   0.984  1.00  0.00           H  
HETATM   67  H   UNL     1       1.691  -3.660   2.105  1.00  0.00           H  
HETATM   68  H   UNL     1       0.300  -5.598   1.968  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.063  -1.749  -1.637  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.764   0.589   1.790  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.420   1.821  -1.742  1.00  0.00           H  
CONECT    1   18   18   13   14                                       
CONECT    2    3    6   39   45                                       
CONECT    3   38    2   46   47                                       
CONECT    4   38    5   48   49                                       
CONECT    5    4   36    6   50                                       
CONECT    6    5    2   37   51                                       
CONECT    7   39    8    8   52                                       
CONECT    8    7    7   41    9                                       
CONECT    9    8   10   10   42                                       
CONECT   10    9    9   44   53                                       
CONECT   11   44   44   43   54                                       
CONECT   12   17   16   13   13                                       
CONECT   13   12   12    1   15                                       
CONECT   14    1                                                      
CONECT   15   13                                                      
CONECT   16   12                                                      
CONECT   17   19   19   12   55                                       
CONECT   18   19    1    1   56                                       
CONECT   19   20   17   17   18                                       
CONECT   20   22   21   21   19                                       
CONECT   21   24   20   20   57                                       
CONECT   22   23   23   20                                            
CONECT   23   22   22   24                                            
CONECT   24   23   25   21                                            
CONECT   25   24   26   29   58                                       
CONECT   26   27   25   35   59                                       
CONECT   27   28   26                                                 
CONECT   28   27   60   61   62                                       
CONECT   29   25   31   30   63                                       
CONECT   30   29   64                                                 
CONECT   31   29   34   32   65                                       
CONECT   32   31   33   66   67                                       
CONECT   33   32   68                                                 
CONECT   34   35   31                                                 
CONECT   35   26   36   34   69                                       
CONECT   36   35    5                                                 
CONECT   37    6   70                                                 
CONECT   38    4    3                                                 
CONECT   39    2   40    7                                            
CONECT   40   39   41   41                                            
CONECT   41   40   40    8                                            
CONECT   42    9   43   43   71                                       
CONECT   43   42   42   11                                            
CONECT   44   10   11   11                                            
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   21                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   35                                                      
CONECT   70   37                                                      
CONECT   71   42                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
