COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.113  -2.123   0.207  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.628  -3.376   0.572  1.00  0.00           C  
HETATM    3  C   UNL     1       0.242  -4.444   0.661  1.00  0.00           C  
HETATM    4  N   UNL     1       1.528  -4.257   0.399  1.00  0.00           N  
HETATM    5  N   UNL     1       1.194  -2.012  -0.047  1.00  0.00           N  
HETATM    6  C   UNL     1       6.320  -4.257  -1.680  1.00  0.00           C  
HETATM    7  C   UNL     1       6.779  -4.672  -0.281  1.00  0.00           C  
HETATM    8  C   UNL     1       5.667  -3.633  -0.444  1.00  0.00           C  
HETATM    9  C   UNL     1       4.239  -4.067  -0.105  1.00  0.00           C  
HETATM   10  N   UNL     1       3.341  -2.914  -0.208  1.00  0.00           N  
HETATM   11  C   UNL     1       1.991  -3.063   0.056  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.998  -0.953   0.098  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.353  -0.965  -0.148  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.239  -1.981  -0.352  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.545  -1.721  -0.577  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.510  -2.857  -0.801  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.007  -0.396  -0.602  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.465  -0.106  -0.853  1.00  0.00           C  
HETATM   19  N   UNL     1      -7.211  -0.227   0.407  1.00  0.00           N  
HETATM   20  C   UNL     1      -6.983   0.941   1.268  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.645  -0.421   0.152  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.132   0.627  -0.399  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.773   0.338  -0.166  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.728   1.127   0.057  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.632   0.382   0.229  1.00  0.00           C  
HETATM   26  C   UNL     1       0.733   0.889   0.506  1.00  0.00           C  
HETATM   27  C   UNL     1       1.161   2.088  -0.063  1.00  0.00           C  
HETATM   28  C   UNL     1       1.589   0.171   1.340  1.00  0.00           C  
HETATM   29  C   UNL     1       2.860   0.645   1.598  1.00  0.00           C  
HETATM   30  C   UNL     1       3.288   1.832   1.030  1.00  0.00           C  
HETATM   31  F   UNL     1       4.533   2.290   1.286  1.00  0.00           F  
HETATM   32  C   UNL     1       2.438   2.557   0.200  1.00  0.00           C  
HETATM   33  N   UNL     1       2.874   3.756  -0.373  1.00  0.00           N  
HETATM   34  S   UNL     1       1.804   4.998  -0.609  1.00  0.00           S  
HETATM   35  O   UNL     1       2.606   6.061  -1.105  1.00  0.00           O  
HETATM   36  O   UNL     1       0.774   4.426  -1.403  1.00  0.00           O  
HETATM   37  C   UNL     1       1.188   5.386   1.052  1.00  0.00           C  
HETATM   38  H   UNL     1      -1.680  -3.502   0.781  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.121  -5.422   0.940  1.00  0.00           H  
HETATM   40  H   UNL     1       6.992  -3.629  -2.265  1.00  0.00           H  
HETATM   41  H   UNL     1       5.732  -4.976  -2.251  1.00  0.00           H  
HETATM   42  H   UNL     1       6.493  -5.664   0.069  1.00  0.00           H  
HETATM   43  H   UNL     1       7.754  -4.318   0.055  1.00  0.00           H  
HETATM   44  H   UNL     1       5.910  -2.595  -0.216  1.00  0.00           H  
HETATM   45  H   UNL     1       3.919  -4.840  -0.803  1.00  0.00           H  
HETATM   46  H   UNL     1       4.211  -4.460   0.911  1.00  0.00           H  
HETATM   47  H   UNL     1       3.693  -2.046  -0.460  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.892  -3.003  -0.334  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.962  -3.799  -0.821  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.240  -2.878   0.008  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.024  -2.715  -1.751  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.573   0.905  -1.243  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.857  -0.820  -1.577  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.218   1.851   0.716  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.623   0.874   2.148  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.938   0.964   1.579  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.791  -1.332  -0.429  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.174  -0.507   1.102  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.034   0.431  -0.404  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.476   1.651  -0.417  1.00  0.00           H  
HETATM   61  H   UNL     1       0.500   2.649  -0.706  1.00  0.00           H  
HETATM   62  H   UNL     1       1.258  -0.755   1.785  1.00  0.00           H  
HETATM   63  H   UNL     1       3.521   0.088   2.244  1.00  0.00           H  
HETATM   64  H   UNL     1       3.803   3.860  -0.632  1.00  0.00           H  
HETATM   65  H   UNL     1       0.703   4.506   1.474  1.00  0.00           H  
HETATM   66  H   UNL     1       2.021   5.682   1.689  1.00  0.00           H  
HETATM   67  H   UNL     1       0.469   6.203   0.991  1.00  0.00           H  
CONECT    1    2   12    5    5                                       
CONECT    2    3    3    1   38                                       
CONECT    3    2    2    4   39                                       
CONECT    4    3   11   11                                            
CONECT    5    1    1   11                                            
CONECT    6    8    7   40   41                                       
CONECT    7    8    6   42   43                                       
CONECT    8    9    7    6   44                                       
CONECT    9   10    8   45   46                                       
CONECT   10   11    9   47                                            
CONECT   11    4    4    5   10                                       
CONECT   12    1   25   25   13                                       
CONECT   13   12   23   14                                            
CONECT   14   13   15   15   48                                       
CONECT   15   14   14   17   16                                       
CONECT   16   15   49   50   51                                       
CONECT   17   22   22   15   18                                       
CONECT   18   17   19   52   53                                       
CONECT   19   21   18   20                                            
CONECT   20   19   54   55   56                                       
CONECT   21   19   57   58   59                                       
CONECT   22   23   17   17   60                                       
CONECT   23   24   24   13   22                                       
CONECT   24   25   23   23                                            
CONECT   25   26   12   12   24                                       
CONECT   26   28   28   27   25                                       
CONECT   27   32   32   26   61                                       
CONECT   28   29   26   26   62                                       
CONECT   29   30   30   28   63                                       
CONECT   30   31   29   29   32                                       
CONECT   31   30                                                      
CONECT   32   30   33   27   27                                       
CONECT   33   34   32   64                                            
CONECT   34   37   35   35   36                                       
CONECT   34   36   33                                                 
CONECT   35   34   34                                                 
CONECT   36   34   34                                                 
CONECT   37   34   65   66   67                                       
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   14                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   33                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
