COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.425  -0.353  -0.455  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.237  -3.258   0.967  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.568   0.189  -1.304  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.066   0.113  -1.452  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.631  -0.370  -2.618  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.016  -0.422  -2.711  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.782   0.007  -1.646  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.961   0.075   1.828  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.659   3.217   1.720  1.00  0.00           C  
HETATM   10  N   UNL     1       2.311   0.604  -0.922  1.00  0.00           N  
HETATM   11  C   UNL     1       4.232  -0.860  -0.865  1.00  0.00           C  
HETATM   12  C   UNL     1       5.876   1.318  -0.371  1.00  0.00           C  
HETATM   13  C   UNL     1       6.418   0.043  -0.472  1.00  0.00           C  
HETATM   14  C   UNL     1       8.555   0.803   0.261  1.00  0.00           C  
HETATM   15  C   UNL     1       7.933   2.065   0.794  1.00  0.00           C  
HETATM   16  C   UNL     1       6.776   2.497  -0.108  1.00  0.00           C  
HETATM   17  N   UNL     1       1.892  -1.381   0.238  1.00  0.00           N  
HETATM   18  N   UNL     1       0.132  -0.214  -0.708  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.743  -1.115  -0.273  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.280  -2.213   0.455  1.00  0.00           C  
HETATM   21  C   UNL     1       1.075  -2.313   0.706  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.094  -0.967  -0.539  1.00  0.00           N  
HETATM   23  F   UNL     1      -0.526  -4.244   1.659  1.00  0.00           F  
HETATM   24  F   UNL     1      -2.164  -2.660   1.827  1.00  0.00           F  
HETATM   25  F   UNL     1      -1.911  -3.840  -0.112  1.00  0.00           F  
HETATM   26  N   UNL     1      -6.215   0.464  -0.546  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.899   0.523  -0.416  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.344   1.006   0.764  1.00  0.00           N  
HETATM   29  S   UNL     1      -4.115   2.634   0.966  1.00  0.00           S  
HETATM   30  O   UNL     1      -3.985   3.136  -0.357  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.042   2.724   1.893  1.00  0.00           O  
HETATM   32  C   UNL     1       3.690   0.416  -0.769  1.00  0.00           C  
HETATM   33  C   UNL     1       5.591  -1.046  -0.714  1.00  0.00           C  
HETATM   34  C   UNL     1       4.516   1.504  -0.521  1.00  0.00           C  
HETATM   35  N   UNL     1       7.799  -0.141  -0.329  1.00  0.00           N  
HETATM   36  O   UNL     1       9.752   0.634   0.365  1.00  0.00           O  
HETATM   37  H   UNL     1      -2.105   0.187  -2.290  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.301   1.106  -0.779  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.010  -0.700  -3.438  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.489  -0.794  -3.609  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.859  -0.032  -1.714  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.902  -0.164   1.738  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.149   0.535   2.798  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.549  -0.839   1.739  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.814   2.707   2.670  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.596   4.292   1.890  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.493   3.003   1.052  1.00  0.00           H  
HETATM   48  H   UNL     1       1.976   1.405  -1.355  1.00  0.00           H  
HETATM   49  H   UNL     1       3.588  -1.707  -1.053  1.00  0.00           H  
HETATM   50  H   UNL     1       7.559   1.887   1.803  1.00  0.00           H  
HETATM   51  H   UNL     1       8.683   2.856   0.821  1.00  0.00           H  
HETATM   52  H   UNL     1       7.172   2.870  -1.052  1.00  0.00           H  
HETATM   53  H   UNL     1       6.207   3.286   0.384  1.00  0.00           H  
HETATM   54  H   UNL     1       1.465  -3.145   1.274  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.727  -1.629  -0.218  1.00  0.00           H  
HETATM   56  H   UNL     1       6.011  -2.038  -0.785  1.00  0.00           H  
HETATM   57  H   UNL     1       4.095   2.496  -0.447  1.00  0.00           H  
HETATM   58  H   UNL     1       8.213  -0.955  -0.657  1.00  0.00           H  
CONECT    1   17   17   18   10                                       
CONECT    2   24   25   20   23                                       
CONECT    3   22    4   37   38                                       
CONECT    4    5    3   27   27                                       
CONECT    5    6    6    4   39                                       
CONECT    6    5    5    7   40                                       
CONECT    7    6   26   26   41                                       
CONECT    8   28   42   43   44                                       
CONECT    9   29   45   46   47                                       
CONECT   10    1   32   48                                            
CONECT   11   32   33   33   49                                       
CONECT   12   16   34   13   13                                       
CONECT   13   12   12   35   33                                       
CONECT   14   15   35   36   36                                       
CONECT   15   16   14   50   51                                       
CONECT   16   12   15   52   53                                       
CONECT   17   21    1    1                                            
CONECT   18    1   19   19                                            
CONECT   19   20   18   18   22                                       
CONECT   20    2   21   21   19                                       
CONECT   21   20   20   17   54                                       
CONECT   22   19    3   55                                            
CONECT   23    2                                                      
CONECT   24    2                                                      
CONECT   25    2                                                      
CONECT   26    7    7   27                                            
CONECT   27    4    4   26   28                                       
CONECT   28   27   29    8                                            
CONECT   29   31   31   28    9                                       
CONECT   29   30   30                                                 
CONECT   30   29   29                                                 
CONECT   31   29   29                                                 
CONECT   32   34   34   10   11                                       
CONECT   33   13   11   11   56                                       
CONECT   34   32   32   12   57                                       
CONECT   35   13   14   58                                            
CONECT   36   14   14                                                 
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   33                                                      
CONECT   57   34                                                      
CONECT   58   35                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
