COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.859  -1.563  -0.042  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.511  -1.347  -0.261  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.775  -0.571  -0.337  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.344   0.638  -0.850  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.996   0.855  -1.068  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.079  -0.135  -0.768  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.610   0.101  -1.006  1.00  0.00           C  
HETATM    8  N   UNL     1       0.053   0.380   0.271  1.00  0.00           N  
HETATM    9  C   UNL     1       0.084   1.747   0.797  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.346   2.269   0.945  1.00  0.00           C  
HETATM   11  C   UNL     1       0.847   2.633  -0.154  1.00  0.00           C  
HETATM   12  N   UNL     1       1.393   3.783   0.289  1.00  0.00           N  
HETATM   13  O   UNL     1       2.109   4.616  -0.604  1.00  0.00           O  
HETATM   14  O   UNL     1       0.971   2.311  -1.316  1.00  0.00           O  
HETATM   15  S   UNL     1       0.766  -0.851   1.119  1.00  0.00           S  
HETATM   16  O   UNL     1       0.790  -0.440   2.479  1.00  0.00           O  
HETATM   17  O   UNL     1       0.146  -2.052   0.681  1.00  0.00           O  
HETATM   18  C   UNL     1       2.446  -0.939   0.596  1.00  0.00           C  
HETATM   19  C   UNL     1       3.428  -0.280   1.313  1.00  0.00           C  
HETATM   20  C   UNL     1       4.746  -0.348   0.904  1.00  0.00           C  
HETATM   21  C   UNL     1       5.084  -1.077  -0.224  1.00  0.00           C  
HETATM   22  F   UNL     1       6.372  -1.145  -0.625  1.00  0.00           F  
HETATM   23  C   UNL     1       4.100  -1.737  -0.941  1.00  0.00           C  
HETATM   24  C   UNL     1       2.783  -1.672  -0.527  1.00  0.00           C  
HETATM   25  C   UNL     1       4.465  -2.531  -2.168  1.00  0.00           C  
HETATM   26  N   UNL     1      -6.218  -0.803  -0.103  1.00  0.00           N1+
HETATM   27  O   UNL     1      -7.025   0.071  -0.363  1.00  0.00           O  
HETATM   28  O   UNL     1      -6.598  -1.869   0.349  1.00  0.00           O1-
HETATM   29  H   UNL     1      -4.196  -2.509   0.355  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.796  -2.123  -0.035  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.060   1.411  -1.084  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.659   1.799  -1.469  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.168  -0.786  -1.459  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.483   0.952  -1.675  1.00  0.00           H  
HETATM   35  H   UNL     1       0.575   1.750   1.770  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.947   1.535   1.480  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.334   3.206   1.503  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.775   2.440  -0.043  1.00  0.00           H  
HETATM   39  H   UNL     1       1.294   4.041   1.219  1.00  0.00           H  
HETATM   40  H   UNL     1       2.463   5.418  -0.196  1.00  0.00           H  
HETATM   41  H   UNL     1       3.164   0.288   2.193  1.00  0.00           H  
HETATM   42  H   UNL     1       5.513   0.167   1.463  1.00  0.00           H  
HETATM   43  H   UNL     1       2.016  -2.190  -1.083  1.00  0.00           H  
HETATM   44  H   UNL     1       4.691  -3.558  -1.883  1.00  0.00           H  
HETATM   45  H   UNL     1       3.630  -2.523  -2.868  1.00  0.00           H  
HETATM   46  H   UNL     1       5.340  -2.085  -2.642  1.00  0.00           H  
CONECT    1    3    3    2   29                                       
CONECT    2    6    6    1   30                                       
CONECT    3    4   26    1    1                                       
CONECT    4    5    5    3   31                                       
CONECT    5    4    4    6   32                                       
CONECT    6    5    7    2    2                                       
CONECT    7    8    6   33   34                                       
CONECT    8   15    9    7                                            
CONECT    9   10    8   11   35                                       
CONECT   10    9   36   37   38                                       
CONECT   11    9   12   14   14                                       
CONECT   12   11   13   39                                            
CONECT   13   12   40                                                 
CONECT   14   11   11                                                 
CONECT   15   17   17   16   16                                       
CONECT   15    8   18                                                 
CONECT   16   15   15                                                 
CONECT   17   15   15                                                 
CONECT   18   15   19   19   24                                       
CONECT   19   18   18   20   41                                       
CONECT   20   19   21   21   42                                       
CONECT   21   20   20   23   22                                       
CONECT   22   21                                                      
CONECT   23   24   24   21   25                                       
CONECT   24   18   23   23   43                                       
CONECT   25   23   44   45   46                                       
CONECT   26   27   27    3   28                                       
CONECT   27   26   26                                                 
CONECT   28   26                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
