COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.014  -0.539   0.367  1.00  0.00           C  
HETATM    2  C   UNL     1       3.143  -1.531   0.815  1.00  0.00           C  
HETATM    3  C   UNL     1       3.589  -2.830   0.948  1.00  0.00           C  
HETATM    4  C   UNL     1       4.901  -3.149   0.636  1.00  0.00           C  
HETATM    5  C   UNL     1       2.789   5.299  -0.004  1.00  0.00           C  
HETATM    6  C   UNL     1       2.266   1.248  -0.187  1.00  0.00           C  
HETATM    7  C   UNL     1       0.270  -1.566  -1.670  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.173  -0.253  -0.426  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.487  -0.786  -0.393  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.874  -0.466   0.008  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.460   0.898   1.176  1.00  0.00           C  
HETATM   12  C   UNL     1       7.196  -2.520  -0.148  1.00  0.00           C  
HETATM   13  C   UNL     1       5.771  -2.167   0.190  1.00  0.00           C  
HETATM   14  C   UNL     1       5.333  -0.865   0.054  1.00  0.00           C  
HETATM   15  F   UNL     1       5.334  -4.422   0.767  1.00  0.00           F  
HETATM   16  C   UNL     1       3.538   0.856   0.217  1.00  0.00           C  
HETATM   17  N   UNL     1       4.255   1.960   0.446  1.00  0.00           N  
HETATM   18  C   UNL     1       3.507   3.030   0.210  1.00  0.00           C  
HETATM   19  C   UNL     1       3.775   4.410   0.297  1.00  0.00           C  
HETATM   20  C   UNL     1       1.525   4.842  -0.395  1.00  0.00           C  
HETATM   21  N   UNL     1       1.272   3.563  -0.482  1.00  0.00           N  
HETATM   22  N   UNL     1       2.260   2.619  -0.186  1.00  0.00           N  
HETATM   23  C   UNL     1       1.143   0.362  -0.544  1.00  0.00           C  
HETATM   24  C   UNL     1       1.343  -0.761  -1.363  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.937  -1.298  -1.206  1.00  0.00           N  
HETATM   26  N   UNL     1      -2.467  -0.016   0.036  1.00  0.00           N  
HETATM   27  O   UNL     1      -3.267  -1.743  -1.109  1.00  0.00           O  
HETATM   28  C   UNL     1      -5.150   0.635   0.826  1.00  0.00           C  
HETATM   29  N   UNL     1      -7.443   0.128   0.748  1.00  0.00           N1+
HETATM   30  O   UNL     1      -8.770   0.431   1.136  1.00  0.00           O1-
HETATM   31  C   UNL     1      -7.226  -0.917  -0.029  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.391  -1.758  -0.485  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.948  -1.252  -0.426  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.148   0.607  -0.063  1.00  0.00           C  
HETATM   35  H   UNL     1       2.120  -1.283   1.059  1.00  0.00           H  
HETATM   36  H   UNL     1       2.915  -3.599   1.295  1.00  0.00           H  
HETATM   37  H   UNL     1       2.980   6.360   0.063  1.00  0.00           H  
HETATM   38  H   UNL     1       0.416  -2.429  -2.303  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.682   1.743   1.810  1.00  0.00           H  
HETATM   40  H   UNL     1       7.261  -2.800  -1.200  1.00  0.00           H  
HETATM   41  H   UNL     1       7.838  -1.660   0.040  1.00  0.00           H  
HETATM   42  H   UNL     1       7.519  -3.357   0.471  1.00  0.00           H  
HETATM   43  H   UNL     1       6.012  -0.100  -0.293  1.00  0.00           H  
HETATM   44  H   UNL     1       4.752   4.759   0.599  1.00  0.00           H  
HETATM   45  H   UNL     1       0.748   5.556  -0.627  1.00  0.00           H  
HETATM   46  H   UNL     1       2.326  -0.989  -1.748  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.633   0.702   0.666  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.351   1.269   1.180  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.777  -1.365  -1.425  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.061  -2.787  -0.630  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.176  -1.731   0.270  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.778  -2.108  -1.063  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.343   1.453   0.580  1.00  0.00           H  
CONECT    1   16   14   14    2                                       
CONECT    2    1    3    3   35                                       
CONECT    3    2    2    4   36                                       
CONECT    4   13   13    3   15                                       
CONECT    5   19   19   20   37                                       
CONECT    6   22   16   16   23                                       
CONECT    7   24   24   25   38                                       
CONECT    8   34   26   25   25                                       
CONECT    9   27   27   26   10                                       
CONECT   10    9   28   28   33                                       
CONECT   11   28   29   29   39                                       
CONECT   12   13   40   41   42                                       
CONECT   13   14   12    4    4                                       
CONECT   14    1    1   13   43                                       
CONECT   15    4                                                      
CONECT   16   17    1    6    6                                       
CONECT   17   18   18   16                                            
CONECT   18   19   17   17   22                                       
CONECT   19    5    5   18   44                                       
CONECT   20    5   21   21   45                                       
CONECT   21   20   20   22                                            
CONECT   22   18   21    6                                            
CONECT   23    6   34   34   24                                       
CONECT   24   23    7    7   46                                       
CONECT   25    8    8    7                                            
CONECT   26    9    8   47                                            
CONECT   27    9    9                                                 
CONECT   28   10   10   11   48                                       
CONECT   29   11   11   31   30                                       
CONECT   30   29                                                      
CONECT   31   33   33   29   32                                       
CONECT   32   31   49   50   51                                       
CONECT   33   10   31   31   52                                       
CONECT   34   23   23    8   53                                       
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   24                                                      
CONECT   47   26                                                      
CONECT   48   28                                                      
CONECT   49   32                                                      
CONECT   50   32                                                      
CONECT   51   32                                                      
CONECT   52   33                                                      
CONECT   53   34                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
