COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.474   1.724  -0.436  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.882   2.071   0.768  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.757   1.397   1.205  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.220   0.376   0.444  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.805   0.024  -0.758  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.936   0.692  -1.199  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.580   2.386  -0.868  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.080   3.430  -0.030  1.00  0.00           C  
HETATM    9  F   UNL     1      -5.422   2.901   1.220  1.00  0.00           F  
HETATM   10  F   UNL     1      -4.095   4.410   0.132  1.00  0.00           F  
HETATM   11  O   UNL     1      -3.513   0.347  -2.382  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.900  -0.713  -3.118  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.683  -0.957  -4.409  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.117  -1.979  -5.397  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.364  -2.317  -4.577  1.00  0.00           C  
HETATM   16  C   UNL     1       0.010  -0.351   0.922  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.340  -4.723   2.362  1.00  0.00           O1-
HETATM   18  C   UNL     1       1.123   1.883   1.179  1.00  0.00           C  
HETATM   19  C   UNL     1       2.378   2.367   1.055  1.00  0.00           C  
HETATM   20  C   UNL     1       3.218   1.299   0.685  1.00  0.00           C  
HETATM   21  N   UNL     1       2.478   0.214   0.593  1.00  0.00           N  
HETATM   22  N   UNL     1       1.156   0.562   0.900  1.00  0.00           N  
HETATM   23  C   UNL     1       4.680   1.382   0.441  1.00  0.00           C  
HETATM   24  C   UNL     1       5.393   0.242   0.080  1.00  0.00           C  
HETATM   25  C   UNL     1       6.758   0.327  -0.147  1.00  0.00           C  
HETATM   26  C   UNL     1       7.410   1.546  -0.013  1.00  0.00           C  
HETATM   27  C   UNL     1       6.702   2.677   0.347  1.00  0.00           C  
HETATM   28  C   UNL     1       5.341   2.602   0.569  1.00  0.00           C  
HETATM   29  N   UNL     1       7.479  -0.816  -0.510  1.00  0.00           N  
HETATM   30  C   UNL     1       6.910  -1.750  -1.299  1.00  0.00           C  
HETATM   31  O   UNL     1       5.747  -1.642  -1.623  1.00  0.00           O  
HETATM   32  C   UNL     1      -0.216  -0.852   2.350  1.00  0.00           C  
HETATM   33  C   UNL     1       7.720  -2.927  -1.778  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.314  -1.883   2.353  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.025  -3.228   2.181  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.058  -4.146   2.190  1.00  0.00           C  
HETATM   37  N   UNL     1      -3.307  -3.754   2.359  1.00  0.00           N1+
HETATM   38  C   UNL     1      -3.619  -2.482   2.525  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.638  -1.510   2.534  1.00  0.00           C  
HETATM   40  H   UNL     1      -3.300   2.869   1.364  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.297   1.669   2.144  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.383  -0.774  -1.351  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.963   3.874  -0.490  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.873  -0.440  -3.362  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.901  -1.622  -2.516  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.191  -0.085  -4.823  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.252  -1.780  -6.460  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.186  -2.477  -5.127  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.253  -3.038  -3.768  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.319  -2.341  -5.101  1.00  0.00           H  
HETATM   51  H   UNL     1       0.209  -1.199   0.267  1.00  0.00           H  
HETATM   52  H   UNL     1       0.247   2.451   1.456  1.00  0.00           H  
HETATM   53  H   UNL     1       2.682   3.391   1.211  1.00  0.00           H  
HETATM   54  H   UNL     1       4.884  -0.705  -0.024  1.00  0.00           H  
HETATM   55  H   UNL     1       8.474   1.610  -0.189  1.00  0.00           H  
HETATM   56  H   UNL     1       7.212   3.623   0.447  1.00  0.00           H  
HETATM   57  H   UNL     1       4.791   3.488   0.849  1.00  0.00           H  
HETATM   58  H   UNL     1       8.389  -0.937  -0.195  1.00  0.00           H  
HETATM   59  H   UNL     1       0.704  -1.299   2.728  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.501  -0.015   2.988  1.00  0.00           H  
HETATM   61  H   UNL     1       7.635  -3.743  -1.061  1.00  0.00           H  
HETATM   62  H   UNL     1       7.346  -3.254  -2.748  1.00  0.00           H  
HETATM   63  H   UNL     1       8.766  -2.634  -1.872  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.005  -3.555   2.042  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.841  -5.195   2.056  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.652  -2.199   2.660  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.899  -0.471   2.670  1.00  0.00           H  
CONECT    1    6    6    2    7                                       
CONECT    2    3    3    1   40                                       
CONECT    3    4    2    2   41                                       
CONECT    4   16    5    5    3                                       
CONECT    5    4    4    6   42                                       
CONECT    6    5   11    1    1                                       
CONECT    7    1    8                                                 
CONECT    8    7   10    9   43                                       
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    6   12                                                 
CONECT   12   11   13   44   45                                       
CONECT   13   12   15   14   46                                       
CONECT   14   15   13   47   48                                       
CONECT   15   13   14   49   50                                       
CONECT   16   22   32    4   51                                       
CONECT   17   37                                                      
CONECT   18   19   19   22   52                                       
CONECT   19   20   18   18   53                                       
CONECT   20   19   23   21   21                                       
CONECT   21   20   20   22                                            
CONECT   22   18   21   16                                            
CONECT   23   28   20   24   24                                       
CONECT   24   23   23   25   54                                       
CONECT   25   26   26   24   29                                       
CONECT   26   27   25   25   55                                       
CONECT   27   28   28   26   56                                       
CONECT   28   27   27   23   57                                       
CONECT   29   25   30   58                                            
CONECT   30   31   31   29   33                                       
CONECT   31   30   30                                                 
CONECT   32   34   16   59   60                                       
CONECT   33   30   61   62   63                                       
CONECT   34   35   35   39   32                                       
CONECT   35   36   34   34   64                                       
CONECT   36   37   37   35   65                                       
CONECT   37   17   36   36   38                                       
CONECT   38   37   39   39   66                                       
CONECT   39   38   38   34   67                                       
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    5                                                      
CONECT   43    8                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   24                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
CONECT   66   38                                                      
CONECT   67   39                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
