COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -8.096  -5.068   0.975  1.00  0.00           O  
HETATM    2  C   UNL     1      -8.420  -4.189   1.750  1.00  0.00           C  
HETATM    3  N   UNL     1      -9.213  -4.477   2.801  1.00  0.00           N  
HETATM    4  C   UNL     1      -7.937  -2.807   1.545  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.298  -1.788   2.434  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.820  -0.511   2.196  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.009  -0.285   1.099  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.110  -2.497   0.464  1.00  0.00           C  
HETATM    9  N   UNL     1      -6.685  -1.265   0.277  1.00  0.00           N1+
HETATM   10  C   UNL     1      -5.824  -0.976  -0.872  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.655  -0.340  -2.003  1.00  0.00           C  
HETATM   12  F   UNL     1      -6.600  -1.131  -3.155  1.00  0.00           F  
HETATM   13  C   UNL     1      -5.974   1.028  -2.251  1.00  0.00           C  
HETATM   14  O   UNL     1      -5.897   1.314  -3.649  1.00  0.00           O  
HETATM   15  O   UNL     1      -4.811  -0.028  -0.496  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.561   0.800  -1.655  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.930   2.131  -1.241  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.588   1.906  -0.805  1.00  0.00           O  
HETATM   19  P   UNL     1      -1.621   3.089  -0.296  1.00  0.00           P  
HETATM   20  O   UNL     1      -1.532   4.185  -1.381  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.193   3.697   1.004  1.00  0.00           O1-
HETATM   22  O   UNL     1      -0.152   2.496  -0.009  1.00  0.00           O  
HETATM   23  P   UNL     1       1.298   3.159   0.211  1.00  0.00           P  
HETATM   24  O   UNL     1       1.179   4.309   1.136  1.00  0.00           O  
HETATM   25  O   UNL     1       1.877   3.667  -1.203  1.00  0.00           O  
HETATM   26  O   UNL     1       2.299   2.066   0.839  1.00  0.00           O  
HETATM   27  C   UNL     1       3.633   2.375   1.248  1.00  0.00           C  
HETATM   28  C   UNL     1       4.303   1.114   1.797  1.00  0.00           C  
HETATM   29  O   UNL     1       4.478   0.154   0.742  1.00  0.00           O  
HETATM   30  C   UNL     1       5.707  -0.553   1.014  1.00  0.00           C  
HETATM   31  C   UNL     1       6.660   0.561   1.519  1.00  0.00           C  
HETATM   32  O   UNL     1       7.687   0.015   2.350  1.00  0.00           O  
HETATM   33  C   UNL     1       5.704   1.459   2.339  1.00  0.00           C  
HETATM   34  O   UNL     1       5.793   1.146   3.730  1.00  0.00           O  
HETATM   35  N   UNL     1       6.232  -1.166  -0.208  1.00  0.00           N  
HETATM   36  C   UNL     1       5.973  -0.767  -1.486  1.00  0.00           C  
HETATM   37  N   UNL     1       6.602  -1.535  -2.327  1.00  0.00           N  
HETATM   38  C   UNL     1       7.302  -2.473  -1.645  1.00  0.00           C  
HETATM   39  C   UNL     1       8.142  -3.539  -2.010  1.00  0.00           C  
HETATM   40  N   UNL     1       8.406  -3.809  -3.342  1.00  0.00           N  
HETATM   41  C   UNL     1       7.077  -2.244  -0.278  1.00  0.00           C  
HETATM   42  N   UNL     1       7.664  -3.036   0.615  1.00  0.00           N  
HETATM   43  C   UNL     1       8.447  -4.019   0.227  1.00  0.00           C  
HETATM   44  N   UNL     1       8.679  -4.281  -1.047  1.00  0.00           N  
HETATM   45  H   UNL     1      -9.527  -5.384   2.938  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.472  -3.776   3.420  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.933  -1.992   3.283  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.078   0.301   2.861  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.634   0.711   0.911  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.820  -3.274  -0.228  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.358  -1.895  -1.226  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.688  -0.201  -1.685  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.496   1.825  -1.721  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.758   1.376  -4.085  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.924   0.277  -2.368  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.926   2.811  -2.093  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.508   2.570  -0.428  1.00  0.00           H  
HETATM   58  H   UNL     1       1.981   2.964  -1.860  1.00  0.00           H  
HETATM   59  H   UNL     1       4.198   2.744   0.392  1.00  0.00           H  
HETATM   60  H   UNL     1       3.607   3.140   2.024  1.00  0.00           H  
HETATM   61  H   UNL     1       3.691   0.685   2.591  1.00  0.00           H  
HETATM   62  H   UNL     1       5.553  -1.308   1.785  1.00  0.00           H  
HETATM   63  H   UNL     1       7.091   1.112   0.683  1.00  0.00           H  
HETATM   64  H   UNL     1       8.309   0.673   2.690  1.00  0.00           H  
HETATM   65  H   UNL     1       5.930   2.512   2.169  1.00  0.00           H  
HETATM   66  H   UNL     1       6.654   1.343   4.124  1.00  0.00           H  
HETATM   67  H   UNL     1       5.340   0.064  -1.760  1.00  0.00           H  
HETATM   68  H   UNL     1       8.009  -3.260  -4.036  1.00  0.00           H  
HETATM   69  H   UNL     1       8.987  -4.547  -3.581  1.00  0.00           H  
HETATM   70  H   UNL     1       8.908  -4.644   0.978  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   45   46                                            
CONECT    4    2    8    5    5                                       
CONECT    5    4    4    6   47                                       
CONECT    6    5    7    7   48                                       
CONECT    7    6    6    9   49                                       
CONECT    8    4    9    9   50                                       
CONECT    9    7    8    8   10                                       
CONECT   10    9   51   11   15                                       
CONECT   11   10   12   52   13                                       
CONECT   12   11                                                      
CONECT   13   11   14   53   16                                       
CONECT   14   13   54                                                 
CONECT   15   10   16                                                 
CONECT   16   13   15   55   17                                       
CONECT   17   16   18   56   57                                       
CONECT   18   17   19                                                 
CONECT   19   18   21   20   20                                       
CONECT   19   22                                                      
CONECT   20   19   19                                                 
CONECT   21   19                                                      
CONECT   22   19   23                                                 
CONECT   23   22   26   24   24                                       
CONECT   23   25                                                      
CONECT   24   23   23                                                 
CONECT   25   23   58                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28   59   60                                       
CONECT   28   27   29   61   33                                       
CONECT   29   28   30                                                 
CONECT   30   29   35   62   31                                       
CONECT   31   30   63   32   33                                       
CONECT   32   31   64                                                 
CONECT   33   28   31   65   34                                       
CONECT   34   33   66                                                 
CONECT   35   30   41   36                                            
CONECT   36   35   37   37   67                                       
CONECT   37   36   36   38                                            
CONECT   38   37   39   41   41                                       
CONECT   39   38   40   44   44                                       
CONECT   40   39   68   69                                            
CONECT   41   35   38   38   42                                       
CONECT   42   41   43   43                                            
CONECT   43   42   42   44   70                                       
CONECT   44   39   39   43                                            
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   25                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   36                                                      
CONECT   68   40                                                      
CONECT   69   40                                                      
CONECT   70   43                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
