COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.447   1.081   1.635  1.00  0.00           O  
HETATM    2  C   UNL     1       2.256   0.482   0.598  1.00  0.00           C  
HETATM    3  N   UNL     1       3.297  -0.052  -0.073  1.00  0.00           N  
HETATM    4  C   UNL     1       4.657   0.090   0.452  1.00  0.00           C  
HETATM    5  C   UNL     1       5.516  -1.034  -0.066  1.00  0.00           C  
HETATM    6  C   UNL     1       6.437  -1.640   0.767  1.00  0.00           C  
HETATM    7  C   UNL     1       7.225  -2.672   0.291  1.00  0.00           C  
HETATM    8  C   UNL     1       7.091  -3.098  -1.017  1.00  0.00           C  
HETATM    9  C   UNL     1       6.169  -2.492  -1.850  1.00  0.00           C  
HETATM   10  C   UNL     1       5.378  -1.463  -1.373  1.00  0.00           C  
HETATM   11  C   UNL     1       5.241   1.429  -0.002  1.00  0.00           C  
HETATM   12  N   UNL     1       4.341   2.518   0.400  1.00  0.00           N  
HETATM   13  C   UNL     1       0.856   0.330   0.061  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.130   1.016   1.008  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.501   0.768   0.552  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.341  -0.225   0.863  1.00  0.00           C  
HETATM   17  C   UNL     1       0.131   2.522   1.013  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.300   3.172  -0.219  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.439   2.814  -0.859  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.864   3.441  -1.812  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.133   1.625  -0.341  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.377   1.156  -0.581  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.524  -0.025   0.181  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.728  -0.890   0.236  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.870  -0.579  -0.505  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.970  -1.413  -0.424  1.00  0.00           C  
HETATM   27  F   UNL     1      -8.081  -1.123  -1.136  1.00  0.00           F  
HETATM   28  N   UNL     1      -6.948  -2.490   0.341  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.888  -2.817   1.057  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.748  -2.043   1.029  1.00  0.00           C  
HETATM   31  H   UNL     1       3.145  -0.531  -0.902  1.00  0.00           H  
HETATM   32  H   UNL     1       0.793   0.789  -0.925  1.00  0.00           H  
HETATM   33  H   UNL     1       0.609  -0.729  -0.015  1.00  0.00           H  
HETATM   34  H   UNL     1       4.632   0.056   1.541  1.00  0.00           H  
HETATM   35  H   UNL     1       6.217   1.576   0.460  1.00  0.00           H  
HETATM   36  H   UNL     1       5.349   1.429  -1.087  1.00  0.00           H  
HETATM   37  H   UNL     1       6.542  -1.308   1.789  1.00  0.00           H  
HETATM   38  H   UNL     1       4.655  -0.992  -2.023  1.00  0.00           H  
HETATM   39  H   UNL     1       7.946  -3.145   0.942  1.00  0.00           H  
HETATM   40  H   UNL     1       7.707  -3.903  -1.389  1.00  0.00           H  
HETATM   41  H   UNL     1       6.065  -2.824  -2.872  1.00  0.00           H  
HETATM   42  H   UNL     1       4.173   2.500   1.395  1.00  0.00           H  
HETATM   43  H   UNL     1       4.705   3.414   0.111  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.004   0.621   2.015  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.402   2.969   1.852  1.00  0.00           H  
HETATM   46  H   UNL     1       1.199   2.694   1.146  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.130  -1.044   1.534  1.00  0.00           H  
HETATM   48  H   UNL     1       0.245   3.883  -0.590  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.117   1.599  -1.231  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.893   0.300  -1.132  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.883  -2.320   1.613  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.913  -3.706   1.669  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   13                                       
CONECT    3    2    4   31                                            
CONECT    4    3    5   11   34                                       
CONECT    5    4    6   10   10                                       
CONECT    6    5    7    7   37                                       
CONECT    7    6    6    8   39                                       
CONECT    8    7    9    9   40                                       
CONECT    9    8    8   10   41                                       
CONECT   10    5    5    9   38                                       
CONECT   11    4   12   35   36                                       
CONECT   12   11   42   43                                            
CONECT   13    2   14   32   33                                       
CONECT   14   13   15   17   44                                       
CONECT   15   14   16   21                                            
CONECT   16   15   23   23   47                                       
CONECT   17   14   18   45   46                                       
CONECT   18   17   19   48                                            
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   15   19   22   22                                       
CONECT   22   21   21   23   49                                       
CONECT   23   16   16   22   24                                       
CONECT   24   23   25   25   30                                       
CONECT   25   24   24   26   50                                       
CONECT   26   25   27   28   28                                       
CONECT   27   26                                                      
CONECT   28   26   26   29                                            
CONECT   29   28   30   30   52                                       
CONECT   30   24   29   29   51                                       
CONECT   31    3                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34    4                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37    6                                                      
CONECT   38   10                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   14                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   16                                                      
CONECT   48   18                                                      
CONECT   49   22                                                      
CONECT   50   25                                                      
CONECT   51   30                                                      
CONECT   52   29                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
