COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       0.970   2.298  -0.363  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.460   0.343  -0.220  1.00  0.00           N  
HETATM    3  O   UNL     1       0.173   2.813   0.393  1.00  0.00           O  
HETATM    4  C   UNL     1       0.762   0.878  -0.824  1.00  0.00           C  
HETATM    5  C   UNL     1       1.958   0.023  -0.400  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.223  -2.938   1.398  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.730   1.294  -1.774  1.00  0.00           O  
HETATM    8  O   UNL     1      -6.218  -0.477  -0.945  1.00  0.00           O  
HETATM    9  O   UNL     1      -3.991   0.685  -2.026  1.00  0.00           O  
HETATM   10  O   UNL     1       6.208  -4.535   0.586  1.00  0.00           O  
HETATM   11  O   UNL     1       3.727   3.167   1.400  1.00  0.00           O  
HETATM   12  O   UNL     1       3.554   5.618   1.512  1.00  0.00           O  
HETATM   13  C   UNL     1       4.010  -3.726   1.005  1.00  0.00           C  
HETATM   14  C   UNL     1       5.195  -3.048  -0.971  1.00  0.00           C  
HETATM   15  C   UNL     1       2.932  -2.952   0.620  1.00  0.00           C  
HETATM   16  C   UNL     1       4.115  -2.276  -1.351  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.320  -1.423   1.588  1.00  0.00           C  
HETATM   18  C   UNL     1       1.806  -1.386  -0.975  1.00  0.00           C  
HETATM   19  C   UNL     1       2.242   4.376  -0.345  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.946  -0.557   1.782  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.695  -0.780   0.937  1.00  0.00           C  
HETATM   22  N   UNL     1       2.039   2.997  -0.793  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.655   0.570  -0.800  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.189  -0.394  -0.308  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.944   0.136  -0.945  1.00  0.00           C  
HETATM   26  B   UNL     1       3.205   4.387   0.895  1.00  0.00           B  
HETATM   27  C   UNL     1       5.146  -3.775   0.210  1.00  0.00           C  
HETATM   28  C   UNL     1       2.984  -2.228  -0.557  1.00  0.00           C  
HETATM   29  N   UNL     1      -5.151  -0.780   0.983  1.00  0.00           N  
HETATM   30  N   UNL     1      -2.767  -0.005  -0.302  1.00  0.00           N  
HETATM   31  H   UNL     1      -0.410  -0.176   0.599  1.00  0.00           H  
HETATM   32  H   UNL     1       0.669   0.859  -1.910  1.00  0.00           H  
HETATM   33  H   UNL     1       2.877   0.472  -0.776  1.00  0.00           H  
HETATM   34  H   UNL     1       1.998  -0.030   0.688  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.191  -3.170   0.334  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.317  -3.307   1.878  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.093  -3.417   1.848  1.00  0.00           H  
HETATM   38  H   UNL     1       6.178  -5.444   0.257  1.00  0.00           H  
HETATM   39  H   UNL     1       4.310   3.274   2.164  1.00  0.00           H  
HETATM   40  H   UNL     1       4.151   5.524   2.267  1.00  0.00           H  
HETATM   41  H   UNL     1       3.970  -4.288   1.926  1.00  0.00           H  
HETATM   42  H   UNL     1       6.078  -3.085  -1.592  1.00  0.00           H  
HETATM   43  H   UNL     1       2.048  -2.913   1.239  1.00  0.00           H  
HETATM   44  H   UNL     1       4.153  -1.710  -2.270  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.227  -1.054   1.108  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.353  -1.191   2.652  1.00  0.00           H  
HETATM   47  H   UNL     1       0.887  -1.835  -0.598  1.00  0.00           H  
HETATM   48  H   UNL     1       1.765  -1.333  -2.063  1.00  0.00           H  
HETATM   49  H   UNL     1       2.683   4.960  -1.153  1.00  0.00           H  
HETATM   50  H   UNL     1       1.283   4.811  -0.064  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.940  -1.250   2.624  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.948   0.466   2.159  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.817  -0.471   1.505  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.610  -1.839   0.693  1.00  0.00           H  
HETATM   55  H   UNL     1       2.674   2.586  -1.401  1.00  0.00           H  
CONECT    1    3    3    4   22                                       
CONECT    2    4   23   31                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   32                                       
CONECT    5    4   18   33   34                                       
CONECT    6   17   35   36   37                                       
CONECT    7   23   23                                                 
CONECT    8   24   24                                                 
CONECT    9   25   25                                                 
CONECT   10   27   38                                                 
CONECT   11   26   39                                                 
CONECT   12   26   40                                                 
CONECT   13   27   27   15   41                                       
CONECT   14   27   16   16   42                                       
CONECT   15   13   28   28   43                                       
CONECT   16   14   14   28   44                                       
CONECT   17    6   29   45   46                                       
CONECT   18    5   28   47   48                                       
CONECT   19   22   26   49   50                                       
CONECT   20   29   21   51   52                                       
CONECT   21   20   30   53   54                                       
CONECT   22    1   19   55                                            
CONECT   23    2    7    7   30                                       
CONECT   24    8    8   25   29                                       
CONECT   25    9    9   24   30                                       
CONECT   26   11   12   19                                            
CONECT   27   10   13   13   14                                       
CONECT   28   15   15   16   18                                       
CONECT   29   17   20   24                                            
CONECT   30   21   23   25                                            
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
