COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       4.523  -0.554   2.765  1.00  0.00           C  
HETATM    2  C   UNL     1       5.079  -0.428   1.370  1.00  0.00           C  
HETATM    3  C   UNL     1       4.391  -0.080   0.242  1.00  0.00           C  
HETATM    4  C   UNL     1       5.382  -0.113  -0.780  1.00  0.00           C  
HETATM    5  C   UNL     1       5.182   0.189  -2.243  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.896   3.707   0.024  1.00  0.00           N  
HETATM    7  C   UNL     1       2.021  -0.759  -0.156  1.00  0.00           C  
HETATM    8  C   UNL     1       1.437  -3.027  -0.567  1.00  0.00           C  
HETATM    9  C   UNL     1       0.682  -0.452  -0.277  1.00  0.00           C  
HETATM   10  C   UNL     1       0.254   0.868  -0.133  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.062   1.518  -0.200  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.846   2.890   0.032  1.00  0.00           C  
HETATM   13  C   UNL     1       1.183   1.886   0.137  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.371   1.072  -0.429  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.269  -0.452   1.169  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.156  -1.172   1.913  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.298  -2.393  -1.908  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.814  -2.442  -0.161  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.736  -3.152   0.628  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.387  -2.519   1.642  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.011  -1.048  -1.702  1.00  0.00           C  
HETATM   22  N   UNL     1       6.493  -0.457  -0.199  1.00  0.00           N  
HETATM   23  O   UNL     1       6.348  -0.629   0.988  1.00  0.00           O  
HETATM   24  C   UNL     1       2.951   0.254   0.112  1.00  0.00           C  
HETATM   25  C   UNL     1       2.530   1.570   0.257  1.00  0.00           C  
HETATM   26  N   UNL     1       0.498   3.089   0.230  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.110   3.245  -0.197  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.263   4.215  -0.196  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.357   1.970  -0.418  1.00  0.00           N  
HETATM   30  O   UNL     1       2.439  -2.046  -0.296  1.00  0.00           O  
HETATM   31  C   UNL     1      -2.651  -0.359  -0.679  1.00  0.00           C  
HETATM   32  N   UNL     1      -3.161  -3.040  -1.162  1.00  0.00           N  
HETATM   33  C   UNL     1      -3.581  -1.073   0.119  1.00  0.00           C  
HETATM   34  H   UNL     1       4.175  -1.574   2.927  1.00  0.00           H  
HETATM   35  H   UNL     1       5.302  -0.317   3.490  1.00  0.00           H  
HETATM   36  H   UNL     1       3.690   0.139   2.888  1.00  0.00           H  
HETATM   37  H   UNL     1       5.349   1.252  -2.420  1.00  0.00           H  
HETATM   38  H   UNL     1       5.889  -0.393  -2.834  1.00  0.00           H  
HETATM   39  H   UNL     1       4.165  -0.072  -2.532  1.00  0.00           H  
HETATM   40  H   UNL     1       0.713  -3.042   0.247  1.00  0.00           H  
HETATM   41  H   UNL     1       0.930  -2.781  -1.500  1.00  0.00           H  
HETATM   42  H   UNL     1       1.904  -4.008  -0.655  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.035  -1.234  -0.483  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.101   0.592   1.386  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.685  -0.693   2.723  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.796  -2.920  -2.706  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.927  -4.197   0.430  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.094  -3.069   2.245  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.296  -0.541  -2.332  1.00  0.00           H  
HETATM   50  H   UNL     1       3.250   2.347   0.464  1.00  0.00           H  
HETATM   51  H   UNL     1       0.910   3.949   0.410  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.415   4.600  -1.205  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.167   3.706   0.139  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.042   5.043   0.479  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2   23    1    3    3                                       
CONECT    3    4    2    2   24                                       
CONECT    4   22   22    5    3                                       
CONECT    5    4   37   38   39                                       
CONECT    6   12   12   27                                            
CONECT    7   24   30    9    9                                       
CONECT    8   30   40   41   42                                       
CONECT    9    7    7   10   43                                       
CONECT   10   13   13    9   11                                       
CONECT   11   12   10   14   14                                       
CONECT   12   26    6    6   11                                       
CONECT   13   25   26   10   10                                       
CONECT   14   11   11   29   31                                       
CONECT   15   33   33   16   44                                       
CONECT   16   15   20   20   45                                       
CONECT   17   21   32   32   46                                       
CONECT   18   33   32   19   19                                       
CONECT   19   18   18   20   47                                       
CONECT   20   16   16   19   48                                       
CONECT   21   31   31   17   49                                       
CONECT   22   23    4    4                                            
CONECT   23   22    2                                                 
CONECT   24    3   25   25    7                                       
CONECT   25   24   24   13   50                                       
CONECT   26   13   12   51                                            
CONECT   27    6   28   29   29                                       
CONECT   28   27   52   53   54                                       
CONECT   29   27   27   14                                            
CONECT   30    7    8                                                 
CONECT   31   14   21   21   33                                       
CONECT   32   17   17   18                                            
CONECT   33   31   15   15   18                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
