COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.735   1.191  -0.598  1.00  0.00           C  
HETATM    2  C   UNL     1       2.273   2.438   0.806  1.00  0.00           C  
HETATM    3  C   UNL     1       1.949   1.272   0.109  1.00  0.00           C  
HETATM    4  C   UNL     1       1.410   3.497   0.798  1.00  0.00           C  
HETATM    5  C   UNL     1       0.212   3.424   0.101  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.129   2.284  -0.593  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.800  -1.712   0.504  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.800   1.636   0.662  1.00  0.00           C  
HETATM    9  CA  UNL     1       1.802  -0.781  -0.883  1.00  0.00           C  
HETATM   10  C   UNL     1       2.081  -2.143  -1.336  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.994   3.633  -1.515  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.434   2.219  -1.344  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.059   0.188  -1.094  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.931  -0.247   0.088  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.398  -0.525  -0.239  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.315  -1.683   0.776  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.043  -2.950   0.322  1.00  0.00           C  
HETATM   18  C   UNL     1       2.630  -0.013  -0.083  1.00  0.00           C  
HETATM   19  C   UNL     1       3.943  -0.411   0.472  1.00  0.00           C  
HETATM   20  C   UNL     1       5.084  -0.690  -0.248  1.00  0.00           C  
HETATM   21  C   UNL     1       7.428  -1.376   0.301  1.00  0.00           C  
HETATM   22  C   UNL     1       4.260  -0.571   1.837  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.390   1.402  -0.594  1.00  0.00           N  
HETATM   24  N   UNL     1      -6.010  -3.947   1.399  1.00  0.00           N  
HETATM   25  N   UNL     1       0.669  -0.048  -1.190  1.00  0.00           N  
HETATM   26  N   UNL     1       6.050  -1.010   0.634  1.00  0.00           N  
HETATM   27  N   UNL     1       5.512  -0.928   1.924  1.00  0.00           N  
HETATM   28  O   UNL     1      -3.682   0.736   1.121  1.00  0.00           O  
HETATM   29  O   UNL     1      -2.408   2.577   1.324  1.00  0.00           O  
HETATM   30  O   UNL     1       3.114  -2.695  -1.004  1.00  0.00           O  
HETATM   31  OXT UNL     1       1.194  -2.788  -2.122  1.00  0.00           O  
HETATM   32  H   UNL     1       3.203   2.502   1.352  1.00  0.00           H  
HETATM   33  H   UNL     1       1.662   4.398   1.339  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.461   4.269   0.104  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.515  -2.374  -0.313  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.197  -1.860   1.400  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.162   4.078  -0.535  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.283   4.241  -2.074  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.938   3.586  -2.059  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.266   1.774  -2.325  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.327  -0.582  -1.335  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.675   0.417  -1.963  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.073   0.275   0.064  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.562  -0.854  -1.265  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.570  -1.390   1.794  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.079  -2.707   0.083  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.552  -3.354  -0.563  1.00  0.00           H  
HETATM   48  H   UNL     1       5.185  -0.658  -1.323  1.00  0.00           H  
HETATM   49  H   UNL     1       8.047  -0.479   0.275  1.00  0.00           H  
HETATM   50  H   UNL     1       7.814  -2.061   1.056  1.00  0.00           H  
HETATM   51  H   UNL     1       7.450  -1.861  -0.674  1.00  0.00           H  
HETATM   52  H   UNL     1       3.584  -0.422   2.666  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.485  -4.794   1.123  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.061  -4.141   1.683  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.065  -0.364  -1.739  1.00  0.00           H  
HETATM   56  HXT UNL     1       1.466  -3.682  -2.370  1.00  0.00           H  
CONECT    1    3   25    6    6                                       
CONECT    2    3    3    4   32                                       
CONECT    3   18    2    2    1                                       
CONECT    4    2    5    5   33                                       
CONECT    5    4    4    6   34                                       
CONECT    6    1    1    5   12                                       
CONECT    7   14   16   35   36                                       
CONECT    8   29   29   28   23                                       
CONECT    9   10   18   18   25                                       
CONECT   10   30   30    9   31                                       
CONECT   11   12   37   38   39                                       
CONECT   12    6   23   11   40                                       
CONECT   13   23   14   41   42                                       
CONECT   14   28   15   13    7                                       
CONECT   15   14   16   43   44                                       
CONECT   16   15    7   17   45                                       
CONECT   17   16   24   46   47                                       
CONECT   18   19    9    9    3                                       
CONECT   19   20   20   22   18                                       
CONECT   20   26   19   19   48                                       
CONECT   21   26   49   50   51                                       
CONECT   22   27   27   19   52                                       
CONECT   23    8   12   13                                            
CONECT   24   17   53   54                                            
CONECT   25    9    1   55                                            
CONECT   26   21   27   20                                            
CONECT   27   26   22   22                                            
CONECT   28    8   14                                                 
CONECT   29    8    8                                                 
CONECT   30   10   10                                                 
CONECT   31   10   56                                                 
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   31                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
