COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.903   5.118  -1.458  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.935   4.736  -0.312  1.00  0.00           C  
HETATM    3  CA  UNL     1      -3.625   3.441   0.031  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.532   3.064  -1.062  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.579   2.342   0.228  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.266   1.065   0.716  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.283  -0.025   0.784  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.951  -1.330   0.874  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.711  -1.605  -0.425  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.405  -2.965  -0.331  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.166  -3.240  -1.630  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.860  -4.600  -1.536  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.621  -4.875  -2.835  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.356   0.171   1.906  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.132  -0.727   1.719  1.00  0.00           C  
HETATM   16  O   UNL     1       0.615  -0.322   0.551  1.00  0.00           O  
HETATM   17  C   UNL     1       1.941  -0.862   0.742  1.00  0.00           C  
HETATM   18  C   UNL     1       2.246  -0.640   2.240  1.00  0.00           C  
HETATM   19  O   UNL     1       2.979  -1.746   2.771  1.00  0.00           O  
HETATM   20  C   UNL     1       0.851  -0.549   2.898  1.00  0.00           C  
HETATM   21  O   UNL     1       0.680  -1.597   3.855  1.00  0.00           O  
HETATM   22  N   UNL     1       2.909  -0.141  -0.088  1.00  0.00           N  
HETATM   23  C   UNL     1       2.787   1.138  -0.543  1.00  0.00           C  
HETATM   24  N   UNL     1       3.831   1.460  -1.251  1.00  0.00           N  
HETATM   25  C   UNL     1       4.687   0.411  -1.295  1.00  0.00           C  
HETATM   26  C   UNL     1       5.940   0.182  -1.888  1.00  0.00           C  
HETATM   27  N   UNL     1       6.558   1.166  -2.639  1.00  0.00           N  
HETATM   28  C   UNL     1       4.109  -0.627  -0.544  1.00  0.00           C  
HETATM   29  N   UNL     1       4.759  -1.781  -0.430  1.00  0.00           N  
HETATM   30  C   UNL     1       5.927  -1.953  -1.010  1.00  0.00           C  
HETATM   31  N   UNL     1       6.517  -1.002  -1.712  1.00  0.00           N  
HETATM   32  OXT UNL     1      -2.352   5.462   0.654  1.00  0.00           O  
HETATM   33  HA  UNL     1      -4.197   3.566   0.951  1.00  0.00           H  
HETATM   34  H1  UNL     1      -5.271   3.743  -1.169  1.00  0.00           H  
HETATM   35  H2  UNL     1      -4.025   2.942  -1.926  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.077   2.144  -0.720  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.846   2.666   0.966  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.688   1.236   1.707  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.063   0.793   0.024  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.204  -2.110   1.030  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.650  -1.324   1.710  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.457  -0.826  -0.581  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.011  -1.612  -1.261  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.659  -3.744  -0.175  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.105  -2.959   0.505  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.912  -2.461  -1.787  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.466  -3.247  -2.466  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.115  -5.379  -1.380  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.560  -4.594  -0.700  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.921  -4.882  -3.671  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.116  -5.844  -2.768  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.367  -4.096  -2.992  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.040   1.214   1.939  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.856  -0.086   2.840  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.437  -1.770   1.634  1.00  0.00           H  
HETATM   56  H   UNL     1       1.956  -1.926   0.505  1.00  0.00           H  
HETATM   57  H   UNL     1       2.799   0.288   2.384  1.00  0.00           H  
HETATM   58  H   UNL     1       3.197  -1.659   3.709  1.00  0.00           H  
HETATM   59  H   UNL     1       0.712   0.425   3.367  1.00  0.00           H  
HETATM   60  H   UNL     1       1.272  -1.534   4.616  1.00  0.00           H  
HETATM   61  H   UNL     1       1.948   1.788  -0.346  1.00  0.00           H  
HETATM   62  H   UNL     1       6.127   2.026  -2.760  1.00  0.00           H  
HETATM   63  H   UNL     1       7.423   0.996  -3.043  1.00  0.00           H  
HETATM   64  H   UNL     1       6.429  -2.902  -0.897  1.00  0.00           H  
HETATM   65  HXT UNL     1      -1.854   6.243   0.377  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   32                                       
CONECT    3    4    2    5   33                                       
CONECT    4    3   34   35                                            
CONECT    5    3    6   36   37                                       
CONECT    6    5    7   38   39                                       
CONECT    7    6   14    8                                            
CONECT    8    7    9   40   41                                       
CONECT    9    8   10   42   43                                       
CONECT   10    9   11   44   45                                       
CONECT   11   10   12   46   47                                       
CONECT   12   11   13   48   49                                       
CONECT   13   12   50   51   52                                       
CONECT   14   15    7   53   54                                       
CONECT   15   16   14   20   55                                       
CONECT   16   17   15                                                 
CONECT   17   22   16   18   56                                       
CONECT   18   17   19   20   57                                       
CONECT   19   18   58                                                 
CONECT   20   18   15   21   59                                       
CONECT   21   20   60                                                 
CONECT   22   28   23   17                                            
CONECT   23   24   24   22   61                                       
CONECT   24   25   23   23                                            
CONECT   25   26   28   28   24                                       
CONECT   26   27   31   31   25                                       
CONECT   27   26   62   63                                            
CONECT   28   25   25   29   22                                       
CONECT   29   30   30   28                                            
CONECT   30   31   29   29   64                                       
CONECT   31   26   26   30                                            
CONECT   32    2   65                                                 
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   23                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   30                                                      
CONECT   65   32                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
