COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.010  -0.963  -1.496  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.177   0.080  -0.328  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.566  -1.378  -0.704  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.661  -0.987  -1.104  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.921   0.633   0.678  1.00  0.00           C  
HETATM    6  C   UNL     1       0.250   0.795   1.409  1.00  0.00           C  
HETATM    7  C   UNL     1       1.616   0.106   1.393  1.00  0.00           C  
HETATM    8  C   UNL     1       2.400   0.556   0.159  1.00  0.00           C  
HETATM    9  C   UNL     1       3.713  -0.225   0.077  1.00  0.00           C  
HETATM   10  C   UNL     1       3.322   2.454  -0.984  1.00  0.00           C  
HETATM   11  C   UNL     1       3.504   3.972  -0.931  1.00  0.00           C  
HETATM   12  C   UNL     1       4.161   4.451  -2.227  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.545   0.392   2.674  1.00  0.00           C  
HETATM   14  N   UNL     1      -6.543  -1.986  -2.260  1.00  0.00           N  
HETATM   15  N   UNL     1      -6.763   0.062  -1.111  1.00  0.00           N  
HETATM   16  C   UNL     1      -6.263   1.043  -0.382  1.00  0.00           C  
HETATM   17  N   UNL     1      -5.005   1.065   0.004  1.00  0.00           N  
HETATM   18  N   UNL     1      -2.853  -0.194  -0.092  1.00  0.00           N  
HETATM   19  N   UNL     1      -3.627  -1.841  -1.297  1.00  0.00           N  
HETATM   20  O   UNL     1      -0.558   0.335   0.303  1.00  0.00           O  
HETATM   21  C   UNL     1       3.412  -1.703  -0.178  1.00  0.00           C  
HETATM   22  CA  UNL     1       4.720  -2.496  -0.188  1.00  0.00           C  
HETATM   23  N   UNL     1       5.333  -2.448   1.147  1.00  0.00           N1+
HETATM   24  C   UNL     1       4.437  -3.928  -0.560  1.00  0.00           C  
HETATM   25  OXT UNL     1       4.261  -4.266  -1.847  1.00  0.00           O  
HETATM   26  O   UNL     1       4.368  -4.774   0.301  1.00  0.00           O  
HETATM   27  N   UNL     1       2.691   1.993   0.260  1.00  0.00           N1+
HETATM   28  O   UNL     1       4.331   5.870  -2.178  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.430   1.400   3.680  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.005   0.284   2.180  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.837   1.222   2.866  1.00  0.00           O  
HETATM   32  H   UNL     1      -1.599  -1.860  -0.698  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.134   1.691   0.521  1.00  0.00           H  
HETATM   34  H   UNL     1       0.371   1.878   1.365  1.00  0.00           H  
HETATM   35  H   UNL     1       2.168   0.376   2.293  1.00  0.00           H  
HETATM   36  H   UNL     1       1.477  -0.974   1.362  1.00  0.00           H  
HETATM   37  H   UNL     1       1.808   0.367  -0.736  1.00  0.00           H  
HETATM   38  H   UNL     1       4.319   0.168  -0.739  1.00  0.00           H  
HETATM   39  H   UNL     1       4.257  -0.121   1.016  1.00  0.00           H  
HETATM   40  H   UNL     1       2.687   2.193  -1.831  1.00  0.00           H  
HETATM   41  H   UNL     1       4.294   1.974  -1.097  1.00  0.00           H  
HETATM   42  H   UNL     1       2.531   4.451  -0.818  1.00  0.00           H  
HETATM   43  H   UNL     1       4.138   4.233  -0.084  1.00  0.00           H  
HETATM   44  H   UNL     1       5.134   3.973  -2.340  1.00  0.00           H  
HETATM   45  H   UNL     1       3.527   4.191  -3.074  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.198  -0.569   3.053  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.984  -2.731  -2.531  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.476  -1.958  -2.525  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.911   1.857  -0.091  1.00  0.00           H  
HETATM   50  H   UNL     1       2.763  -2.083   0.612  1.00  0.00           H  
HETATM   51  H   UNL     1       2.914  -1.812  -1.141  1.00  0.00           H  
HETATM   52  HA  UNL     1       5.404  -2.060  -0.917  1.00  0.00           H  
HETATM   53  H1  UNL     1       5.522  -1.489   1.395  1.00  0.00           H  
HETATM   54  H2  UNL     1       4.700  -2.852   1.821  1.00  0.00           H  
HETATM   55  H3  UNL     1       6.196  -2.971   1.140  1.00  0.00           H  
HETATM   56  HXT UNL     1       4.082  -5.197  -2.036  1.00  0.00           H  
HETATM   57  H   UNL     1       1.831   2.500   0.409  1.00  0.00           H  
HETATM   58  H   UNL     1       3.316   2.156   1.035  1.00  0.00           H  
HETATM   59  H   UNL     1       4.743   6.244  -2.969  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.910   1.199   4.495  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.380  -0.731   2.315  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.877   1.085   3.823  1.00  0.00           H  
CONECT    1    4    4   15   14                                       
CONECT    2   18   17   17    4                                       
CONECT    3   18   19   19   32                                       
CONECT    4    2   19    1    1                                       
CONECT    5   20   30   18   33                                       
CONECT    6    7   20   13   34                                       
CONECT    7    8    6   35   36                                       
CONECT    8    9   27    7   37                                       
CONECT    9   21    8   38   39                                       
CONECT   10   11   27   40   41                                       
CONECT   11   12   10   42   43                                       
CONECT   12   28   11   44   45                                       
CONECT   13   29    6   30   46                                       
CONECT   14    1   47   48                                            
CONECT   15   16   16    1                                            
CONECT   16   17   15   15   49                                       
CONECT   17    2    2   16                                            
CONECT   18    5    3    2                                            
CONECT   19    3    3    4                                            
CONECT   20    6    5                                                 
CONECT   21   22    9   50   51                                       
CONECT   22   24   21   23   52                                       
CONECT   23   22   53   54   55                                       
CONECT   24   26   26   25   22                                       
CONECT   25   24   56                                                 
CONECT   26   24   24                                                 
CONECT   27    8   10   57   58                                       
CONECT   28   12   59                                                 
CONECT   29   13   60                                                 
CONECT   30   31   13    5   61                                       
CONECT   31   30   62                                                 
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   16                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   25                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
