COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.642  -1.202  -1.111  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.447  -3.667   0.694  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.678  -2.358   0.881  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.951  -0.076   0.860  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.572   0.706  -0.302  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.178   2.179  -0.394  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.627   2.449  -0.840  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.231   3.714  -0.226  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.017   1.158  -0.098  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.299  -2.497   0.290  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.301  -1.584   0.622  1.00  0.00           C  
HETATM   12  CA  UNL     1       0.975   0.097   1.430  1.00  0.00           C  
HETATM   13  C   UNL     1       1.369   1.291   2.180  1.00  0.00           C  
HETATM   14  C   UNL     1       1.800  -0.638   0.596  1.00  0.00           C  
HETATM   15  C   UNL     1       3.224  -0.371   0.300  1.00  0.00           C  
HETATM   16  C   UNL     1       4.207  -1.280   0.698  1.00  0.00           C  
HETATM   17  C   UNL     1       5.531  -1.032   0.423  1.00  0.00           C  
HETATM   18  C   UNL     1       5.905   0.129  -0.256  1.00  0.00           C  
HETATM   19  C   UNL     1       7.098   1.774  -1.276  1.00  0.00           C  
HETATM   20  C   UNL     1       5.637   2.163  -1.348  1.00  0.00           C  
HETATM   21  C   UNL     1       4.921   1.030  -0.650  1.00  0.00           C  
HETATM   22  C   UNL     1       3.595   0.789  -0.384  1.00  0.00           C  
HETATM   23  C   UNL     1       0.982  -1.735   0.064  1.00  0.00           C  
HETATM   24  C   UNL     1       1.242  -2.791  -0.812  1.00  0.00           C  
HETATM   25  C   UNL     1       0.247  -3.675  -1.124  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.020  -3.531  -0.576  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.391  -1.271   0.206  1.00  0.00           N  
HETATM   28  N   UNL     1      -7.562   3.949  -0.800  1.00  0.00           N  
HETATM   29  N   UNL     1      -0.281  -0.478   1.439  1.00  0.00           N  
HETATM   30  N   UNL     1       7.162   0.594  -0.637  1.00  0.00           N  
HETATM   31  O   UNL     1      -4.314  -0.100  -1.476  1.00  0.00           O  
HETATM   32  O   UNL     1      -3.288  -2.056  -1.899  1.00  0.00           O  
HETATM   33  O   UNL     1       2.507   1.712   2.099  1.00  0.00           O  
HETATM   34  OXT UNL     1       0.470   1.923   2.963  1.00  0.00           O  
HETATM   35  O   UNL     1       8.035   2.405  -1.717  1.00  0.00           O  
HETATM   36  H   UNL     1      -2.917  -4.476   1.197  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.445  -3.566   1.122  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.529  -3.892  -0.369  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.596  -2.133   1.944  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.162   0.507   1.336  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.713  -0.354   1.588  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.926   2.626   0.568  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.436   2.386  -1.165  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.769   2.394  -1.919  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.318   3.588   0.854  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.586   4.566  -0.442  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.746   0.549  -0.633  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.282   1.317   0.947  1.00  0.00           H  
HETATM   49  H   UNL     1       3.926  -2.181   1.223  1.00  0.00           H  
HETATM   50  H   UNL     1       6.287  -1.739   0.733  1.00  0.00           H  
HETATM   51  H   UNL     1       5.465   3.101  -0.820  1.00  0.00           H  
HETATM   52  H   UNL     1       5.314   2.244  -2.386  1.00  0.00           H  
HETATM   53  H   UNL     1       2.842   1.498  -0.696  1.00  0.00           H  
HETATM   54  H   UNL     1       2.225  -2.909  -1.242  1.00  0.00           H  
HETATM   55  H   UNL     1       0.449  -4.491  -1.802  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.795  -4.240  -0.829  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.982   4.780  -0.410  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.517   4.005  -1.806  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.039  -0.149   1.947  1.00  0.00           H  
HETATM   60  H   UNL     1       7.990   0.121  -0.458  1.00  0.00           H  
HETATM   61  HXT UNL     1       0.823   2.700   3.418  1.00  0.00           H  
CONECT    1   32   32   31   27                                       
CONECT    2    3   36   37   38                                       
CONECT    3   10   27    2   39                                       
CONECT    4   27    5   40   41                                       
CONECT    5   31    9    4    6                                       
CONECT    6    5    7   42   43                                       
CONECT    7    9    6    8   44                                       
CONECT    8    7   28   45   46                                       
CONECT    9    5    7   47   48                                       
CONECT   10   11   11   26    3                                       
CONECT   11   23   29   10   10                                       
CONECT   12   13   14   14   29                                       
CONECT   13   33   33   12   34                                       
CONECT   14   15   12   12   23                                       
CONECT   15   22   22   16   14                                       
CONECT   16   17   17   15   49                                       
CONECT   17   18   16   16   50                                       
CONECT   18   30   21   21   17                                       
CONECT   19   35   35   30   20                                       
CONECT   20   19   21   51   52                                       
CONECT   21   20   18   18   22                                       
CONECT   22   21   15   15   53                                       
CONECT   23   14   24   24   11                                       
CONECT   24   23   23   25   54                                       
CONECT   25   24   26   26   55                                       
CONECT   26   25   25   10   56                                       
CONECT   27    1    3    4                                            
CONECT   28    8   57   58                                            
CONECT   29   12   11   59                                            
CONECT   30   19   18   60                                            
CONECT   31    1    5                                                 
CONECT   32    1    1                                                 
CONECT   33   13   13                                                 
CONECT   34   13   61                                                 
CONECT   35   19   19                                                 
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   22                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   30                                                      
CONECT   61   34                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
