COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.014  -1.587   0.592  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.946  -2.552   0.293  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.645  -3.569  -0.586  1.00  0.00           C  
HETATM    4  C   UNL     1       1.565  -2.710  -0.902  1.00  0.00           C  
HETATM    5  C   UNL     1       4.501  -1.036   0.496  1.00  0.00           C  
HETATM    6  C   UNL     1       1.282  -1.670  -0.013  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.310  -2.483   0.930  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.018  -3.829   0.764  1.00  0.00           C  
HETATM    9  C   UNL     1       4.320   3.283  -1.888  1.00  0.00           C  
HETATM   10  C   UNL     1       5.064   1.275  -0.854  1.00  0.00           C  
HETATM   11  C   UNL     1       3.742   0.997  -0.550  1.00  0.00           C  
HETATM   12  C   UNL     1       3.454  -0.187   0.142  1.00  0.00           C  
HETATM   13  C   UNL     1       2.059  -0.531   0.491  1.00  0.00           C  
HETATM   14  CA  UNL     1       1.227   0.158   1.357  1.00  0.00           C  
HETATM   15  C   UNL     1       1.584   1.371   2.095  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.697  -0.269   0.959  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.396   0.485  -0.177  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.856   0.860   0.079  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.558   2.174  -0.667  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.205   3.403  -0.025  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.083   1.978  -0.272  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.394  -1.372  -1.025  1.00  0.00           C  
HETATM   23  C   UNL     1       0.608  -3.645  -1.179  1.00  0.00           C  
HETATM   24  C   UNL     1       6.056   0.379  -0.456  1.00  0.00           C  
HETATM   25  N   UNL     1       0.003  -0.479   1.406  1.00  0.00           N  
HETATM   26  N   UNL     1      -3.099  -1.433   0.282  1.00  0.00           N  
HETATM   27  N   UNL     1      -5.964   4.580  -0.870  1.00  0.00           N  
HETATM   28  N   UNL     1       5.747  -0.733   0.191  1.00  0.00           N  
HETATM   29  O   UNL     1       5.392   2.412  -1.524  1.00  0.00           O  
HETATM   30  O   UNL     1       2.694   1.854   1.970  1.00  0.00           O  
HETATM   31  OXT UNL     1       0.683   1.954   2.912  1.00  0.00           O  
HETATM   32  O   UNL     1      -4.136  -0.300  -1.364  1.00  0.00           O  
HETATM   33  O   UNL     1      -3.027  -2.206  -1.829  1.00  0.00           O  
HETATM   34  O   UNL     1       7.354   0.642  -0.751  1.00  0.00           O  
HETATM   35  H   UNL     1      -1.391  -4.315  -0.815  1.00  0.00           H  
HETATM   36  H   UNL     1       2.537  -2.775  -1.368  1.00  0.00           H  
HETATM   37  H   UNL     1       4.290  -1.951   1.029  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.204  -2.257   1.991  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.431  -4.611   1.246  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.005  -3.779   1.224  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.124  -4.056  -0.297  1.00  0.00           H  
HETATM   42  H   UNL     1       4.718   4.150  -2.415  1.00  0.00           H  
HETATM   43  H   UNL     1       3.624   2.752  -2.537  1.00  0.00           H  
HETATM   44  H   UNL     1       3.799   3.613  -0.989  1.00  0.00           H  
HETATM   45  H   UNL     1       2.952   1.673  -0.845  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.923   0.352   1.413  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.419  -0.590   1.710  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.569   0.217  -0.436  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.093   1.000   1.133  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.733   2.115  -1.741  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.278   3.239   0.072  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.772   3.568   0.961  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.822   2.432   0.684  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.380   2.227  -1.067  1.00  0.00           H  
HETATM   55  H   UNL     1       0.828  -4.449  -1.867  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.753  -0.191   1.942  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.300   4.426  -1.809  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.383   5.406  -0.467  1.00  0.00           H  
HETATM   59  HXT UNL     1       1.010   2.748   3.356  1.00  0.00           H  
HETATM   60  H   UNL     1       7.816   1.153  -0.071  1.00  0.00           H  
CONECT    1    6   25    2    2                                       
CONECT    2    1    1    3    7                                       
CONECT    3   23   23    2   35                                       
CONECT    4    6    6   23   36                                       
CONECT    5   28   28   12   37                                       
CONECT    6   13    4    4    1                                       
CONECT    7    2   26    8   38                                       
CONECT    8    7   39   40   41                                       
CONECT    9   29   42   43   44                                       
CONECT   10   29   24   24   11                                       
CONECT   11   10   12   12   45                                       
CONECT   12   11   11    5   13                                       
CONECT   13   12   14   14    6                                       
CONECT   14   15   13   13   25                                       
CONECT   15   30   30   14   31                                       
CONECT   16   26   17   46   47                                       
CONECT   17   32   18   16   21                                       
CONECT   18   17   19   48   49                                       
CONECT   19   18   21   20   50                                       
CONECT   20   19   27   51   52                                       
CONECT   21   17   19   53   54                                       
CONECT   22   33   33   32   26                                       
CONECT   23    4    3    3   55                                       
CONECT   24   34   10   10   28                                       
CONECT   25   14    1   56                                            
CONECT   26   22    7   16                                            
CONECT   27   20   57   58                                            
CONECT   28   24    5    5                                            
CONECT   29    9   10                                                 
CONECT   30   15   15                                                 
CONECT   31   15   59                                                 
CONECT   32   22   17                                                 
CONECT   33   22   22                                                 
CONECT   34   24   60                                                 
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   23                                                      
CONECT   56   25                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   31                                                      
CONECT   60   34                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
