COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.817   3.851   2.064  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.534   2.403   1.659  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.012   2.368   0.222  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.798   0.139  -0.302  1.00  0.00           C  
HETATM    5  CA  UNL     1      -4.599  -2.222  -0.465  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.767   0.976  -1.320  1.00  0.00           C  
HETATM    7  C   UNL     1       0.412   1.766  -2.293  1.00  0.00           C  
HETATM    8  C   UNL     1       2.018  -1.264   0.560  1.00  0.00           C  
HETATM    9  C   UNL     1       4.157  -1.314   0.913  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.319   3.885   3.444  1.00  0.00           N  
HETATM   11  N   UNL     1      -2.618   0.995  -0.123  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.374  -1.330  -0.253  1.00  0.00           C  
HETATM   13  N   UNL     1      -5.532  -2.049   0.656  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.165  -3.663  -0.539  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.278  -4.378   0.428  1.00  0.00           O  
HETATM   16  OXT UNL     1      -3.653  -4.152  -1.679  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.438   1.669  -1.011  1.00  0.00           C  
HETATM   18  O   UNL     1       0.309   0.892  -0.060  1.00  0.00           O  
HETATM   19  C   UNL     1       1.706   1.053  -0.390  1.00  0.00           C  
HETATM   20  C   UNL     1       1.719   1.015  -1.939  1.00  0.00           C  
HETATM   21  O   UNL     1       2.859   1.703  -2.457  1.00  0.00           O  
HETATM   22  O   UNL     1       0.690   3.132  -2.607  1.00  0.00           O  
HETATM   23  N   UNL     1       2.496  -0.052   0.160  1.00  0.00           N  
HETATM   24  N   UNL     1       2.994  -2.003   1.002  1.00  0.00           N  
HETATM   25  C   UNL     1       5.498  -1.594   1.227  1.00  0.00           C  
HETATM   26  N   UNL     1       5.859  -2.816   1.767  1.00  0.00           N  
HETATM   27  N   UNL     1       6.411  -0.657   0.994  1.00  0.00           N  
HETATM   28  C   UNL     1       6.076   0.512   0.479  1.00  0.00           C  
HETATM   29  N   UNL     1       4.833   0.821   0.177  1.00  0.00           N  
HETATM   30  C   UNL     1       3.852  -0.056   0.367  1.00  0.00           C  
HETATM   31  H   UNL     1      -2.898   4.433   1.997  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.565   4.276   1.395  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.786   1.979   2.329  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.454   1.821   1.726  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.795   2.703  -0.458  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.148   3.027   0.133  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.516   0.337   0.494  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.258   0.352  -1.267  1.00  0.00           H  
HETATM   39  HA  UNL     1      -5.094  -1.944  -1.396  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.578  -0.056  -1.615  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.270   1.501  -2.132  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.096   1.280  -3.126  1.00  0.00           H  
HETATM   43  H   UNL     1       0.981  -1.566   0.521  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.671   3.439   4.076  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.514   4.832   3.735  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.643  -1.524  -1.037  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.931  -1.548   0.719  1.00  0.00           H  
HETATM   48  H1  UNL     1      -5.096  -2.300   1.531  1.00  0.00           H  
HETATM   49  H2  UNL     1      -5.888  -1.105   0.688  1.00  0.00           H  
HETATM   50  HXT UNL     1      -3.388  -5.082  -1.678  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.624   2.667  -0.614  1.00  0.00           H  
HETATM   52  H   UNL     1       2.078   2.010  -0.026  1.00  0.00           H  
HETATM   53  H   UNL     1       1.688  -0.012  -2.303  1.00  0.00           H  
HETATM   54  H   UNL     1       2.911   1.706  -3.422  1.00  0.00           H  
HETATM   55  H   UNL     1       1.223   3.252  -3.405  1.00  0.00           H  
HETATM   56  H   UNL     1       6.787  -2.997   1.980  1.00  0.00           H  
HETATM   57  H   UNL     1       5.182  -3.491   1.933  1.00  0.00           H  
HETATM   58  H   UNL     1       6.850   1.245   0.306  1.00  0.00           H  
CONECT    1   10    2   31   32                                       
CONECT    2    1    3   33   34                                       
CONECT    3    2   11   35   36                                       
CONECT    4   11   12   37   38                                       
CONECT    5   12   13   14   39                                       
CONECT    6   17   11   40   41                                       
CONECT    7   20   17   22   42                                       
CONECT    8   24   24   23   43                                       
CONECT    9   25   24   30   30                                       
CONECT   10    1   44   45                                            
CONECT   11    6    3    4                                            
CONECT   12    4    5   46   47                                       
CONECT   13    5   48   49                                            
CONECT   14    5   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   50                                                 
CONECT   17   18    6    7   51                                       
CONECT   18   19   17                                                 
CONECT   19   23   20   18   52                                       
CONECT   20   19   21    7   53                                       
CONECT   21   20   54                                                 
CONECT   22    7   55                                                 
CONECT   23    8   30   19                                            
CONECT   24    9    8    8                                            
CONECT   25   26   27   27    9                                       
CONECT   26   25   56   57                                            
CONECT   27   25   25   28                                            
CONECT   28   27   29   29   58                                       
CONECT   29   28   28   30                                            
CONECT   30    9    9   23   29                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   28                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
