COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.358   0.372  -0.343  1.00  0.00           C  
HETATM    2  C   UNL     1       4.808   1.663  -0.021  1.00  0.00           C  
HETATM    3  C   UNL     1       6.150   1.984  -0.287  1.00  0.00           C  
HETATM    4  C   UNL     1       2.714   1.553   0.533  1.00  0.00           C  
HETATM    5  N   UNL     1       6.928   1.053  -0.830  1.00  0.00           N  
HETATM    6  N   UNL     1       5.210  -0.493  -0.883  1.00  0.00           N  
HETATM    7  OXT UNL     1      -5.617   4.115  -0.286  1.00  0.00           O  
HETATM    8  C   UNL     1      -6.095   2.870  -0.135  1.00  0.00           C  
HETATM    9  CA  UNL     1      -5.351   1.877   0.720  1.00  0.00           C  
HETATM   10  N   UNL     1      -6.262   0.796   1.119  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.183   1.292  -0.076  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.355   0.378   0.830  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.187  -0.207   0.033  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.706  -1.080  -1.028  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.491  -2.185  -0.463  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.015  -3.070  -1.596  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.833  -4.221  -1.008  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.288  -1.019   0.968  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.056  -1.500   0.200  1.00  0.00           C  
HETATM   20  O   UNL     1       0.759  -0.375  -0.171  1.00  0.00           O  
HETATM   21  C   UNL     1       0.802  -2.409   1.102  1.00  0.00           C  
HETATM   22  O   UNL     1       0.925  -3.712   0.527  1.00  0.00           O  
HETATM   23  C   UNL     1       2.180  -1.705   1.148  1.00  0.00           C  
HETATM   24  O   UNL     1       3.242  -2.657   1.064  1.00  0.00           O  
HETATM   25  C   UNL     1       2.133  -0.814  -0.119  1.00  0.00           C  
HETATM   26  N   UNL     1       3.036   0.331   0.021  1.00  0.00           N  
HETATM   27  N   UNL     1       3.756   2.333   0.508  1.00  0.00           N  
HETATM   28  C   UNL     1       6.459  -0.149  -1.115  1.00  0.00           C  
HETATM   29  N   UNL     1       6.650   3.240   0.007  1.00  0.00           N  
HETATM   30  O   UNL     1      -7.120   2.545  -0.685  1.00  0.00           O  
HETATM   31  H   UNL     1       1.740   1.832   0.905  1.00  0.00           H  
HETATM   32  HXT UNL     1      -6.129   4.717  -0.844  1.00  0.00           H  
HETATM   33  HA  UNL     1      -4.969   2.378   1.610  1.00  0.00           H  
HETATM   34  H1  UNL     1      -7.007   1.147   1.701  1.00  0.00           H  
HETATM   35  H2  UNL     1      -6.629   0.316   0.312  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.569   0.716  -0.917  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.555   2.101  -0.448  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.968   0.954   1.671  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.983  -0.431   1.201  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.609   0.603  -0.413  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.958  -1.428  -1.609  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.861  -2.778   0.199  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.333  -1.782   0.101  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.645  -2.477  -2.259  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.173  -3.473  -2.160  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.202  -4.814  -0.345  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.674  -3.818  -0.444  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.205  -4.852  -1.815  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.974  -0.395   1.804  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.840  -1.880   1.345  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.364  -2.045  -0.692  1.00  0.00           H  
HETATM   52  H   UNL     1       0.371  -2.471   2.101  1.00  0.00           H  
HETATM   53  H   UNL     1       1.456  -4.325   1.054  1.00  0.00           H  
HETATM   54  H   UNL     1       2.276  -1.097   2.048  1.00  0.00           H  
HETATM   55  H   UNL     1       3.258  -3.295   1.790  1.00  0.00           H  
HETATM   56  H   UNL     1       2.385  -1.396  -1.006  1.00  0.00           H  
HETATM   57  H   UNL     1       7.125  -0.876  -1.556  1.00  0.00           H  
HETATM   58  H   UNL     1       6.073   3.911   0.403  1.00  0.00           H  
HETATM   59  H   UNL     1       7.579   3.449  -0.181  1.00  0.00           H  
CONECT    1   26    2    2    6                                       
CONECT    2   27    1    1    3                                       
CONECT    3    2   29    5    5                                       
CONECT    4   27   27   26   31                                       
CONECT    5    3    3   28                                            
CONECT    6    1   28   28                                            
CONECT    7    8   32                                                 
CONECT    8    9   30   30    7                                       
CONECT    9   11   10    8   33                                       
CONECT   10    9   34   35                                            
CONECT   11   12    9   36   37                                       
CONECT   12   13   11   38   39                                       
CONECT   13   14   18   12   40                                       
CONECT   14   15   13   41                                            
CONECT   15   16   14   42   43                                       
CONECT   16   17   15   44   45                                       
CONECT   17   16   46   47   48                                       
CONECT   18   19   13   49   50                                       
CONECT   19   21   18   20   51                                       
CONECT   20   19   25                                                 
CONECT   21   22   19   23   52                                       
CONECT   22   21   53                                                 
CONECT   23   21   24   25   54                                       
CONECT   24   23   55                                                 
CONECT   25   23   20   26   56                                       
CONECT   26    4   25    1                                            
CONECT   27    4    4    2                                            
CONECT   28    6    6    5   57                                       
CONECT   29    3   58   59                                            
CONECT   30    8    8                                                 
CONECT   31    4                                                      
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
