COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.455  -0.744   1.923  1.00  0.00           C  
HETATM    2  C   UNL     1       5.582   1.174   0.336  1.00  0.00           C  
HETATM    3  C   UNL     1       6.923   0.791  -0.237  1.00  0.00           C  
HETATM    4  C   UNL     1       7.990   0.547   0.607  1.00  0.00           C  
HETATM    5  C   UNL     1       9.220   0.196   0.081  1.00  0.00           C  
HETATM    6  C   UNL     1       9.382   0.088  -1.287  1.00  0.00           C  
HETATM    7  C   UNL     1       8.314   0.331  -2.131  1.00  0.00           C  
HETATM    8  C   UNL     1       7.083   0.678  -1.605  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.338  -0.608   0.172  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.064  -2.027  -2.373  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.519  -3.543  -1.021  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.460   0.348   0.483  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.375   0.643  -0.461  1.00  0.00           N  
HETATM   14  CA  UNL     1      -5.402   1.653  -0.196  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.739   2.764  -2.275  1.00  0.00           N  
HETATM   16  P   UNL     1       0.229  -0.727   0.574  1.00  0.00           P  
HETATM   17  O   UNL     1       0.290  -2.124  -0.224  1.00  0.00           O  
HETATM   18  N   UNL     1       2.796  -0.928   1.362  1.00  0.00           N  
HETATM   19  C   UNL     1       3.571   0.144   1.104  1.00  0.00           C  
HETATM   20  O   UNL     1       3.158   1.262   1.337  1.00  0.00           O  
HETATM   21  O   UNL     1       4.803  -0.025   0.588  1.00  0.00           O  
HETATM   22  N   UNL     1      -1.311  -0.516   1.219  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.885  -2.036   0.119  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.845  -2.171  -1.065  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.539   0.853   1.583  1.00  0.00           O  
HETATM   26  O   UNL     1       0.532   0.385  -0.354  1.00  0.00           O  
HETATM   27  C   UNL     1      -6.562   1.013   0.523  1.00  0.00           C  
HETATM   28  OXT UNL     1      -7.627   1.753   0.870  1.00  0.00           O  
HETATM   29  O   UNL     1      -6.533  -0.166   0.786  1.00  0.00           O  
HETATM   30  C   UNL     1      -5.888   2.247  -1.520  1.00  0.00           C  
HETATM   31  H   UNL     1       1.414   0.201   2.464  1.00  0.00           H  
HETATM   32  H   UNL     1       1.232  -1.564   2.606  1.00  0.00           H  
HETATM   33  H   UNL     1       5.728   1.716   1.270  1.00  0.00           H  
HETATM   34  H   UNL     1       5.052   1.809  -0.374  1.00  0.00           H  
HETATM   35  H   UNL     1       7.864   0.631   1.676  1.00  0.00           H  
HETATM   36  H   UNL     1      10.054   0.006   0.740  1.00  0.00           H  
HETATM   37  H   UNL     1      10.343  -0.185  -1.698  1.00  0.00           H  
HETATM   38  H   UNL     1       8.440   0.247  -3.200  1.00  0.00           H  
HETATM   39  H   UNL     1       6.248   0.864  -2.264  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.898  -0.352  -0.791  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.729  -2.217  -3.216  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.662  -1.017  -2.448  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.245  -2.746  -2.388  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.075  -3.646  -0.089  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.203  -3.639  -1.865  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.760  -4.323  -1.079  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.353   0.186  -1.317  1.00  0.00           H  
HETATM   48  HA  UNL     1      -4.982   2.444   0.425  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.046   2.045  -2.418  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.034   3.162  -3.154  1.00  0.00           H  
HETATM   51  H   UNL     1       0.029  -2.891   0.304  1.00  0.00           H  
HETATM   52  H   UNL     1       3.126  -1.821   1.176  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.488  -1.180   1.958  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.059  -2.737  -0.001  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.416  -2.256   1.045  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.604  -1.391  -1.008  1.00  0.00           H  
HETATM   57  HXT UNL     1      -8.346   1.298   1.330  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.388   1.474  -2.103  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.586   3.059  -1.319  1.00  0.00           H  
CONECT    1   18   16   31   32                                       
CONECT    2    3   21   33   34                                       
CONECT    3    4    2    8    8                                       
CONECT    4    5    5    3   35                                       
CONECT    5    4    4    6   36                                       
CONECT    6    5    7    7   37                                       
CONECT    7    6    6    8   38                                       
CONECT    8    3    3    7   39                                       
CONECT    9   22   12   23   40                                       
CONECT   10   24   41   42   43                                       
CONECT   11   24   44   45   46                                       
CONECT   12   13   25   25    9                                       
CONECT   13   14   12   47                                            
CONECT   14   27   13   30   48                                       
CONECT   15   30   49   50                                            
CONECT   16    1   26   26   17                                       
CONECT   16   22                                                      
CONECT   17   16   51                                                 
CONECT   18   19    1   52                                            
CONECT   19   21   20   20   18                                       
CONECT   20   19   19                                                 
CONECT   21    2   19                                                 
CONECT   22   16    9   53                                            
CONECT   23    9   24   54   55                                       
CONECT   24   23   11   10   56                                       
CONECT   25   12   12                                                 
CONECT   26   16   16                                                 
CONECT   27   29   29   28   14                                       
CONECT   28   27   57                                                 
CONECT   29   27   27                                                 
CONECT   30   14   15   58   59                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   28                                                      
CONECT   58   30                                                      
CONECT   59   30                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
