COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.398  -0.578  -0.189  1.00  0.00           C  
HETATM    2  C   UNL     1       4.139  -0.622   0.639  1.00  0.00           C  
HETATM    3  C   UNL     1       2.923  -0.300   0.065  1.00  0.00           C  
HETATM    4  C   UNL     1       4.200  -0.989   1.970  1.00  0.00           C  
HETATM    5  C   UNL     1       3.046  -1.028   2.730  1.00  0.00           C  
HETATM    6  C   UNL     1       1.831  -0.701   2.158  1.00  0.00           C  
HETATM    7  C   UNL     1       1.769  -0.340   0.825  1.00  0.00           C  
HETATM    8  C   UNL     1       0.444   0.012   0.200  1.00  0.00           C  
HETATM    9  C   UNL     1       0.239  -0.815  -1.043  1.00  0.00           C  
HETATM   10  C   UNL     1       0.282  -0.215  -2.287  1.00  0.00           C  
HETATM   11  C   UNL     1       0.095  -0.973  -3.428  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.135  -2.332  -3.324  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.177  -2.933  -2.079  1.00  0.00           C  
HETATM   14  C   UNL     1       0.015  -2.175  -0.939  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.682  -0.277   1.195  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.034  -0.025   0.524  1.00  0.00           C  
HETATM   17  CA  UNL     1      -3.159  -0.456   1.467  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.490  -0.096   0.857  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.947   1.163   0.941  1.00  0.00           O  
HETATM   20  OXT UNL     1      -5.145  -0.941   0.294  1.00  0.00           O  
HETATM   21  N   UNL     1      -3.094  -1.908   1.676  1.00  0.00           N  
HETATM   22  C   UNL     1       0.431   1.475  -0.162  1.00  0.00           C  
HETATM   23  C   UNL     1       1.476   2.292   0.227  1.00  0.00           C  
HETATM   24  C   UNL     1       1.464   3.634  -0.105  1.00  0.00           C  
HETATM   25  C   UNL     1       0.407   4.158  -0.826  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.637   3.341  -1.216  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.623   1.998  -0.888  1.00  0.00           C  
HETATM   28  H   UNL     1       5.839   0.416  -0.128  1.00  0.00           H  
HETATM   29  H   UNL     1       6.107  -1.314   0.190  1.00  0.00           H  
HETATM   30  H   UNL     1       5.157  -0.806  -1.228  1.00  0.00           H  
HETATM   31  H   UNL     1       2.875  -0.017  -0.976  1.00  0.00           H  
HETATM   32  H   UNL     1       5.150  -1.245   2.417  1.00  0.00           H  
HETATM   33  H   UNL     1       3.093  -1.316   3.770  1.00  0.00           H  
HETATM   34  H   UNL     1       0.929  -0.732   2.751  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.624  -1.317   1.517  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.579   0.378   2.061  1.00  0.00           H  
HETATM   37  H   UNL     1       0.461   0.847  -2.369  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.014  -2.645   0.033  1.00  0.00           H  
HETATM   39  H   UNL     1       0.127  -0.504  -4.400  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.282  -2.925  -4.215  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.357  -3.995  -1.998  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.135   1.036   0.298  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.093  -0.601  -0.400  1.00  0.00           H  
HETATM   44  HA  UNL     1      -3.047   0.054   2.423  1.00  0.00           H  
HETATM   45  H1  UNL     1      -3.787  -2.209   2.345  1.00  0.00           H  
HETATM   46  H2  UNL     1      -3.195  -2.405   0.803  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.806   1.346   0.535  1.00  0.00           H  
HETATM   48  H   UNL     1       2.301   1.882   0.790  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.437   1.358  -1.195  1.00  0.00           H  
HETATM   50  H   UNL     1       2.280   4.273   0.199  1.00  0.00           H  
HETATM   51  H   UNL     1       0.398   5.207  -1.085  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.462   3.750  -1.779  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    1    3    4    4                                       
CONECT    3    2    7    7   31                                       
CONECT    4    2    2    5   32                                       
CONECT    5    4    6    6   33                                       
CONECT    6    5    5    7   34                                       
CONECT    7    3    3    6    8                                       
CONECT    8    7    9   15   22                                       
CONECT    9    8   10   14   14                                       
CONECT   10    9   11   11   37                                       
CONECT   11   10   10   12   39                                       
CONECT   12   11   13   13   40                                       
CONECT   13   12   12   14   41                                       
CONECT   14    9    9   13   38                                       
CONECT   15    8   16   35   36                                       
CONECT   16   15   17   42   43                                       
CONECT   17   16   18   21   44                                       
CONECT   18   17   19   20   20                                       
CONECT   19   18   47                                                 
CONECT   20   18   18                                                 
CONECT   21   17   45   46                                            
CONECT   22    8   23   27   27                                       
CONECT   23   22   24   24   48                                       
CONECT   24   23   23   25   50                                       
CONECT   25   24   26   26   51                                       
CONECT   26   25   25   27   52                                       
CONECT   27   22   22   26   49                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   10                                                      
CONECT   38   14                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   19                                                      
CONECT   48   23                                                      
CONECT   49   27                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
