COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.758   2.555  -1.229  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.799   1.618  -0.834  1.00  0.00           C  
HETATM    3  C   UNL     1       0.628   1.992  -0.793  1.00  0.00           C  
HETATM    4  C   UNL     1       2.968   1.459  -0.371  1.00  0.00           C  
HETATM    5  C   UNL     1       3.784   0.276   0.084  1.00  0.00           C  
HETATM    6  C   UNL     1       4.356  -0.714  -0.750  1.00  0.00           C  
HETATM    7  C   UNL     1       4.361  -0.918  -2.136  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.480   0.919  -0.900  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.089   2.204  -1.260  1.00  0.00           C  
HETATM   10  C   UNL     1       3.718   0.750   2.553  1.00  0.00           C  
HETATM   11  CA  UNL     1       4.109  -0.027   1.369  1.00  0.00           C  
HETATM   12  C   UNL     1       5.028  -1.622   0.091  1.00  0.00           C  
HETATM   13  C   UNL     1       5.688  -2.713  -0.469  1.00  0.00           C  
HETATM   14  C   UNL     1       5.676  -2.893  -1.834  1.00  0.00           C  
HETATM   15  C   UNL     1       5.016  -1.994  -2.661  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.319  -0.310  -0.034  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.127  -1.685   0.845  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.529  -1.420   1.399  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.302  -2.563   0.408  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.527  -0.020  -0.517  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.195   0.325  -0.478  1.00  0.00           C  
HETATM   22  N   UNL     1       4.865  -1.184   1.384  1.00  0.00           N  
HETATM   23  N   UNL     1       1.551   1.087  -0.412  1.00  0.00           N  
HETATM   24  N   UNL     1      -4.829   0.567  -0.933  1.00  0.00           N  
HETATM   25  N   UNL     1      -6.595  -0.732  -0.132  1.00  0.00           N  
HETATM   26  O   UNL     1       3.048   1.756   2.425  1.00  0.00           O  
HETATM   27  OXT UNL     1       4.102   0.347   3.781  1.00  0.00           O  
HETATM   28  O   UNL     1       0.971   3.117  -1.102  1.00  0.00           O  
HETATM   29  O   UNL     1      -4.609  -0.720   0.864  1.00  0.00           O  
HETATM   30  H   UNL     1      -1.455   3.554  -1.504  1.00  0.00           H  
HETATM   31  H   UNL     1       3.106   2.285   0.326  1.00  0.00           H  
HETATM   32  H   UNL     1       3.292   1.763  -1.365  1.00  0.00           H  
HETATM   33  H   UNL     1       3.847  -0.226  -2.787  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.830   2.928  -1.565  1.00  0.00           H  
HETATM   35  H   UNL     1       6.207  -3.416   0.166  1.00  0.00           H  
HETATM   36  H   UNL     1       6.189  -3.740  -2.266  1.00  0.00           H  
HETATM   37  H   UNL     1       5.019  -2.149  -3.730  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.394  -2.126   1.520  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.717  -1.687   2.439  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.054  -0.537   1.038  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.678  -2.431  -0.607  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.341  -3.581   0.795  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.834  -1.017  -0.238  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.456  -0.401  -0.173  1.00  0.00           H  
HETATM   45  H   UNL     1       5.222  -1.615   2.176  1.00  0.00           H  
HETATM   46  H   UNL     1       1.278   0.190  -0.165  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.414   0.953  -1.603  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.161  -0.405  -0.848  1.00  0.00           H  
HETATM   49  HXT UNL     1       3.820   0.890   4.529  1.00  0.00           H  
CONECT    1    2    2    9   30                                       
CONECT    2    3    1    1   21                                       
CONECT    3   23   28   28    2                                       
CONECT    4    5   23   31   32                                       
CONECT    5    6    4   11   11                                       
CONECT    6    7    7    5   12                                       
CONECT    7   15    6    6   33                                       
CONECT    8    9    9   24   20                                       
CONECT    9    1    8    8   34                                       
CONECT   10   26   26   27   11                                       
CONECT   11   10   22    5    5                                       
CONECT   12   22   13   13    6                                       
CONECT   13   12   12   14   35                                       
CONECT   14   13   15   15   36                                       
CONECT   15   14   14    7   37                                       
CONECT   16   24   29   29   25                                       
CONECT   17   25   18   19   38                                       
CONECT   18   17   19   39   40                                       
CONECT   19   18   17   41   42                                       
CONECT   20    8   21   21   43                                       
CONECT   21   20   20    2   44                                       
CONECT   22   11   12   45                                            
CONECT   23    4    3   46                                            
CONECT   24   16    8   47                                            
CONECT   25   16   17   48                                            
CONECT   26   10   10                                                 
CONECT   27   10   49                                                 
CONECT   28    3    3                                                 
CONECT   29   16   16                                                 
CONECT   30    1                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
