COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  OXT UNL     1      -5.659  -2.821   0.649  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.707  -1.878   0.513  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.534  -2.190   0.547  1.00  0.00           O  
HETATM    4  CA  UNL     1      -5.092  -0.459   0.322  1.00  0.00           C  
HETATM    5  N   UNL     1      -6.416  -0.113   0.159  1.00  0.00           N  
HETATM    6  C   UNL     1      -6.784   1.167  -0.015  1.00  0.00           C  
HETATM    7  O   UNL     1      -7.963   1.430  -0.155  1.00  0.00           O  
HETATM    8  N   UNL     1      -5.884   2.165  -0.038  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.569   1.904   0.116  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.753   2.806   0.096  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.142   0.513   0.312  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.685   0.171   0.488  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.047  -0.061  -0.883  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.590  -0.403  -0.707  1.00  0.00           C  
HETATM   15  C   UNL     1       0.336   0.595  -0.688  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.211  -1.736  -0.561  1.00  0.00           C  
HETATM   17  C   UNL     1       1.096  -2.079  -0.399  1.00  0.00           C  
HETATM   18  C   UNL     1       2.082  -1.076  -0.380  1.00  0.00           C  
HETATM   19  C   UNL     1       3.438  -1.394  -0.216  1.00  0.00           C  
HETATM   20  C   UNL     1       1.695   0.281  -0.524  1.00  0.00           C  
HETATM   21  C   UNL     1       2.675   1.291  -0.500  1.00  0.00           C  
HETATM   22  C   UNL     1       3.983   0.964  -0.341  1.00  0.00           C  
HETATM   23  C   UNL     1       4.379  -0.378  -0.202  1.00  0.00           C  
HETATM   24  C   UNL     1       5.810  -0.706  -0.029  1.00  0.00           C  
HETATM   25  O   UNL     1       6.157  -1.865   0.092  1.00  0.00           O  
HETATM   26  N   UNL     1       6.729   0.279  -0.005  1.00  0.00           N  
HETATM   27  C   UNL     1       8.147  -0.046   0.167  1.00  0.00           C  
HETATM   28  C   UNL     1       8.970   1.244   0.159  1.00  0.00           C  
HETATM   29  O   UNL     1       8.624   2.037   1.296  1.00  0.00           O  
HETATM   30  HXT UNL     1      -5.360  -3.732   0.771  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.094  -0.807   0.170  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.182   3.080  -0.166  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.177   0.993   0.991  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.595  -0.734   1.089  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.555  -0.883  -1.386  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.137   0.844  -1.484  1.00  0.00           H  
HETATM   37  H   UNL     1       0.026   1.624  -0.799  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.966  -2.509  -0.575  1.00  0.00           H  
HETATM   39  H   UNL     1       1.376  -3.116  -0.286  1.00  0.00           H  
HETATM   40  H   UNL     1       3.746  -2.423  -0.100  1.00  0.00           H  
HETATM   41  H   UNL     1       2.387   2.326  -0.609  1.00  0.00           H  
HETATM   42  H   UNL     1       4.729   1.745  -0.324  1.00  0.00           H  
HETATM   43  H   UNL     1       6.451   1.204  -0.101  1.00  0.00           H  
HETATM   44  H   UNL     1       8.289  -0.562   1.116  1.00  0.00           H  
HETATM   45  H   UNL     1       8.473  -0.690  -0.650  1.00  0.00           H  
HETATM   46  H   UNL     1      10.031   0.997   0.197  1.00  0.00           H  
HETATM   47  H   UNL     1       8.760   1.803  -0.752  1.00  0.00           H  
HETATM   48  H   UNL     1       9.109   2.872   1.355  1.00  0.00           H  
CONECT    1    2   30                                                 
CONECT    2    3    3    4    1                                       
CONECT    3    2    2                                                 
CONECT    4   11   11    2    5                                       
CONECT    5    4    6   31                                            
CONECT    6    8    5    7    7                                       
CONECT    7    6    6                                                 
CONECT    8    9    6   32                                            
CONECT    9   10   10   11    8                                       
CONECT   10    9    9                                                 
CONECT   11   12    9    4    4                                       
CONECT   12   13   11   33   34                                       
CONECT   13   14   12   35   36                                       
CONECT   14   15   13   16   16                                       
CONECT   15   20   20   14   37                                       
CONECT   16   14   14   17   38                                       
CONECT   17   18   18   16   39                                       
CONECT   18   20   19   17   17                                       
CONECT   19   23   23   18   40                                       
CONECT   20   21   15   15   18                                       
CONECT   21   22   22   20   41                                       
CONECT   22   21   21   23   42                                       
CONECT   23   22   24   19   19                                       
CONECT   24   25   25   23   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   43                                            
CONECT   27   28   26   44   45                                       
CONECT   28   29   27   46   47                                       
CONECT   29   28   48                                                 
CONECT   30    1                                                      
CONECT   31    5                                                      
CONECT   32    8                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   19                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
CONECT   48   29                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
