COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.486  -1.152   0.552  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.012  -1.177   0.627  1.00  0.00           C  
HETATM    3  C   UNL     1       2.023  -2.118   1.452  1.00  0.00           C  
HETATM    4  C   UNL     1       4.706  -0.128   0.103  1.00  0.00           C  
HETATM    5  C   UNL     1       5.301   2.189  -0.050  1.00  0.00           C  
HETATM    6  C   UNL     1       6.015   1.929  -1.205  1.00  0.00           C  
HETATM    7  C   UNL     1       6.072   0.643  -1.710  1.00  0.00           C  
HETATM    8  C   UNL     1       5.423  -0.387  -1.056  1.00  0.00           C  
HETATM    9  C   UNL     1       0.750  -0.248  -0.083  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.710   2.161   0.488  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.295   1.618   1.793  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.217  -1.826  -1.968  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.028  -1.181  -1.347  1.00  0.00           C  
HETATM   14  OXT UNL     1      -5.339  -1.331  -1.596  1.00  0.00           O  
HETATM   15  CA  UNL     1      -3.569  -0.209  -0.291  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.039   1.201  -0.656  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.314   3.535   0.191  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.192   2.290   0.625  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.106  -0.230  -0.212  1.00  0.00           N  
HETATM   20  O   UNL     1      -2.140  -1.966   1.174  1.00  0.00           O  
HETATM   21  N   UNL     1       2.064  -0.268  -0.018  1.00  0.00           N  
HETATM   22  C   UNL     1       2.713  -1.160   0.715  1.00  0.00           C  
HETATM   23  C   UNL     1       0.645  -2.132   1.418  1.00  0.00           C  
HETATM   24  O   UNL     1       4.067  -1.139   0.749  1.00  0.00           O  
HETATM   25  C   UNL     1       4.646   1.164   0.605  1.00  0.00           C  
HETATM   26  H   UNL     1       2.562  -2.841   2.047  1.00  0.00           H  
HETATM   27  H   UNL     1       5.258   3.195   0.343  1.00  0.00           H  
HETATM   28  H   UNL     1       6.529   2.731  -1.714  1.00  0.00           H  
HETATM   29  H   UNL     1       6.630   0.442  -2.612  1.00  0.00           H  
HETATM   30  H   UNL     1       5.475  -1.393  -1.446  1.00  0.00           H  
HETATM   31  H   UNL     1       0.256   0.495  -0.692  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.061   2.302   2.609  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.377   1.526   1.696  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.865   0.639   2.005  1.00  0.00           H  
HETATM   35  HXT UNL     1      -5.585  -1.967  -2.282  1.00  0.00           H  
HETATM   36  HA  UNL     1      -3.989  -0.494   0.673  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.116   1.192  -0.825  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.532   1.529  -1.564  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.898   3.921  -0.739  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.396   3.442   0.094  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.080   4.219   1.007  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.957   3.092   1.325  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.779   1.352   0.996  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.758   2.519  -0.348  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.584   0.419  -0.708  1.00  0.00           H  
HETATM   46  H   UNL     1       0.084  -2.862   1.983  1.00  0.00           H  
HETATM   47  H   UNL     1       4.088   1.369   1.507  1.00  0.00           H  
CONECT    1   19   20   20    2                                       
CONECT    2    1    9    9   23                                       
CONECT    3   23   23   22   26                                       
CONECT    4   25   24    8    8                                       
CONECT    5   25   25    6   27                                       
CONECT    6    5    7    7   28                                       
CONECT    7    6    6    8   29                                       
CONECT    8    4    4    7   30                                       
CONECT    9    2    2   21   31                                       
CONECT   10   11   16   18   17                                       
CONECT   11   10   32   33   34                                       
CONECT   12   13   13                                                 
CONECT   13   12   12   14   15                                       
CONECT   14   13   35                                                 
CONECT   15   16   13   19   36                                       
CONECT   16   10   15   37   38                                       
CONECT   17   10   39   40   41                                       
CONECT   18   10   42   43   44                                       
CONECT   19   15    1   45                                            
CONECT   20    1    1                                                 
CONECT   21    9   22   22                                            
CONECT   22   21   21    3   24                                       
CONECT   23    2    3    3   46                                       
CONECT   24   22    4                                                 
CONECT   25    5    5    4   47                                       
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   23                                                      
CONECT   47   25                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
