COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.268   4.061  -0.011  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.550   3.723  -0.421  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.949   2.403  -0.449  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.381   3.095   0.371  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.765   1.752   0.356  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.062   1.408  -0.064  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.138   0.032   0.023  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.933  -0.412   0.471  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.131   0.593   0.669  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.582  -1.858   0.711  1.00  0.00           C  
HETATM   11  CA  UNL     1      -1.323  -2.215  -0.082  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.186  -1.449   0.434  1.00  0.00           N  
HETATM   13  C   UNL     1       0.871  -1.192  -0.362  1.00  0.00           C  
HETATM   14  O   UNL     1       0.880  -1.595  -1.506  1.00  0.00           O  
HETATM   15  C   UNL     1       2.040  -0.403   0.169  1.00  0.00           C  
HETATM   16  C   UNL     1       3.095  -0.254  -0.928  1.00  0.00           C  
HETATM   17  C   UNL     1       4.265   0.534  -0.397  1.00  0.00           C  
HETATM   18  C   UNL     1       5.321  -0.120   0.209  1.00  0.00           C  
HETATM   19  C   UNL     1       6.394   0.603   0.696  1.00  0.00           C  
HETATM   20  C   UNL     1       6.410   1.980   0.578  1.00  0.00           C  
HETATM   21  C   UNL     1       5.353   2.634  -0.028  1.00  0.00           C  
HETATM   22  C   UNL     1       4.284   1.911  -0.521  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.041  -3.689   0.059  1.00  0.00           C  
HETATM   24  O   UNL     1       0.002  -4.061   0.542  1.00  0.00           O  
HETATM   25  OXT UNL     1      -1.949  -4.588  -0.351  1.00  0.00           O  
HETATM   26  H   UNL     1      -2.967   5.098   0.002  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.239   4.498  -0.720  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.948   2.146  -0.768  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.384   3.369   0.684  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.398  -2.016   1.774  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.407  -2.491   0.387  1.00  0.00           H  
HETATM   32  HA  UNL     1      -1.476  -1.974  -1.134  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.194  -1.127   1.349  1.00  0.00           H  
HETATM   34  H   UNL     1       1.700   0.584   0.483  1.00  0.00           H  
HETATM   35  H   UNL     1       2.474  -0.926   1.022  1.00  0.00           H  
HETATM   36  H   UNL     1       3.435  -1.242  -1.242  1.00  0.00           H  
HETATM   37  H   UNL     1       2.662   0.269  -1.781  1.00  0.00           H  
HETATM   38  H   UNL     1       5.308  -1.196   0.301  1.00  0.00           H  
HETATM   39  H   UNL     1       7.219   0.092   1.170  1.00  0.00           H  
HETATM   40  H   UNL     1       7.247   2.545   0.960  1.00  0.00           H  
HETATM   41  H   UNL     1       5.366   3.710  -0.120  1.00  0.00           H  
HETATM   42  H   UNL     1       3.458   2.421  -0.995  1.00  0.00           H  
HETATM   43  HXT UNL     1      -1.724  -5.522  -0.240  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.909  -0.515  -0.194  1.00  0.00           H  
CONECT    1    2    2    4   26                                       
CONECT    2    1    1    3   27                                       
CONECT    3    2    6    6   28                                       
CONECT    4    1    5    5   29                                       
CONECT    5    4    4    6    9                                       
CONECT    6    3    3    5    7                                       
CONECT    7    6    8   44                                            
CONECT    8    7   10    9    9                                       
CONECT    9    5    8    8                                            
CONECT   10    8   11   30   31                                       
CONECT   11   10   12   23   32                                       
CONECT   12   11   13   33                                            
CONECT   13   12   15   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   34   35                                       
CONECT   16   15   17   36   37                                       
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   38                                       
CONECT   19   18   20   20   39                                       
CONECT   20   19   19   21   40                                       
CONECT   21   20   22   22   41                                       
CONECT   22   17   21   21   42                                       
CONECT   23   11   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   43                                                 
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30   10                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   25                                                      
CONECT   44    7                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
