COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.108  -1.118  -0.094  1.00  0.00           C  
HETATM    2  C   UNL     1       1.965  -1.437  -1.443  1.00  0.00           C  
HETATM    3  C   UNL     1       2.591  -2.547  -1.951  1.00  0.00           C  
HETATM    4  C   UNL     1       3.365  -3.354  -1.128  1.00  0.00           C  
HETATM    5  C   UNL     1       3.517  -3.054   0.208  1.00  0.00           C  
HETATM    6  C   UNL     1       2.891  -1.933   0.742  1.00  0.00           C  
HETATM    7  N   UNL     1       2.853  -1.384   2.006  1.00  0.00           N  
HETATM    8  C   UNL     1       2.082  -0.260   2.009  1.00  0.00           C  
HETATM    9  C   UNL     1       1.588  -0.039   0.762  1.00  0.00           C  
HETATM   10  C   UNL     1       0.710   1.074   0.345  1.00  0.00           C  
HETATM   11  CA  UNL     1       1.118   2.316  -0.126  1.00  0.00           C  
HETATM   12  C   UNL     1       2.506   2.755  -0.297  1.00  0.00           C  
HETATM   13  O   UNL     1       3.420   2.004  -0.017  1.00  0.00           O  
HETATM   14  OXT UNL     1       2.769   3.993  -0.766  1.00  0.00           O  
HETATM   15  N   UNL     1      -0.001   3.062  -0.403  1.00  0.00           N  
HETATM   16  CA  UNL     1      -1.119   2.318  -0.118  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.507   2.758  -0.279  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.421   2.008   0.007  1.00  0.00           O  
HETATM   19  OXT UNL     1      -2.772   3.996  -0.746  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.709   1.072   0.345  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.586  -0.042   0.761  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.107  -1.119  -0.097  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.972  -1.430  -1.449  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.603  -2.537  -1.959  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.375  -3.346  -1.137  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.519  -3.054   0.201  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.887  -1.937   0.738  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.841  -1.395   2.005  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.064  -0.275   2.011  1.00  0.00           C  
HETATM   30  H   UNL     1       1.363  -0.812  -2.086  1.00  0.00           H  
HETATM   31  H   UNL     1       2.481  -2.795  -2.996  1.00  0.00           H  
HETATM   32  H   UNL     1       3.853  -4.225  -1.540  1.00  0.00           H  
HETATM   33  H   UNL     1       4.122  -3.688   0.839  1.00  0.00           H  
HETATM   34  H   UNL     1       3.309  -1.746   2.782  1.00  0.00           H  
HETATM   35  H   UNL     1       1.888   0.358   2.873  1.00  0.00           H  
HETATM   36  HXT UNL     1       3.712   4.191  -0.845  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.002   3.969  -0.747  1.00  0.00           H  
HETATM   38  HXT UNL     1      -3.716   4.196  -0.817  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.373  -0.803  -2.092  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.500  -2.779  -3.006  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.867  -4.214  -1.551  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.121  -3.690   0.833  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.293  -1.761   2.781  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.860   0.335   2.878  1.00  0.00           H  
CONECT    1    6    6    2    9                                       
CONECT    2    1    3    3   30                                       
CONECT    3    2    2    4   31                                       
CONECT    4    3    5    5   32                                       
CONECT    5    4    4    6   33                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6    8   34                                            
CONECT    8    7    9    9   35                                       
CONECT    9    1    8    8   10                                       
CONECT   10    9   11   11   20                                       
CONECT   11   10   10   12   15                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   36                                                 
CONECT   15   11   16   37                                            
CONECT   16   15   20   20   17                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   38                                                 
CONECT   20   10   16   16   21                                       
CONECT   21   20   22   29   29                                       
CONECT   22   21   23   23   27                                       
CONECT   23   22   22   24   39                                       
CONECT   24   23   25   25   40                                       
CONECT   25   24   24   26   41                                       
CONECT   26   25   27   27   42                                       
CONECT   27   22   26   26   28                                       
CONECT   28   27   29   43                                            
CONECT   29   21   21   28   44                                       
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   19                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
CONECT   41   25                                                      
CONECT   42   26                                                      
CONECT   43   28                                                      
CONECT   44   29                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
