COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.706   2.245   0.275  1.00  0.00           O  
HETATM    2  C   UNL     1       2.911   2.123   0.201  1.00  0.00           C  
HETATM    3  OXT UNL     1       3.698   3.216   0.174  1.00  0.00           O  
HETATM    4  CA  UNL     1       3.518   0.772   0.149  1.00  0.00           C  
HETATM    5  N   UNL     1       4.873   0.625  -0.059  1.00  0.00           N  
HETATM    6  C   UNL     1       5.441  -0.591  -0.110  1.00  0.00           C  
HETATM    7  O   UNL     1       6.640  -0.677  -0.295  1.00  0.00           O  
HETATM    8  N   UNL     1       4.720  -1.716   0.038  1.00  0.00           N  
HETATM    9  C   UNL     1       3.388  -1.652   0.245  1.00  0.00           C  
HETATM   10  O   UNL     1       2.733  -2.668   0.379  1.00  0.00           O  
HETATM   11  C   UNL     1       2.745  -0.334   0.310  1.00  0.00           C  
HETATM   12  C   UNL     1       1.260  -0.210   0.539  1.00  0.00           C  
HETATM   13  C   UNL     1       0.531  -0.253  -0.805  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.953  -0.130  -0.576  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.698  -1.253  -0.384  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.542   1.133  -0.557  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.880   1.279  -0.352  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.681   0.143  -0.155  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.082  -1.141  -0.169  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.884  -2.279   0.032  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.222  -2.135   0.236  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.815  -0.875   0.250  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.070   0.254   0.060  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.663   1.476   0.077  1.00  0.00           O  
HETATM   25  C   UNL     1      -7.075   1.508   0.300  1.00  0.00           C  
HETATM   26  HXT UNL     1       3.257   4.076   0.214  1.00  0.00           H  
HETATM   27  H   UNL     1       5.426   1.414  -0.170  1.00  0.00           H  
HETATM   28  H   UNL     1       5.160  -2.579  -0.004  1.00  0.00           H  
HETATM   29  H   UNL     1       0.919  -1.035   1.164  1.00  0.00           H  
HETATM   30  H   UNL     1       1.047   0.735   1.038  1.00  0.00           H  
HETATM   31  H   UNL     1       0.872   0.572  -1.430  1.00  0.00           H  
HETATM   32  H   UNL     1       0.744  -1.199  -1.304  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.227  -2.225  -0.397  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.928   2.008  -0.708  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.323   2.264  -0.339  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.439  -3.263   0.023  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.833  -3.012   0.390  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.879  -0.790   0.415  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.420   2.542   0.290  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.580   0.949  -0.487  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.300   1.060   1.267  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   26                                                 
CONECT    4   11   11    2    5                                       
CONECT    5    4    6   27                                            
CONECT    6    8    5    7    7                                       
CONECT    7    6    6                                                 
CONECT    8    9    6   28                                            
CONECT    9   10   10   11    8                                       
CONECT   10    9    9                                                 
CONECT   11   12    9    4    4                                       
CONECT   12   13   11   29   30                                       
CONECT   13   14   12   31   32                                       
CONECT   14   15   13   16   16                                       
CONECT   15   19   19   14   33                                       
CONECT   16   14   14   17   34                                       
CONECT   17   18   18   16   35                                       
CONECT   18   19   23   17   17                                       
CONECT   19   20   15   15   18                                       
CONECT   20   21   21   19   36                                       
CONECT   21   20   20   22   37                                       
CONECT   22   21   23   23   38                                       
CONECT   23   22   22   18   24                                       
CONECT   24   23   25                                                 
CONECT   25   24   39   40   41                                       
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    8                                                      
CONECT   29   12                                                      
CONECT   30   12                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
CONECT   39   25                                                      
CONECT   40   25                                                      
CONECT   41   25                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
