COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.321  -5.848  -0.581  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.398  -5.071  -1.470  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.041  -3.752  -1.681  1.00  0.00           C  
HETATM    4  C   UNL     1       1.035  -3.210  -1.003  1.00  0.00           C  
HETATM    5  C   UNL     1       1.757  -3.989  -0.118  1.00  0.00           C  
HETATM    6  C   UNL     1       1.398  -5.306   0.097  1.00  0.00           C  
HETATM    7  C   UNL     1       1.424  -1.773  -1.233  1.00  0.00           C  
HETATM    8  C   UNL     1       0.783  -0.893  -0.157  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.680  -0.963  -0.275  1.00  0.00           N  
HETATM   10  CA  UNL     1      -1.227  -0.589   1.036  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.662  -0.086   0.866  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.655   1.206   0.046  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.068   1.702  -0.122  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.613   2.567   0.808  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.909   3.022   0.654  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.661   2.611  -0.431  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.116   1.746  -1.362  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.818   1.295  -1.210  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.221  -1.791   1.945  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.263  -2.904   1.475  1.00  0.00           O  
HETATM   21  OXT UNL     1      -1.168  -1.627   3.276  1.00  0.00           O  
HETATM   22  C   UNL     1       1.234   0.534  -0.341  1.00  0.00           C  
HETATM   23  O   UNL     1       0.417   1.406  -0.550  1.00  0.00           O  
HETATM   24  N   UNL     1       2.544   0.840  -0.274  1.00  0.00           N  
HETATM   25  C   UNL     1       2.983   2.226  -0.453  1.00  0.00           C  
HETATM   26  C   UNL     1       3.137   2.519  -1.924  1.00  0.00           C  
HETATM   27  O   UNL     1       2.905   1.654  -2.741  1.00  0.00           O  
HETATM   28  N   UNL     1       3.534   3.741  -2.329  1.00  0.00           N  
HETATM   29  C   UNL     1       4.325   2.432   0.252  1.00  0.00           C  
HETATM   30  C   UNL     1       4.143   2.260   1.738  1.00  0.00           C  
HETATM   31  O   UNL     1       5.194   2.396   2.562  1.00  0.00           O  
HETATM   32  O   UNL     1       3.052   1.999   2.187  1.00  0.00           O  
HETATM   33  H   UNL     1       0.042  -6.878  -0.415  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.239  -5.494  -1.999  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.603  -3.145  -2.375  1.00  0.00           H  
HETATM   36  H   UNL     1       2.598  -3.566   0.411  1.00  0.00           H  
HETATM   37  H   UNL     1       1.959  -5.913   0.791  1.00  0.00           H  
HETATM   38  H   UNL     1       1.077  -1.455  -2.216  1.00  0.00           H  
HETATM   39  H   UNL     1       2.508  -1.677  -1.181  1.00  0.00           H  
HETATM   40  H   UNL     1       1.086  -1.245   0.829  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.954  -0.238  -0.921  1.00  0.00           H  
HETATM   42  HA  UNL     1      -0.615   0.200   1.474  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.252  -0.842   0.348  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.098   0.108   1.845  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.064   1.962   0.564  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.219   1.013  -0.934  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.025   2.888   1.656  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.334   3.697   1.381  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.674   2.965  -0.551  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.704   1.425  -2.209  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.393   0.619  -1.937  1.00  0.00           H  
HETATM   52  HXT UNL     1      -1.091  -2.397   3.856  1.00  0.00           H  
HETATM   53  H   UNL     1       3.198   0.143  -0.108  1.00  0.00           H  
HETATM   54  H   UNL     1       2.240   2.900  -0.025  1.00  0.00           H  
HETATM   55  H   UNL     1       3.634   3.929  -3.276  1.00  0.00           H  
HETATM   56  H   UNL     1       3.717   4.434  -1.675  1.00  0.00           H  
HETATM   57  H   UNL     1       5.043   1.699  -0.114  1.00  0.00           H  
HETATM   58  H   UNL     1       4.694   3.437   0.045  1.00  0.00           H  
HETATM   59  H   UNL     1       5.077   2.285   3.516  1.00  0.00           H  
CONECT    1    2    2    6   33                                       
CONECT    2    1    1    3   34                                       
CONECT    3    2    4    4   35                                       
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    6   36                                       
CONECT    6    1    5    5   37                                       
CONECT    7    4    8   38   39                                       
CONECT    8    7    9   22   40                                       
CONECT    9    8   10   41                                            
CONECT   10    9   11   19   42                                       
CONECT   11   10   12   43   44                                       
CONECT   12   11   13   45   46                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13   15   47                                       
CONECT   15   14   16   16   48                                       
CONECT   16   15   15   17   49                                       
CONECT   17   16   18   18   50                                       
CONECT   18   13   17   17   51                                       
CONECT   19   10   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   52                                                 
CONECT   22    8   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   53                                            
CONECT   25   24   26   29   54                                       
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   55   56                                            
CONECT   29   25   30   57   58                                       
CONECT   30   29   31   32   32                                       
CONECT   31   30   59                                                 
CONECT   32   30   30                                                 
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   21                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   31                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
