COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.187   3.575  -0.615  1.00  0.00           C  
HETATM    2  O   UNL     1      -5.031   2.433  -0.450  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.418   1.240  -0.226  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.055   1.181  -0.170  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.423  -0.047   0.061  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.200  -1.220   0.234  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.596  -1.136   0.172  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.194   0.085  -0.051  1.00  0.00           C  
HETATM    9  O   UNL     1      -6.548   0.169  -0.111  1.00  0.00           O  
HETATM   10  C   UNL     1      -7.282  -1.044   0.065  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.758  -0.757  -0.033  1.00  0.00           C  
HETATM   12  O   UNL     1      -9.646  -1.755   0.102  1.00  0.00           O  
HETATM   13  O   UNL     1      -9.142   0.371  -0.233  1.00  0.00           O  
HETATM   14  N   UNL     1      -2.569  -2.384   0.453  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.259  -2.432   0.505  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.494  -1.364   0.349  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.015  -0.164   0.128  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.204   0.942  -0.034  1.00  0.00           N  
HETATM   19  C   UNL     1       1.181   0.823   0.124  1.00  0.00           C  
HETATM   20  C   UNL     1       1.828  -0.341  -0.272  1.00  0.00           C  
HETATM   21  C   UNL     1       3.195  -0.458  -0.116  1.00  0.00           C  
HETATM   22  C   UNL     1       3.923   0.587   0.437  1.00  0.00           C  
HETATM   23  C   UNL     1       3.276   1.751   0.833  1.00  0.00           C  
HETATM   24  C   UNL     1       1.911   1.870   0.672  1.00  0.00           C  
HETATM   25  N   UNL     1       5.309   0.468   0.596  1.00  0.00           N  
HETATM   26  C   UNL     1       6.036  -0.206  -0.318  1.00  0.00           C  
HETATM   27  O   UNL     1       5.481  -0.776  -1.237  1.00  0.00           O  
HETATM   28  C   UNL     1       7.509  -0.251  -0.202  1.00  0.00           C  
HETATM   29  C   UNL     1       8.150   0.397   0.855  1.00  0.00           C  
HETATM   30  C   UNL     1       9.524   0.346   0.961  1.00  0.00           C  
HETATM   31  C   UNL     1      10.268  -0.346   0.022  1.00  0.00           C  
HETATM   32  C   UNL     1       9.639  -0.991  -1.029  1.00  0.00           C  
HETATM   33  C   UNL     1       8.266  -0.948  -1.146  1.00  0.00           C  
HETATM   34  H   UNL     1      -3.588   3.717   0.284  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.529   3.419  -1.469  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.801   4.459  -0.786  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.467   2.077  -0.303  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.201  -2.021   0.302  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.998  -1.756  -0.710  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.058  -1.465   1.045  1.00  0.00           H  
HETATM   41  H   UNL     1     -10.582  -1.522   0.031  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.784  -3.385   0.683  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.595   1.801  -0.257  1.00  0.00           H  
HETATM   44  H   UNL     1       1.262  -1.154  -0.701  1.00  0.00           H  
HETATM   45  H   UNL     1       3.698  -1.363  -0.424  1.00  0.00           H  
HETATM   46  H   UNL     1       3.843   2.563   1.263  1.00  0.00           H  
HETATM   47  H   UNL     1       1.408   2.775   0.980  1.00  0.00           H  
HETATM   48  H   UNL     1       5.746   0.869   1.363  1.00  0.00           H  
HETATM   49  H   UNL     1       7.570   0.938   1.589  1.00  0.00           H  
HETATM   50  H   UNL     1      10.021   0.848   1.778  1.00  0.00           H  
HETATM   51  H   UNL     1      11.344  -0.383   0.109  1.00  0.00           H  
HETATM   52  H   UNL     1      10.226  -1.529  -1.759  1.00  0.00           H  
HETATM   53  H   UNL     1       7.776  -1.455  -1.964  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    3    1                                                 
CONECT    3    4    4    8    2                                       
CONECT    4    5    3    3   37                                       
CONECT    5   17   17    6    4                                       
CONECT    6   14   14    5    7                                       
CONECT    7    6    8    8   38                                       
CONECT    8    7    7    3    9                                       
CONECT    9    8   10                                                 
CONECT   10   11    9   39   40                                       
CONECT   11   13   13   12   10                                       
CONECT   12   11   41                                                 
CONECT   13   11   11                                                 
CONECT   14   15    6    6                                            
CONECT   15   16   16   14   42                                       
CONECT   16   15   15   17                                            
CONECT   17   16   18    5    5                                       
CONECT   18   19   17   43                                            
CONECT   19   24   24   20   18                                       
CONECT   20   21   21   19   44                                       
CONECT   21   22   20   20   45                                       
CONECT   22   25   23   23   21                                       
CONECT   23   22   22   24   46                                       
CONECT   24   23   19   19   47                                       
CONECT   25   26   22   48                                            
CONECT   26   28   27   27   25                                       
CONECT   27   26   26                                                 
CONECT   28   29   29   33   26                                       
CONECT   29   30   28   28   49                                       
CONECT   30   31   31   29   50                                       
CONECT   31   30   30   32   51                                       
CONECT   32   31   33   33   52                                       
CONECT   33   32   32   28   53                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    4                                                      
CONECT   38    7                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   15                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   29                                                      
CONECT   50   30                                                      
CONECT   51   31                                                      
CONECT   52   32                                                      
CONECT   53   33                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
