COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.953   0.096  -0.080  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.341   0.156  -0.250  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.015   1.234  -0.014  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.323  -1.140   0.052  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.162   1.418  -0.399  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.092  -0.991  -0.293  1.00  0.00           C  
HETATM    7  C   UNL     1       1.407   0.882   0.172  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.277   2.518  -0.099  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.083  -2.296   0.014  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.596   2.825  -0.389  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.223   1.373   0.702  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.464  -2.225  -0.167  1.00  0.00           C  
HETATM   13  C   UNL     1       2.221   0.645  -0.939  1.00  0.00           C  
HETATM   14  C   UNL     1       1.944   0.790   1.459  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.359   3.178  -0.256  1.00  0.00           N  
HETATM   16  O   UNL     1      -0.478  -3.507   0.141  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.592   3.944  -0.554  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.542   1.462   2.070  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.200  -3.366  -0.208  1.00  0.00           O  
HETATM   20  C   UNL     1       3.551   0.316  -0.760  1.00  0.00           C  
HETATM   21  C   UNL     1       3.271   0.462   1.630  1.00  0.00           C  
HETATM   22  C   UNL     1       0.940  -3.510   0.312  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.611  -3.223  -0.382  1.00  0.00           C  
HETATM   24  C   UNL     1       4.078   0.221   0.527  1.00  0.00           C  
HETATM   25  O   UNL     1       4.345   0.084  -1.839  1.00  0.00           O  
HETATM   26  O   UNL     1       5.386  -0.103   0.701  1.00  0.00           O  
HETATM   27  C   UNL     1       3.739   0.199  -3.128  1.00  0.00           C  
HETATM   28  C   UNL     1       5.860  -0.183   2.047  1.00  0.00           C  
HETATM   29  H   UNL     1       0.747  -1.196   0.183  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.712   1.316  -1.335  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.163  -0.936  -0.423  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.907   2.213   0.582  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.780   0.439   0.634  1.00  0.00           H  
HETATM   34  H   UNL     1       1.811   0.718  -1.936  1.00  0.00           H  
HETATM   35  H   UNL     1       1.318   0.978   2.319  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.896   4.308   0.427  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.135   4.757  -1.118  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.466   3.575  -1.092  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.911   2.350   2.104  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.300   1.525   2.850  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.930   0.575   2.229  1.00  0.00           H  
HETATM   42  H   UNL     1       3.684   0.392   2.626  1.00  0.00           H  
HETATM   43  H   UNL     1       1.411  -3.037  -0.551  1.00  0.00           H  
HETATM   44  H   UNL     1       1.199  -2.957   1.215  1.00  0.00           H  
HETATM   45  H   UNL     1       1.294  -4.537   0.401  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.810  -2.711  -1.324  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.077  -4.207  -0.398  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.021  -2.639   0.442  1.00  0.00           H  
HETATM   49  H   UNL     1       2.920  -0.516  -3.209  1.00  0.00           H  
HETATM   50  H   UNL     1       3.353   1.210  -3.259  1.00  0.00           H  
HETATM   51  H   UNL     1       4.481  -0.010  -3.898  1.00  0.00           H  
HETATM   52  H   UNL     1       6.918  -0.449   2.044  1.00  0.00           H  
HETATM   53  H   UNL     1       5.730   0.782   2.536  1.00  0.00           H  
HETATM   54  H   UNL     1       5.296  -0.943   2.587  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1    5    6                                       
CONECT    3    1    7    8    8                                       
CONECT    4    1    9    9   29                                       
CONECT    5    2   10   11   30                                       
CONECT    6    2   12   12   31                                       
CONECT    7    3   13   13   14                                       
CONECT    8    3    3   15                                            
CONECT    9    4    4   12   16                                       
CONECT   10    5   15   15   17                                       
CONECT   11    5   18   32   33                                       
CONECT   12    6    6    9   19                                       
CONECT   13    7    7   20   34                                       
CONECT   14    7   21   21   35                                       
CONECT   15    8   10   10                                            
CONECT   16    9   22                                                 
CONECT   17   10   36   37   38                                       
CONECT   18   11   39   40   41                                       
CONECT   19   12   23                                                 
CONECT   20   13   24   24   25                                       
CONECT   21   14   14   24   42                                       
CONECT   22   16   43   44   45                                       
CONECT   23   19   46   47   48                                       
CONECT   24   20   20   21   26                                       
CONECT   25   20   27                                                 
CONECT   26   24   28                                                 
CONECT   27   25   49   50   51                                       
CONECT   28   26   52   53   54                                       
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
