COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.893   1.523   4.611  1.00  0.00           O  
HETATM    2  C   UNL     1       1.314   0.650   3.890  1.00  0.00           C  
HETATM    3  O   UNL     1       2.099  -0.314   4.393  1.00  0.00           O  
HETATM    4  C   UNL     1       2.442  -0.310   5.804  1.00  0.00           C  
HETATM    5  C   UNL     1       0.959   0.646   2.425  1.00  0.00           C  
HETATM    6  O   UNL     1       0.133   1.769   2.113  1.00  0.00           O  
HETATM    7  C   UNL     1       0.240  -0.666   2.053  1.00  0.00           C  
HETATM    8  O   UNL     1       1.225  -1.466   1.391  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.264  -1.375   3.311  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.866  -0.363   1.140  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.728  -0.243  -0.230  1.00  0.00           C  
HETATM   12  C   UNL     1       0.430  -0.239  -1.013  1.00  0.00           C  
HETATM   13  N   UNL     1       1.762  -0.329  -0.623  1.00  0.00           N  
HETATM   14  C   UNL     1       2.192  -0.638   0.743  1.00  0.00           C  
HETATM   15  C   UNL     1       2.238   0.666   1.564  1.00  0.00           C  
HETATM   16  C   UNL     1       2.556  -0.136  -1.722  1.00  0.00           C  
HETATM   17  C   UNL     1       3.944  -0.093  -1.845  1.00  0.00           C  
HETATM   18  C   UNL     1       4.461   0.075  -3.118  1.00  0.00           C  
HETATM   19  C   UNL     1       3.651   0.198  -4.233  1.00  0.00           C  
HETATM   20  C   UNL     1       2.270   0.165  -4.139  1.00  0.00           C  
HETATM   21  C   UNL     1       1.728   0.000  -2.864  1.00  0.00           C  
HETATM   22  C   UNL     1       0.348  -0.070  -2.394  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.925   0.012  -3.005  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.333   0.122  -4.414  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.567   0.143  -5.358  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.072   0.008  -2.215  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.241   0.135  -3.161  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.671   0.197  -4.511  1.00  0.00           N  
HETATM   29  C   UNL     1      -1.985  -0.088  -0.830  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.942  -0.071   0.276  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.192  -0.213   1.468  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.826  -0.200   2.709  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.329   0.072   0.302  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.935   0.079   1.548  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.203  -0.050   2.714  1.00  0.00           C  
HETATM   36  H   UNL     1       3.082  -1.164   6.025  1.00  0.00           H  
HETATM   37  H   UNL     1       2.970   0.611   6.047  1.00  0.00           H  
HETATM   38  H   UNL     1       1.531  -0.375   6.399  1.00  0.00           H  
HETATM   39  H   UNL     1       0.638   2.561   2.345  1.00  0.00           H  
HETATM   40  H   UNL     1       0.579  -1.815   3.844  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.765  -0.654   3.958  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.965  -2.160   3.030  1.00  0.00           H  
HETATM   43  H   UNL     1       3.169  -1.122   0.745  1.00  0.00           H  
HETATM   44  H   UNL     1       2.233   1.531   0.900  1.00  0.00           H  
HETATM   45  H   UNL     1       3.123   0.682   2.200  1.00  0.00           H  
HETATM   46  H   UNL     1       4.589  -0.187  -0.984  1.00  0.00           H  
HETATM   47  H   UNL     1       5.533   0.111  -3.246  1.00  0.00           H  
HETATM   48  H   UNL     1       4.108   0.323  -5.204  1.00  0.00           H  
HETATM   49  H   UNL     1       1.642   0.263  -5.012  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.894  -0.732  -3.069  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.799   1.047  -2.948  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.175   0.278  -5.336  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.267  -0.302   3.627  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.904   0.172  -0.606  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.007   0.188   1.610  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.722  -0.034   3.661  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    5                                       
CONECT    3    2    4                                                 
CONECT    4    3   36   37   38                                       
CONECT    5    2    6    7   15                                       
CONECT    6    5   39                                                 
CONECT    7    5    8    9   10                                       
CONECT    8    7   14                                                 
CONECT    9    7   40   41   42                                       
CONECT   10    7   11   31                                            
CONECT   11   10   12   12   29                                       
CONECT   12   11   11   13   22                                       
CONECT   13   12   14   16                                            
CONECT   14    8   13   15   43                                       
CONECT   15    5   14   44   45                                       
CONECT   16   13   17   17   21                                       
CONECT   17   16   16   18   46                                       
CONECT   18   17   19   19   47                                       
CONECT   19   18   18   20   48                                       
CONECT   20   19   21   21   49                                       
CONECT   21   16   20   20   22                                       
CONECT   22   12   21   23   23                                       
CONECT   23   22   22   24   26                                       
CONECT   24   23   25   25   28                                       
CONECT   25   24   24                                                 
CONECT   26   23   27   29   29                                       
CONECT   27   26   28   50   51                                       
CONECT   28   24   27   52                                            
CONECT   29   11   26   26   30                                       
CONECT   30   29   31   31   33                                       
CONECT   31   10   30   30   32                                       
CONECT   32   31   35   35   53                                       
CONECT   33   30   34   34   54                                       
CONECT   34   33   33   35   55                                       
CONECT   35   32   32   34   56                                       
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    6                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   32                                                      
CONECT   54   33                                                      
CONECT   55   34                                                      
CONECT   56   35                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
