COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.927  -0.348  -1.020  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.977  -0.715  -1.678  1.00  0.00           N  
HETATM    3  O   UNL     1      -6.016  -1.989  -2.294  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.853   1.008  -0.350  1.00  0.00           C  
HETATM    5  O   UNL     1      -3.957   1.854  -1.073  1.00  0.00           O  
HETATM    6  C   UNL     1      -4.338   0.812   1.081  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.293   0.061   1.833  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.009   0.055   1.041  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.072   0.779   0.241  1.00  0.00           O  
HETATM   10  CA  UNL     1      -3.229  -1.335   0.437  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.826  -1.184  -0.895  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.176  -2.139   1.331  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.253  -3.484   0.855  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.289   1.724   0.974  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.509   2.608  -0.003  1.00  0.00           C  
HETATM   16  C   UNL     1       0.454   1.734  -0.812  1.00  0.00           C  
HETATM   17  C   UNL     1       1.375   0.980   0.152  1.00  0.00           C  
HETATM   18  C   UNL     1       0.522   0.159   1.123  1.00  0.00           C  
HETATM   19  C   UNL     1       1.433  -0.550   2.128  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.421   3.260  -0.889  1.00  0.00           O  
HETATM   21  O   UNL     1       1.239   2.560  -1.675  1.00  0.00           O  
HETATM   22  O   UNL     1       2.230   0.107  -0.589  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.372   1.028   1.821  1.00  0.00           O  
HETATM   24  O   UNL     1       0.645  -1.389   2.975  1.00  0.00           O  
HETATM   25  C   UNL     1       3.409   0.738  -1.094  1.00  0.00           C  
HETATM   26  C   UNL     1       4.086  -0.185  -2.110  1.00  0.00           C  
HETATM   27  C   UNL     1       4.515  -1.477  -1.409  1.00  0.00           C  
HETATM   28  C   UNL     1       5.437  -1.128  -0.237  1.00  0.00           C  
HETATM   29  C   UNL     1       4.707  -0.169   0.707  1.00  0.00           C  
HETATM   30  C   UNL     1       5.643   0.233   1.849  1.00  0.00           C  
HETATM   31  O   UNL     1       3.168  -0.494  -3.161  1.00  0.00           O  
HETATM   32  O   UNL     1       5.213  -2.314  -2.333  1.00  0.00           O  
HETATM   33  O   UNL     1       5.785  -2.320   0.469  1.00  0.00           O  
HETATM   34  O   UNL     1       4.309   0.998  -0.015  1.00  0.00           O  
HETATM   35  O   UNL     1       4.928   1.034   2.792  1.00  0.00           O  
HETATM   36  H   UNL     1      -6.842  -2.174  -2.763  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.845   1.460  -0.326  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.214   2.006  -1.992  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.190   1.785   1.550  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.162   0.481   1.897  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.618  -0.047   2.054  1.00  0.00           H  
HETATM   42  HA  UNL     1      -2.274  -1.853   0.354  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.461  -1.652  -1.662  1.00  0.00           H  
HETATM   44  H1  UNL     1      -3.799  -2.136   2.353  1.00  0.00           H  
HETATM   45  H2  UNL     1      -5.168  -1.687   1.308  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.837  -4.052   1.375  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.946   2.346   1.582  1.00  0.00           H  
HETATM   48  H   UNL     1       0.057   3.354   0.553  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.114   1.019  -1.408  1.00  0.00           H  
HETATM   50  H   UNL     1       1.979   1.694   0.712  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.051  -0.582   0.566  1.00  0.00           H  
HETATM   52  H   UNL     1       2.162  -1.157   1.592  1.00  0.00           H  
HETATM   53  H   UNL     1       1.953   0.192   2.733  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.065   3.828  -0.443  1.00  0.00           H  
HETATM   55  H   UNL     1       0.719   3.072  -2.309  1.00  0.00           H  
HETATM   56  H   UNL     1       1.158  -1.870   3.638  1.00  0.00           H  
HETATM   57  H   UNL     1       3.139   1.676  -1.577  1.00  0.00           H  
HETATM   58  H   UNL     1       4.963   0.312  -2.526  1.00  0.00           H  
HETATM   59  H   UNL     1       3.634  -2.000  -1.036  1.00  0.00           H  
HETATM   60  H   UNL     1       6.341  -0.650  -0.615  1.00  0.00           H  
HETATM   61  H   UNL     1       3.826  -0.662   1.116  1.00  0.00           H  
HETATM   62  H   UNL     1       6.018  -0.663   2.344  1.00  0.00           H  
HETATM   63  H   UNL     1       6.481   0.804   1.449  1.00  0.00           H  
HETATM   64  H   UNL     1       2.850   0.280  -3.646  1.00  0.00           H  
HETATM   65  H   UNL     1       4.690  -2.569  -3.106  1.00  0.00           H  
HETATM   66  H   UNL     1       6.247  -2.976  -0.071  1.00  0.00           H  
HETATM   67  H   UNL     1       5.460   1.325   3.545  1.00  0.00           H  
CONECT    1    2    2    4   11                                       
CONECT    2    1    1    3                                            
CONECT    3    2   36                                                 
CONECT    4    1    5    6   37                                       
CONECT    5    4   38                                                 
CONECT    6    4    7    8   39                                       
CONECT    7    6   40                                                 
CONECT    8    6    9   10   41                                       
CONECT    9    8   14                                                 
CONECT   10    8   11   12   42                                       
CONECT   11    1   10   43                                            
CONECT   12   10   13   44   45                                       
CONECT   13   12   46                                                 
CONECT   14    9   15   23   47                                       
CONECT   15   14   16   20   48                                       
CONECT   16   15   17   21   49                                       
CONECT   17   16   18   22   50                                       
CONECT   18   17   19   23   51                                       
CONECT   19   18   24   52   53                                       
CONECT   20   15   54                                                 
CONECT   21   16   55                                                 
CONECT   22   17   25                                                 
CONECT   23   14   18                                                 
CONECT   24   19   56                                                 
CONECT   25   22   26   34   57                                       
CONECT   26   25   27   31   58                                       
CONECT   27   26   28   32   59                                       
CONECT   28   27   29   33   60                                       
CONECT   29   28   30   34   61                                       
CONECT   30   29   35   62   63                                       
CONECT   31   26   64                                                 
CONECT   32   27   65                                                 
CONECT   33   28   66                                                 
CONECT   34   25   29                                                 
CONECT   35   30   67                                                 
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   35                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
