COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.173  -1.514   5.039  1.00  0.00           C  
HETATM    2  C   UNL     1       1.500  -0.855   6.215  1.00  0.00           C  
HETATM    3  C   UNL     1       1.064  -1.373   7.434  1.00  0.00           C  
HETATM    4  C   UNL     1       0.308  -2.545   7.464  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.014  -3.198   6.275  1.00  0.00           C  
HETATM    6  C   UNL     1       0.421  -2.680   5.055  1.00  0.00           C  
HETATM    7  N   UNL     1       1.605  -1.005   3.793  1.00  0.00           N  
HETATM    8  C   UNL     1       1.374  -1.528   2.535  1.00  0.00           C  
HETATM    9  O   UNL     1       0.746  -2.540   2.248  1.00  0.00           O  
HETATM   10  C   UNL     1       2.308   0.401   6.213  1.00  0.00           C  
HETATM   11  C   UNL     1       3.805   0.125   6.310  1.00  0.00           C  
HETATM   12  O   UNL     1       1.983  -0.708   1.560  1.00  0.00           O  
HETATM   13  C   UNL     1       1.824  -1.122   0.271  1.00  0.00           C  
HETATM   14  C   UNL     1       0.716  -0.671  -0.469  1.00  0.00           C  
HETATM   15  C   UNL     1       0.517  -1.072  -1.795  1.00  0.00           C  
HETATM   16  C   UNL     1       1.439  -1.934  -2.363  1.00  0.00           C  
HETATM   17  N   UNL     1       1.434  -2.517  -3.665  1.00  0.00           N  
HETATM   18  C   UNL     1       0.224  -2.559  -4.448  1.00  0.00           C  
HETATM   19  C   UNL     1       2.265  -3.682  -3.407  1.00  0.00           C  
HETATM   20  C   UNL     1       3.429  -3.178  -2.521  1.00  0.00           C  
HETATM   21  C   UNL     1       2.566  -2.367  -1.608  1.00  0.00           C  
HETATM   22  C   UNL     1       2.768  -1.976  -0.300  1.00  0.00           C  
HETATM   23  C   UNL     1       4.447  -2.214  -3.174  1.00  0.00           C  
HETATM   24  C   UNL     1       4.075  -4.520  -2.235  1.00  0.00           C  
HETATM   25  C   UNL     1       4.052  -5.200  -3.629  1.00  0.00           C  
HETATM   26  N   UNL     1       2.919  -4.533  -4.444  1.00  0.00           N1+
HETATM   27  O   UNL     1       3.401  -3.787  -5.477  1.00  0.00           O1-
HETATM   28  C   UNL     1       1.993  -5.578  -4.993  1.00  0.00           C  
HETATM   29  H   UNL     1       1.310  -0.872   8.367  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.030  -2.949   8.414  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.602  -4.111   6.298  1.00  0.00           H  
HETATM   32  H   UNL     1       0.165  -3.198   4.135  1.00  0.00           H  
HETATM   33  H   UNL     1       2.153  -0.149   3.827  1.00  0.00           H  
HETATM   34  H   UNL     1       2.107   0.983   5.300  1.00  0.00           H  
HETATM   35  H   UNL     1       2.005   1.051   7.048  1.00  0.00           H  
HETATM   36  H   UNL     1       4.047  -0.413   7.233  1.00  0.00           H  
HETATM   37  H   UNL     1       4.372   1.061   6.306  1.00  0.00           H  
HETATM   38  H   UNL     1       4.149  -0.484   5.467  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.004   0.000  -0.005  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.350  -0.717  -2.341  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.575  -2.019  -3.934  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.093  -3.595  -4.599  1.00  0.00           H  
HETATM   43  H   UNL     1       0.389  -2.097  -5.425  1.00  0.00           H  
HETATM   44  H   UNL     1       1.645  -4.407  -2.843  1.00  0.00           H  
HETATM   45  H   UNL     1       3.638  -2.306   0.257  1.00  0.00           H  
HETATM   46  H   UNL     1       4.784  -1.464  -2.452  1.00  0.00           H  
HETATM   47  H   UNL     1       5.323  -2.764  -3.533  1.00  0.00           H  
HETATM   48  H   UNL     1       3.995  -1.695  -4.024  1.00  0.00           H  
HETATM   49  H   UNL     1       3.485  -5.106  -1.520  1.00  0.00           H  
HETATM   50  H   UNL     1       5.091  -4.444  -1.836  1.00  0.00           H  
HETATM   51  H   UNL     1       4.979  -5.041  -4.189  1.00  0.00           H  
HETATM   52  H   UNL     1       3.848  -6.272  -3.546  1.00  0.00           H  
HETATM   53  H   UNL     1       1.259  -5.813  -4.220  1.00  0.00           H  
HETATM   54  H   UNL     1       1.510  -5.163  -5.880  1.00  0.00           H  
HETATM   55  H   UNL     1       2.592  -6.455  -5.246  1.00  0.00           H  
CONECT    1    2    6    6    7                                       
CONECT    2    1    3    3   10                                       
CONECT    3    2    2    4   29                                       
CONECT    4    3    5    5   30                                       
CONECT    5    4    4    6   31                                       
CONECT    6    1    1    5   32                                       
CONECT    7    1    8   33                                            
CONECT    8    7    9    9   12                                       
CONECT    9    8    8                                                 
CONECT   10    2   11   34   35                                       
CONECT   11   10   36   37   38                                       
CONECT   12    8   13                                                 
CONECT   13   12   14   14   22                                       
CONECT   14   13   13   15   39                                       
CONECT   15   14   16   16   40                                       
CONECT   16   15   15   17   21                                       
CONECT   17   16   18   19                                            
CONECT   18   17   41   42   43                                       
CONECT   19   17   20   26   44                                       
CONECT   20   19   21   23   24                                       
CONECT   21   16   20   22   22                                       
CONECT   22   13   21   21   45                                       
CONECT   23   20   46   47   48                                       
CONECT   24   20   25   49   50                                       
CONECT   25   24   26   51   52                                       
CONECT   26   19   25   27   28                                       
CONECT   27   26                                                      
CONECT   28   26   53   54   55                                       
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
