COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.985  -0.170   0.996  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.418   0.163   1.750  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.418   1.288   1.160  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.808   1.861  -0.205  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.965   1.047  -0.787  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.532  -0.411  -0.951  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.142  -0.983   0.413  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.835  -0.239   0.090  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.588  -0.057   0.569  1.00  0.00           C  
HETATM   10  C   UNL     1       0.595  -0.128  -0.362  1.00  0.00           C  
HETATM   11  C   UNL     1       1.882   0.112   0.430  1.00  0.00           C  
HETATM   12  C   UNL     1       3.083   0.040  -0.516  1.00  0.00           C  
HETATM   13  C   UNL     1       4.370   0.279   0.276  1.00  0.00           C  
HETATM   14  C   UNL     1       5.571   0.207  -0.670  1.00  0.00           C  
HETATM   15  C   UNL     1       6.858   0.447   0.122  1.00  0.00           C  
HETATM   16  C   UNL     1       8.059   0.375  -0.823  1.00  0.00           C  
HETATM   17  N   UNL     1       9.292   0.604  -0.066  1.00  0.00           N  
HETATM   18  N   UNL     1      10.090  -0.187  -0.038  1.00  0.00           N1+
HETATM   19  N   UNL     1      10.887  -0.978  -0.010  1.00  0.00           N1-
HETATM   20  C   UNL     1      -3.715  -2.420   0.251  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.600  -2.758   0.570  1.00  0.00           O  
HETATM   22  O   UNL     1      -4.574  -3.323  -0.246  1.00  0.00           O  
HETATM   23  O   UNL     1      -5.613  -1.171  -1.496  1.00  0.00           O  
HETATM   24  O   UNL     1      -5.329   1.582  -2.062  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.213   3.223  -0.052  1.00  0.00           O  
HETATM   26  H   UNL     1      -2.707  -0.578   1.967  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.593   1.868   1.575  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.952   1.810  -0.878  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.821   1.099  -0.114  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.676  -0.462  -1.625  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.997  -0.932   1.086  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.971  -0.415  -0.854  1.00  0.00           H  
HETATM   33  H   UNL     1       0.632  -1.113  -0.827  1.00  0.00           H  
HETATM   34  H   UNL     1       0.495   0.635  -1.134  1.00  0.00           H  
HETATM   35  H   UNL     1       1.844   1.096   0.895  1.00  0.00           H  
HETATM   36  H   UNL     1       1.981  -0.652   1.202  1.00  0.00           H  
HETATM   37  H   UNL     1       3.120  -0.946  -0.981  1.00  0.00           H  
HETATM   38  H   UNL     1       2.984   0.803  -1.288  1.00  0.00           H  
HETATM   39  H   UNL     1       4.332   1.264   0.741  1.00  0.00           H  
HETATM   40  H   UNL     1       4.469  -0.484   1.048  1.00  0.00           H  
HETATM   41  H   UNL     1       5.608  -0.778  -1.135  1.00  0.00           H  
HETATM   42  H   UNL     1       5.472   0.970  -1.442  1.00  0.00           H  
HETATM   43  H   UNL     1       6.820   1.432   0.587  1.00  0.00           H  
HETATM   44  H   UNL     1       6.957  -0.316   0.894  1.00  0.00           H  
HETATM   45  H   UNL     1       8.097  -0.610  -1.289  1.00  0.00           H  
HETATM   46  H   UNL     1       7.960   1.138  -1.596  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.913  -0.863  -2.362  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.615   2.506  -2.033  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.474   3.651  -0.878  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.255  -4.232  -0.331  1.00  0.00           H  
HETATM   51  O   UNL     1      -4.539   1.355   2.043  1.00  0.00           O  
HETATM   52  H   UNL     1      -4.868   2.252   2.193  1.00  0.00           H  
CONECT    1    3    8    7   26                                       
CONECT    2    9    9                                                 
CONECT    3    4    1   27   51                                       
CONECT    4   25    5    3   28                                       
CONECT    5   24    4    6   29                                       
CONECT    6    5   23    7   30                                       
CONECT    7    6    1   20   31                                       
CONECT    8    1    9   32                                            
CONECT    9   10    8    2    2                                       
CONECT   10    9   11   33   34                                       
CONECT   11   10   12   35   36                                       
CONECT   12   11   13   37   38                                       
CONECT   13   14   12   39   40                                       
CONECT   14   13   15   41   42                                       
CONECT   15   16   14   43   44                                       
CONECT   16   17   15   45   46                                       
CONECT   17   18   18   16                                            
CONECT   18   17   17   19   19                                       
CONECT   19   18   18                                                 
CONECT   20    7   22   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   20   50                                                 
CONECT   23    6   47                                                 
CONECT   24    5   48                                                 
CONECT   25    4   49                                                 
CONECT   26    1                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   22                                                      
CONECT   51    3   52                                                 
CONECT   52   51                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
