COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.251  -0.851   0.098  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.958  -2.026   0.116  1.00  0.00           N  
HETATM    3  N   UNL     1      -4.146  -3.021   0.101  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.904  -2.617   0.073  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.907  -1.213   0.069  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.798   0.508   0.101  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.419  -2.130   0.149  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.022   1.072   1.156  1.00  0.00           O  
HETATM    9  N   UNL     1      -5.055   1.134  -1.065  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.499   2.530  -1.064  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.800  -0.362   0.042  1.00  0.00           N  
HETATM   12  O   UNL     1       3.141   5.160  -0.116  1.00  0.00           O  
HETATM   13  C   UNL     1       2.426   4.284  -1.003  1.00  0.00           C  
HETATM   14  C   UNL     1       1.293   3.631  -0.188  1.00  0.00           C  
HETATM   15  C   UNL     1       1.419   4.271   1.217  1.00  0.00           C  
HETATM   16  C   UNL     1       2.214   5.566   0.913  1.00  0.00           C  
HETATM   17  N   UNL     1       2.961   0.310   0.008  1.00  0.00           N  
HETATM   18  C   UNL     1       2.776   1.615  -0.062  1.00  0.00           C  
HETATM   19  C   UNL     1       1.491   2.140  -0.108  1.00  0.00           C  
HETATM   20  N   UNL     1       0.445   1.340  -0.083  1.00  0.00           N  
HETATM   21  C   UNL     1       0.616   0.023  -0.013  1.00  0.00           C  
HETATM   22  C   UNL     1       1.915  -0.508   0.035  1.00  0.00           C  
HETATM   23  N   UNL     1       2.105  -1.877   0.109  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.555  -0.877   0.016  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.396  -2.083   0.016  1.00  0.00           O  
HETATM   26  C   UNL     1       3.394  -2.410   0.014  1.00  0.00           C  
HETATM   27  C   UNL     1       3.637  -3.749   0.310  1.00  0.00           C  
HETATM   28  N   UNL     1       4.871  -4.215   0.207  1.00  0.00           N  
HETATM   29  C   UNL     1       5.861  -3.431  -0.169  1.00  0.00           C  
HETATM   30  N   UNL     1       5.672  -2.159  -0.457  1.00  0.00           N  
HETATM   31  C   UNL     1       4.468  -1.618  -0.385  1.00  0.00           C  
HETATM   32  H   UNL     1      -2.030  -3.251   0.056  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.798  -2.249  -0.866  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.708  -2.993   0.749  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.838  -1.225   0.590  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.945   0.660  -1.904  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.655   2.862  -2.091  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.434   2.614  -0.510  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.740   3.153  -0.592  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.928   0.599   0.042  1.00  0.00           H  
HETATM   41  H   UNL     1       2.006   4.856  -1.830  1.00  0.00           H  
HETATM   42  H   UNL     1       3.098   3.514  -1.385  1.00  0.00           H  
HETATM   43  H   UNL     1       0.323   3.865  -0.627  1.00  0.00           H  
HETATM   44  H   UNL     1       0.437   4.504   1.628  1.00  0.00           H  
HETATM   45  H   UNL     1       1.977   3.621   1.891  1.00  0.00           H  
HETATM   46  H   UNL     1       2.749   5.905   1.800  1.00  0.00           H  
HETATM   47  H   UNL     1       1.549   6.347   0.544  1.00  0.00           H  
HETATM   48  H   UNL     1       3.628   2.279  -0.083  1.00  0.00           H  
HETATM   49  H   UNL     1       1.344  -2.466   0.227  1.00  0.00           H  
HETATM   50  H   UNL     1       2.830  -4.397   0.619  1.00  0.00           H  
HETATM   51  H   UNL     1       6.857  -3.843  -0.242  1.00  0.00           H  
HETATM   52  H   UNL     1       4.320  -0.576  -0.627  1.00  0.00           H  
CONECT    1    2    5    5    6                                       
CONECT    2    1    3    7                                            
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   32                                       
CONECT    5    1    1    4   11                                       
CONECT    6    1    8    8    9                                       
CONECT    7    2   33   34   35                                       
CONECT    8    6    6                                                 
CONECT    9    6   10   36                                            
CONECT   10    9   37   38   39                                       
CONECT   11    5   24   40                                            
CONECT   12   13   16                                                 
CONECT   13   12   14   41   42                                       
CONECT   14   13   15   19   43                                       
CONECT   15   14   16   44   45                                       
CONECT   16   12   15   46   47                                       
CONECT   17   18   18   22                                            
CONECT   18   17   17   19   48                                       
CONECT   19   14   18   20   20                                       
CONECT   20   19   19   21                                            
CONECT   21   20   22   22   24                                       
CONECT   22   17   21   21   23                                       
CONECT   23   22   26   49                                            
CONECT   24   11   21   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   23   27   27   31                                       
CONECT   27   26   26   28   50                                       
CONECT   28   27   29   29                                            
CONECT   29   28   28   30   51                                       
CONECT   30   29   31   31                                            
CONECT   31   26   30   30   52                                       
CONECT   32    4                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   18                                                      
CONECT   49   23                                                      
CONECT   50   27                                                      
CONECT   51   29                                                      
CONECT   52   31                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
