COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.107  -0.631  -0.355  1.00  0.00           N  
HETATM    2  N   UNL     1       2.400  -0.752   0.551  1.00  0.00           N  
HETATM    3  C   UNL     1       0.283  -0.510   0.136  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.052   0.104   0.049  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.453  -0.054  -0.335  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.330  -0.768  -1.366  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.736  -0.165  -1.345  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.467   0.377   1.079  1.00  0.00           C  
HETATM    9  C   UNL     1       2.099   1.392   2.571  1.00  0.00           C  
HETATM   10  C   UNL     1       3.700   1.911   0.063  1.00  0.00           C  
HETATM   11  C   UNL     1       3.993   3.807  -1.370  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.204   1.275   0.341  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.061  -0.226   1.058  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.344  -0.337   0.049  1.00  0.00           C  
HETATM   15  O   UNL     1      -7.657   0.226   0.069  1.00  0.00           O  
HETATM   16  C   UNL     1       0.628  -1.775  -0.260  1.00  0.00           C  
HETATM   17  N   UNL     1       1.418   0.072   0.628  1.00  0.00           N  
HETATM   18  C   UNL     1       2.003  -1.895   0.024  1.00  0.00           C  
HETATM   19  C   UNL     1       2.847  -3.083  -0.224  1.00  0.00           C  
HETATM   20  O   UNL     1       2.360  -4.082  -0.718  1.00  0.00           O  
HETATM   21  N   UNL     1       4.155  -3.060   0.099  1.00  0.00           N  
HETATM   22  C   UNL     1       4.991  -4.237  -0.147  1.00  0.00           C  
HETATM   23  C   UNL     1       1.503   1.434   1.162  1.00  0.00           C  
HETATM   24  C   UNL     1       2.381   2.271   0.269  1.00  0.00           C  
HETATM   25  C   UNL     1       1.868   3.399  -0.344  1.00  0.00           C  
HETATM   26  C   UNL     1       2.674   4.167  -1.164  1.00  0.00           C  
HETATM   27  C   UNL     1       4.506   2.679  -0.757  1.00  0.00           C  
HETATM   28  H   UNL     1      -1.974  -1.541  -0.663  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.397   1.007  -0.578  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.897  -0.645  -2.359  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.386  -1.829  -1.122  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.680   0.896  -1.588  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.361  -0.673  -2.079  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.900   0.255   2.072  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.411   1.438   0.836  1.00  0.00           H  
HETATM   36  H   UNL     1       2.162   2.405   2.968  1.00  0.00           H  
HETATM   37  H   UNL     1       1.464   0.787   3.217  1.00  0.00           H  
HETATM   38  H   UNL     1       3.097   0.956   2.530  1.00  0.00           H  
HETATM   39  H   UNL     1       4.102   1.033   0.545  1.00  0.00           H  
HETATM   40  H   UNL     1       4.623   4.407  -2.010  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.117  -1.287   1.302  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.437   0.283   1.793  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.400  -1.398   0.292  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.268  -0.179  -0.562  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.017  -2.523  -0.697  1.00  0.00           H  
HETATM   46  H   UNL     1       4.543  -2.263   0.493  1.00  0.00           H  
HETATM   47  H   UNL     1       4.597  -5.086   0.413  1.00  0.00           H  
HETATM   48  H   UNL     1       4.986  -4.471  -1.212  1.00  0.00           H  
HETATM   49  H   UNL     1       6.012  -4.032   0.175  1.00  0.00           H  
HETATM   50  H   UNL     1       0.505   1.870   1.203  1.00  0.00           H  
HETATM   51  H   UNL     1       0.838   3.680  -0.184  1.00  0.00           H  
HETATM   52  H   UNL     1       2.274   5.048  -1.643  1.00  0.00           H  
HETATM   53  H   UNL     1       5.537   2.400  -0.914  1.00  0.00           H  
CONECT    1    4    5   28                                            
CONECT    2   18   18   17                                            
CONECT    3   16   16   17    4                                       
CONECT    4    3    1   12   12                                       
CONECT    5    1   13    6   29                                       
CONECT    6    5    7   30   31                                       
CONECT    7    6   14   32   33                                       
CONECT    8   13   14   34   35                                       
CONECT    9   23   36   37   38                                       
CONECT   10   24   27   27   39                                       
CONECT   11   26   26   27   40                                       
CONECT   12    4    4                                                 
CONECT   13    5    8   41   42                                       
CONECT   14    8    7   15   43                                       
CONECT   15   14   44                                                 
CONECT   16   18    3    3   45                                       
CONECT   17    2    3   23                                            
CONECT   18   19   16    2    2                                       
CONECT   19   21   20   20   18                                       
CONECT   20   19   19                                                 
CONECT   21   22   19   46                                            
CONECT   22   21   47   48   49                                       
CONECT   23   17    9   24   50                                       
CONECT   24   23   25   25   10                                       
CONECT   25   24   24   26   51                                       
CONECT   26   25   11   11   52                                       
CONECT   27   10   10   11   53                                       
CONECT   28    1                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
