COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.299   1.776  -0.990  1.00  0.00           C  
HETATM    2  C   UNL     1       1.861   1.454  -0.925  1.00  0.00           C  
HETATM    3  C   UNL     1       0.942   2.056  -1.783  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.821   0.815  -0.739  1.00  0.00           C  
HETATM    5  C   UNL     1       1.795  -2.322   0.118  1.00  0.00           C  
HETATM    6  C   UNL     1       0.028  -3.293  -1.174  1.00  0.00           C  
HETATM    7  C   UNL     1       1.542  -3.220   1.138  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.020   0.799   0.418  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.924   1.571   2.480  1.00  0.00           C  
HETATM   10  C   UNL     1       4.493   0.060   2.041  1.00  0.00           C  
HETATM   11  C   UNL     1       3.435   0.834   1.253  1.00  0.00           C  
HETATM   12  C   UNL     1       2.861   1.941   2.138  1.00  0.00           C  
HETATM   13  N   UNL     1       4.061   1.438   0.077  1.00  0.00           N  
HETATM   14  O   UNL     1       3.782   2.318  -1.966  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.384   1.736  -1.688  1.00  0.00           C  
HETATM   16  C   UNL     1       0.083   0.205   0.120  1.00  0.00           C  
HETATM   17  C   UNL     1       1.430   0.518   0.033  1.00  0.00           C  
HETATM   18  N   UNL     1       2.358  -0.081   0.869  1.00  0.00           N  
HETATM   19  C   UNL     1       2.898  -1.306   0.265  1.00  0.00           C  
HETATM   20  C   UNL     1       1.040  -2.361  -1.039  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.229  -4.186  -0.151  1.00  0.00           C  
HETATM   22  C   UNL     1       0.530  -4.152   1.004  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.179   0.501  -0.653  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.833   1.441   1.632  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.148   1.063   2.091  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.297   0.451   0.931  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.287   0.308   0.089  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.175  -0.271  -1.169  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.903  -0.141  -1.589  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.472  -0.544  -2.653  1.00  0.00           O  
HETATM   31  H   UNL     1       1.276   2.772  -2.519  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.562  -3.322  -2.078  1.00  0.00           H  
HETATM   33  H   UNL     1       2.135  -3.193   2.040  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.818   2.069   3.433  1.00  0.00           H  
HETATM   35  H   UNL     1       4.976  -0.666   1.387  1.00  0.00           H  
HETATM   36  H   UNL     1       5.240   0.754   2.426  1.00  0.00           H  
HETATM   37  H   UNL     1       4.018  -0.461   2.873  1.00  0.00           H  
HETATM   38  H   UNL     1       3.661   2.618   2.440  1.00  0.00           H  
HETATM   39  H   UNL     1       2.106   2.497   1.582  1.00  0.00           H  
HETATM   40  H   UNL     1       2.406   1.499   3.025  1.00  0.00           H  
HETATM   41  H   UNL     1       5.018   1.596   0.061  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.097   2.202  -2.353  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.262  -0.509   0.853  1.00  0.00           H  
HETATM   44  H   UNL     1       3.683  -1.711   0.904  1.00  0.00           H  
HETATM   45  H   UNL     1       3.312  -1.075  -0.717  1.00  0.00           H  
HETATM   46  H   UNL     1       1.240  -1.662  -1.838  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.020  -4.914  -0.256  1.00  0.00           H  
HETATM   48  H   UNL     1       0.333  -4.854   1.801  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.864   1.829   1.911  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.999   1.167   2.748  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.894  -0.697  -1.662  1.00  0.00           H  
CONECT    1   14   14   13    2                                       
CONECT    2    1    3    3   17                                       
CONECT    3    2    2   15   31                                       
CONECT    4   15   15   16   23                                       
CONECT    5    7   19   20   20                                       
CONECT    6   21   21   20   32                                       
CONECT    7   22   22    5   33                                       
CONECT    8   24   24   23   27                                       
CONECT    9   24   25   25   34                                       
CONECT   10   11   35   36   37                                       
CONECT   11   12   13   10   18                                       
CONECT   12   11   38   39   40                                       
CONECT   13    1   11   41                                            
CONECT   14    1    1                                                 
CONECT   15    3    4    4   42                                       
CONECT   16   17   17    4   43                                       
CONECT   17    2   18   16   16                                       
CONECT   18   11   19   17                                            
CONECT   19   18    5   44   45                                       
CONECT   20    5    5    6   46                                       
CONECT   21   22    6    6   47                                       
CONECT   22    7    7   21   48                                       
CONECT   23    4    8   29                                            
CONECT   24    8    8    9   49                                       
CONECT   25    9    9   26   50                                       
CONECT   26   27   27   25                                            
CONECT   27    8   28   26   26                                       
CONECT   28   29   27   51                                            
CONECT   29   23   30   30   28                                       
CONECT   30   29   29                                                 
CONECT   31    3                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   28                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
