COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.300   3.130   0.542  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.751   1.774   0.675  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.580   1.600  -0.295  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.051   1.641  -1.643  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.839   0.749   0.350  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.068   1.017   1.220  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.312  -0.660   0.631  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.200   0.072   0.809  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.897   0.327  -0.037  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.615   0.511  -0.069  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.352   1.973  -0.358  1.00  0.00           C  
HETATM   12  C   UNL     1       0.037   2.164  -1.825  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.603   2.636  -0.080  1.00  0.00           O  
HETATM   14  C   UNL     1       0.410  -0.524   0.140  1.00  0.00           C  
HETATM   15  N   UNL     1       1.699  -0.311   0.103  1.00  0.00           N  
HETATM   16  N   UNL     1       0.140  -1.849   0.407  1.00  0.00           N  
HETATM   17  C   UNL     1       1.319  -2.497   0.538  1.00  0.00           C  
HETATM   18  O   UNL     1       1.489  -3.679   0.777  1.00  0.00           O  
HETATM   19  C   UNL     1       2.356  -1.469   0.335  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.190  -2.450   0.528  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.647  -2.937  -0.823  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.934  -2.796  -1.788  1.00  0.00           O  
HETATM   23  C   UNL     1       3.727  -1.653   0.373  1.00  0.00           C  
HETATM   24  C   UNL     1       4.622  -0.500   0.291  1.00  0.00           C  
HETATM   25  C   UNL     1       4.098   0.802   0.315  1.00  0.00           C  
HETATM   26  C   UNL     1       6.009  -0.689   0.194  1.00  0.00           C  
HETATM   27  C   UNL     1       4.939   1.875   0.237  1.00  0.00           C  
HETATM   28  C   UNL     1       6.840   0.392   0.117  1.00  0.00           C  
HETATM   29  C   UNL     1       6.313   1.680   0.135  1.00  0.00           C  
HETATM   30  O   UNL     1       7.144   2.750   0.058  1.00  0.00           O  
HETATM   31  H   UNL     1      -3.620   3.824   0.813  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.630   3.296  -0.397  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.402   1.622   1.697  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.415   2.497  -1.907  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.113   0.831  -0.702  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.816   0.847   2.267  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.390   2.049   1.087  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.127  -1.378   0.535  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.527  -0.904  -0.085  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.908  -0.702   1.642  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.452   0.242  -0.238  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.878  -0.960   0.943  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.076   0.263   1.429  1.00  0.00           H  
HETATM   44  H   UNL     1       0.434   2.353   0.295  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.805   1.892  -2.463  1.00  0.00           H  
HETATM   46  H   UNL     1       0.301   3.208  -1.998  1.00  0.00           H  
HETATM   47  H   UNL     1       0.891   1.530  -2.061  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.148  -3.289   1.222  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.892  -1.704   0.902  1.00  0.00           H  
HETATM   50  H   UNL     1       4.136  -2.648   0.464  1.00  0.00           H  
HETATM   51  H   UNL     1       3.032   0.955   0.394  1.00  0.00           H  
HETATM   52  H   UNL     1       6.419  -1.688   0.180  1.00  0.00           H  
HETATM   53  H   UNL     1       4.537   2.878   0.255  1.00  0.00           H  
HETATM   54  H   UNL     1       7.907   0.248   0.042  1.00  0.00           H  
HETATM   55  H   UNL     1       7.320   3.047  -0.845  1.00  0.00           H  
HETATM   56  O   UNL     1      -2.845  -3.526  -0.954  1.00  0.00           O  
HETATM   57  H   UNL     1      -3.095  -3.822  -1.840  1.00  0.00           H  
CONECT    1    2   31   32                                            
CONECT    2    1    5    3   33                                       
CONECT    3    2    9    4   13                                       
CONECT    4    3   34                                                 
CONECT    5    6    2    7   35                                       
CONECT    6    8    5   36   37                                       
CONECT    7    5   38   39   40                                       
CONECT    8    6   41   42   43                                       
CONECT    9    3   10   10                                            
CONECT   10    9    9   14   11                                       
CONECT   11   10   13   12   44                                       
CONECT   12   11   45   46   47                                       
CONECT   13    3   11                                                 
CONECT   14   16   10   15   15                                       
CONECT   15   19   14   14                                            
CONECT   16   20   17   14                                            
CONECT   17   18   18   16   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   23   23   15                                       
CONECT   20   21   16   48   49                                       
CONECT   21   22   22   20   56                                       
CONECT   22   21   21                                                 
CONECT   23   19   19   24   50                                       
CONECT   24   23   26   26   25                                       
CONECT   25   24   27   27   51                                       
CONECT   26   24   24   28   52                                       
CONECT   27   25   25   29   53                                       
CONECT   28   26   29   29   54                                       
CONECT   29   28   28   27   30                                       
CONECT   30   29   55                                                 
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   23                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   30                                                      
CONECT   56   21   57                                                 
CONECT   57   56                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
