COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.219  -0.263   0.287  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.937   0.028  -0.182  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.780   1.125  -1.053  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.851   1.833  -1.392  1.00  0.00           N  
HETATM    5  N   UNL     1      -5.233   0.491  -0.103  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.304  -0.949   2.669  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.445  -1.424   1.221  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.048   1.518  -0.920  1.00  0.00           C  
HETATM    9  N   UNL     1      -6.139   2.281  -1.296  1.00  0.00           N  
HETATM   10  N   UNL     1      -1.532   1.457  -1.547  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.812  -0.765   0.212  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.890  -1.416   0.535  1.00  0.00           C  
HETATM   13  C   UNL     1       0.266  -2.232   0.940  1.00  0.00           C  
HETATM   14  C   UNL     1       0.422  -2.177   2.461  1.00  0.00           C  
HETATM   15  C   UNL     1       1.514  -1.694   0.288  1.00  0.00           C  
HETATM   16  C   UNL     1       1.920  -0.400   0.540  1.00  0.00           C  
HETATM   17  C   UNL     1       2.257  -2.503  -0.562  1.00  0.00           C  
HETATM   18  O   UNL     1       1.857  -3.779  -0.803  1.00  0.00           O  
HETATM   19  C   UNL     1       2.668  -4.556  -1.687  1.00  0.00           C  
HETATM   20  C   UNL     1       3.406  -2.010  -1.165  1.00  0.00           C  
HETATM   21  C   UNL     1       3.814  -0.716  -0.921  1.00  0.00           C  
HETATM   22  C   UNL     1       3.074   0.097  -0.064  1.00  0.00           C  
HETATM   23  C   UNL     1       3.512   1.488   0.204  1.00  0.00           C  
HETATM   24  C   UNL     1       2.786   2.317   1.064  1.00  0.00           C  
HETATM   25  C   UNL     1       3.230   3.604   1.286  1.00  0.00           C  
HETATM   26  N   UNL     1       4.322   4.055   0.699  1.00  0.00           N  
HETATM   27  C   UNL     1       5.036   3.305  -0.119  1.00  0.00           C  
HETATM   28  C   UNL     1       4.667   2.004  -0.392  1.00  0.00           C  
HETATM   29  H   UNL     1      -4.468  -1.788   3.344  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.303  -0.548   2.824  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.042  -0.172   2.869  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.446  -1.825   1.066  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.707  -2.200   1.020  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.020   3.034  -1.896  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.022   2.064  -0.960  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.755   0.934  -1.294  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.433   2.214  -2.147  1.00  0.00           H  
HETATM   38  H   UNL     1       0.110  -3.264   0.628  1.00  0.00           H  
HETATM   39  H   UNL     1       0.579  -1.144   2.773  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.480  -2.566   2.933  1.00  0.00           H  
HETATM   41  H   UNL     1       1.278  -2.781   2.761  1.00  0.00           H  
HETATM   42  H   UNL     1       1.344   0.228   1.204  1.00  0.00           H  
HETATM   43  H   UNL     1       2.238  -5.551  -1.793  1.00  0.00           H  
HETATM   44  H   UNL     1       2.709  -4.071  -2.663  1.00  0.00           H  
HETATM   45  H   UNL     1       3.676  -4.636  -1.279  1.00  0.00           H  
HETATM   46  H   UNL     1       3.982  -2.642  -1.825  1.00  0.00           H  
HETATM   47  H   UNL     1       4.709  -0.334  -1.390  1.00  0.00           H  
HETATM   48  H   UNL     1       1.891   1.955   1.548  1.00  0.00           H  
HETATM   49  H   UNL     1       2.675   4.252   1.949  1.00  0.00           H  
HETATM   50  H   UNL     1       5.924   3.715  -0.579  1.00  0.00           H  
HETATM   51  H   UNL     1       5.258   1.395  -1.059  1.00  0.00           H  
CONECT    1    2    2    5    7                                       
CONECT    2    3   11    1    1                                       
CONECT    3   10    4    4    2                                       
CONECT    4    3    3    8                                            
CONECT    5    8    8    1                                            
CONECT    6    7   29   30   31                                       
CONECT    7    1    6   32   33                                       
CONECT    8    4    9    5    5                                       
CONECT    9    8   34   35                                            
CONECT   10    3   36   37                                            
CONECT   11    2   12   12   12                                       
CONECT   12   11   11   11   13                                       
CONECT   13   14   12   15   38                                       
CONECT   14   13   39   40   41                                       
CONECT   15   13   17   17   16                                       
CONECT   16   15   22   22   42                                       
CONECT   17   18   15   15   20                                       
CONECT   18   17   19                                                 
CONECT   19   18   43   44   45                                       
CONECT   20   17   21   21   46                                       
CONECT   21   20   20   22   47                                       
CONECT   22   16   16   21   23                                       
CONECT   23   24   22   28   28                                       
CONECT   24   25   25   23   48                                       
CONECT   25   24   24   26   49                                       
CONECT   26   25   27   27                                            
CONECT   27   26   26   28   50                                       
CONECT   28   23   23   27   51                                       
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
