COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.896   1.232   2.123  1.00  0.00           N  
HETATM    2  C   UNL     1       3.376   0.152   1.274  1.00  0.00           C  
HETATM    3  C   UNL     1       2.060   0.575   0.673  1.00  0.00           C  
HETATM    4  O   UNL     1       1.771   1.751   0.614  1.00  0.00           O  
HETATM    5  C   UNL     1       4.376  -0.144   0.155  1.00  0.00           C  
HETATM    6  C   UNL     1       5.651  -0.684   0.751  1.00  0.00           C  
HETATM    7  C   UNL     1       5.806  -2.045   0.934  1.00  0.00           C  
HETATM    8  C   UNL     1       6.668   0.182   1.109  1.00  0.00           C  
HETATM    9  C   UNL     1       6.975  -2.541   1.481  1.00  0.00           C  
HETATM   10  C   UNL     1       7.837  -0.314   1.655  1.00  0.00           C  
HETATM   11  C   UNL     1       7.990  -1.675   1.843  1.00  0.00           C  
HETATM   12  N   UNL     1       1.206  -0.354   0.200  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.073   0.058  -0.384  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.064  -1.072  -0.269  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.735  -2.117   0.250  1.00  0.00           O  
HETATM   16  C   UNL     1       0.130   0.409  -1.860  1.00  0.00           C  
HETATM   17  C   UNL     1       1.025   1.617  -1.969  1.00  0.00           C  
HETATM   18  C   UNL     1       2.395   1.455  -2.058  1.00  0.00           C  
HETATM   19  C   UNL     1       0.476   2.885  -1.987  1.00  0.00           C  
HETATM   20  C   UNL     1       3.216   2.563  -2.159  1.00  0.00           C  
HETATM   21  C   UNL     1       1.297   3.992  -2.088  1.00  0.00           C  
HETATM   22  C   UNL     1       2.668   3.832  -2.171  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.317  -0.920  -0.743  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.281  -2.018  -0.631  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.702  -1.451  -0.639  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.916  -0.595   0.611  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.338  -0.029   0.604  1.00  0.00           C  
HETATM   28  N   UNL     1      -6.543   0.790   1.801  1.00  0.00           N  
HETATM   29  C   UNL     1      -7.753   1.407   2.013  1.00  0.00           C  
HETATM   30  N   UNL     1      -8.718   1.262   1.148  1.00  0.00           N  
HETATM   31  N   UNL     1      -7.946   2.176   3.136  1.00  0.00           N  
HETATM   32  C   UNL     1      -3.109  -2.958  -1.796  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.474  -2.611  -2.764  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.728  -4.331  -1.755  1.00  0.00           C  
HETATM   35  H   UNL     1       4.041   2.075   1.588  1.00  0.00           H  
HETATM   36  H   UNL     1       3.284   1.402   2.907  1.00  0.00           H  
HETATM   37  H   UNL     1       3.228  -0.745   1.876  1.00  0.00           H  
HETATM   38  H   UNL     1       3.952  -0.882  -0.526  1.00  0.00           H  
HETATM   39  H   UNL     1       4.591   0.774  -0.392  1.00  0.00           H  
HETATM   40  H   UNL     1       5.013  -2.722   0.651  1.00  0.00           H  
HETATM   41  H   UNL     1       6.549   1.245   0.961  1.00  0.00           H  
HETATM   42  H   UNL     1       7.096  -3.604   1.625  1.00  0.00           H  
HETATM   43  H   UNL     1       8.631   0.363   1.934  1.00  0.00           H  
HETATM   44  H   UNL     1       8.903  -2.062   2.271  1.00  0.00           H  
HETATM   45  H   UNL     1       1.437  -1.295   0.247  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.452   0.930   0.148  1.00  0.00           H  
HETATM   47  H   UNL     1       0.592  -0.433  -2.374  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.835   0.629  -2.317  1.00  0.00           H  
HETATM   49  H   UNL     1       2.824   0.464  -2.048  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.595   3.011  -1.923  1.00  0.00           H  
HETATM   51  H   UNL     1       4.287   2.437  -2.227  1.00  0.00           H  
HETATM   52  H   UNL     1       0.868   4.983  -2.102  1.00  0.00           H  
HETATM   53  H   UNL     1       3.309   4.697  -2.250  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.580  -0.084  -1.159  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.109  -2.558   0.300  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.844  -0.837  -1.528  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.420  -2.272  -0.645  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.774  -1.209   1.501  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.198   0.225   0.618  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.479   0.585  -0.285  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.056  -0.849   0.598  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.825   0.898   2.444  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.572   1.697   1.298  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.228   2.284   3.779  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.800   2.611   3.285  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.257  -4.462  -0.811  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.430  -4.438  -2.582  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.946  -5.085  -1.841  1.00  0.00           H  
CONECT    1    2   35   36                                            
CONECT    2    1    3    5   37                                       
CONECT    3    2    4    4   12                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   38   39                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6    9   40                                       
CONECT    8    6   10   10   41                                       
CONECT    9    7   11   11   42                                       
CONECT   10    8    8   11   43                                       
CONECT   11    9    9   10   44                                       
CONECT   12   13   45    3                                            
CONECT   13   12   14   16   46                                       
CONECT   14   13   15   15   23                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   47   48                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17   20   49                                       
CONECT   19   17   21   21   50                                       
CONECT   20   18   22   22   51                                       
CONECT   21   19   19   22   52                                       
CONECT   22   20   20   21   53                                       
CONECT   23   24   54   14                                            
CONECT   24   23   25   32   55                                       
CONECT   25   24   26   56   57                                       
CONECT   26   25   27   58   59                                       
CONECT   27   26   28   60   61                                       
CONECT   28   27   29   62                                            
CONECT   29   28   30   30   31                                       
CONECT   30   29   29   63                                            
CONECT   31   29   64   65                                            
CONECT   32   24   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   66   67   68                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
