COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.639   4.696  -0.142  1.00  0.00           C  
HETATM    2  O   UNL     1       6.680   3.274  -0.276  1.00  0.00           O  
HETATM    3  C   UNL     1       5.489   2.627  -0.359  1.00  0.00           C  
HETATM    4  C   UNL     1       4.317   3.349  -0.311  1.00  0.00           C  
HETATM    5  C   UNL     1       3.090   2.679  -0.396  1.00  0.00           C  
HETATM    6  N   UNL     1       1.921   3.336  -0.355  1.00  0.00           N  
HETATM    7  C   UNL     1       0.787   2.681  -0.438  1.00  0.00           C  
HETATM    8  N   UNL     1       0.723   1.366  -0.564  1.00  0.00           N  
HETATM    9  C   UNL     1       1.819   0.620  -0.616  1.00  0.00           C  
HETATM   10  N   UNL     1       1.738  -0.752  -0.748  1.00  0.00           N  
HETATM   11  C   UNL     1       0.493  -1.386  -0.701  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.594  -0.741  -0.127  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.827  -1.374  -0.083  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.925  -0.727   0.494  1.00  0.00           N  
HETATM   15  C   UNL     1      -4.163  -0.931   0.001  1.00  0.00           C  
HETATM   16  O   UNL     1      -4.314  -1.602  -1.002  1.00  0.00           O  
HETATM   17  C   UNL     1      -5.338  -0.339   0.680  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.184   0.437   1.836  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.303   0.972   2.440  1.00  0.00           C  
HETATM   20  N   UNL     1      -7.508   0.763   1.945  1.00  0.00           N  
HETATM   21  C   UNL     1      -7.701   0.038   0.856  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.627  -0.533   0.182  1.00  0.00           C  
HETATM   23  N   UNL     1      -8.993  -0.152   0.376  1.00  0.00           N  
HETATM   24  C   UNL     1      -9.107   0.294  -1.020  1.00  0.00           C  
HETATM   25  C   UNL     1     -10.525   0.013  -1.525  1.00  0.00           C  
HETATM   26  O   UNL     1     -11.468   0.663  -0.670  1.00  0.00           O  
HETATM   27  C   UNL     1     -11.385   0.252   0.697  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.976   0.536   1.225  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.971  -2.651  -0.612  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.887  -3.290  -1.182  1.00  0.00           C  
HETATM   31  C   UNL     1       0.342  -2.660  -1.233  1.00  0.00           C  
HETATM   32  C   UNL     1       1.520  -3.359  -1.861  1.00  0.00           C  
HETATM   33  C   UNL     1       3.074   1.269  -0.531  1.00  0.00           C  
HETATM   34  C   UNL     1       4.280   0.558  -0.578  1.00  0.00           C  
HETATM   35  C   UNL     1       5.465   1.232  -0.498  1.00  0.00           C  
HETATM   36  O   UNL     1       6.636   0.541  -0.549  1.00  0.00           O  
HETATM   37  C   UNL     1       6.546  -0.878  -0.691  1.00  0.00           C  
HETATM   38  C   UNL     1       7.954  -1.476  -0.729  1.00  0.00           C  
HETATM   39  N   UNL     1       8.615  -1.256   0.564  1.00  0.00           N  
HETATM   40  C   UNL     1       8.037  -2.135   1.613  1.00  0.00           C  
HETATM   41  C   UNL     1       9.143  -2.166   2.698  1.00  0.00           C  
HETATM   42  C   UNL     1      10.445  -2.181   1.864  1.00  0.00           C  
HETATM   43  C   UNL     1      10.050  -1.604   0.492  1.00  0.00           C  
HETATM   44  H   UNL     1       7.655   5.086  -0.087  1.00  0.00           H  
HETATM   45  H   UNL     1       6.130   5.128  -1.004  1.00  0.00           H  
HETATM   46  H   UNL     1       6.099   4.959   0.768  1.00  0.00           H  
HETATM   47  H   UNL     1       4.344   4.423  -0.207  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.136   3.241  -0.401  1.00  0.00           H  
HETATM   49  H   UNL     1       2.545  -1.275  -0.875  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.479   0.252   0.283  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.796  -0.132   1.248  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.931  -3.144  -0.577  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.202   0.613   2.249  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.788  -1.121  -0.709  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.191   1.571   3.331  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.891   0.171   2.249  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.789   1.609   1.203  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.906   1.364  -1.078  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.387  -0.246  -1.635  1.00  0.00           H  
HETATM   60  H   UNL     1     -12.114   0.806   1.289  1.00  0.00           H  
HETATM   61  H   UNL     1     -11.593  -0.816   0.769  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.631   0.394  -2.541  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.707  -1.062  -1.519  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.002  -4.283  -1.592  1.00  0.00           H  
HETATM   65  H   UNL     1       2.047  -3.937  -1.101  1.00  0.00           H  
HETATM   66  H   UNL     1       1.169  -4.028  -2.647  1.00  0.00           H  
HETATM   67  H   UNL     1       2.196  -2.619  -2.288  1.00  0.00           H  
HETATM   68  H   UNL     1       4.273  -0.517  -0.680  1.00  0.00           H  
HETATM   69  H   UNL     1       5.997  -1.294   0.154  1.00  0.00           H  
HETATM   70  H   UNL     1       6.024  -1.118  -1.617  1.00  0.00           H  
HETATM   71  H   UNL     1       7.889  -2.546  -0.926  1.00  0.00           H  
HETATM   72  H   UNL     1       8.532  -0.996  -1.518  1.00  0.00           H  
HETATM   73  H   UNL     1      10.213  -2.351  -0.285  1.00  0.00           H  
HETATM   74  H   UNL     1      10.639  -0.711   0.282  1.00  0.00           H  
HETATM   75  H   UNL     1       7.119  -1.706   2.013  1.00  0.00           H  
HETATM   76  H   UNL     1       7.853  -3.135   1.219  1.00  0.00           H  
HETATM   77  H   UNL     1      11.203  -1.555   2.335  1.00  0.00           H  
HETATM   78  H   UNL     1      10.813  -3.202   1.756  1.00  0.00           H  
HETATM   79  H   UNL     1       9.096  -1.275   3.323  1.00  0.00           H  
HETATM   80  H   UNL     1       9.061  -3.067   3.307  1.00  0.00           H  
CONECT    1    2   44   45   46                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4   35                                       
CONECT    4    3    3    5   47                                       
CONECT    5    4    6    6   33                                       
CONECT    6    5    5    7                                            
CONECT    7    6    8    8   48                                       
CONECT    8    7    7    9                                            
CONECT    9    8   10   33   33                                       
CONECT   10    9   11   49                                            
CONECT   11   10   12   31   31                                       
CONECT   12   11   13   13   50                                       
CONECT   13   12   12   14   29                                       
CONECT   14   13   15   51                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   18   22                                       
CONECT   18   17   17   19   53                                       
CONECT   19   18   20   20   55                                       
CONECT   20   19   19   21                                            
CONECT   21   20   22   22   23                                       
CONECT   22   17   21   21   54                                       
CONECT   23   21   28   24                                            
CONECT   24   23   25   58   59                                       
CONECT   25   26   24   62   63                                       
CONECT   26   27   25                                                 
CONECT   27   28   26   60   61                                       
CONECT   28   23   27   56   57                                       
CONECT   29   13   30   30   52                                       
CONECT   30   29   29   31   64                                       
CONECT   31   11   11   30   32                                       
CONECT   32   31   65   66   67                                       
CONECT   33    5    9    9   34                                       
CONECT   34   33   35   35   68                                       
CONECT   35    3   34   34   36                                       
CONECT   36   35   37                                                 
CONECT   37   36   38   69   70                                       
CONECT   38   37   39   71   72                                       
CONECT   39   38   43   40                                            
CONECT   40   39   41   75   76                                       
CONECT   41   42   40   79   80                                       
CONECT   42   43   41   77   78                                       
CONECT   43   39   42   73   74                                       
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    4                                                      
CONECT   48    7                                                      
CONECT   49   10                                                      
CONECT   50   12                                                      
CONECT   51   14                                                      
CONECT   52   29                                                      
CONECT   53   18                                                      
CONECT   54   22                                                      
CONECT   55   19                                                      
CONECT   56   28                                                      
CONECT   57   28                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   30                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   34                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   38                                                      
CONECT   73   43                                                      
CONECT   74   43                                                      
CONECT   75   40                                                      
CONECT   76   40                                                      
CONECT   77   42                                                      
CONECT   78   42                                                      
CONECT   79   41                                                      
CONECT   80   41                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
