COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.234   2.233  -0.115  1.00  0.00           N  
HETATM    2  N   UNL     1      -2.892   0.375   0.516  1.00  0.00           N  
HETATM    3  C   UNL     1       1.512   1.846   0.056  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.100   3.118  -1.092  1.00  0.00           C  
HETATM    5  C   UNL     1       4.196   0.671  -0.709  1.00  0.00           C  
HETATM    6  C   UNL     1       5.608   0.235  -0.416  1.00  0.00           C  
HETATM    7  C   UNL     1       5.723  -1.280  -0.603  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.832   0.960  -0.077  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.487  -1.479   0.524  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.778  -3.123  -0.350  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.961  -3.625   1.694  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.491   2.834   1.511  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.482   3.496   2.451  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.939   4.741   3.214  1.00  0.00           C  
HETATM   15  C   UNL     1       7.135  -1.716  -0.310  1.00  0.00           C  
HETATM   16  C   UNL     1       9.371  -2.142  -1.055  1.00  0.00           C  
HETATM   17  C   UNL     1       8.790  -2.480   1.243  1.00  0.00           C  
HETATM   18  C   UNL     1       0.844   3.634  -1.912  1.00  0.00           C  
HETATM   19  C   UNL     1       2.186   3.258  -1.760  1.00  0.00           C  
HETATM   20  C   UNL     1       2.523   2.364  -0.781  1.00  0.00           C  
HETATM   21  N   UNL     1       3.858   1.972  -0.608  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.811   1.690   0.757  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.885  -0.335  -0.294  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.993   0.635  -0.708  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.384  -2.465   0.911  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.506  -4.561   0.144  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.456  -4.785   1.240  1.00  0.00           N  
HETATM   28  O   UNL     1      -4.434   1.689  -1.495  1.00  0.00           O  
HETATM   29  C   UNL     1      -6.029  -0.101  -1.517  1.00  0.00           C  
HETATM   30  N   UNL     1      -6.861  -0.973  -0.914  1.00  0.00           N  
HETATM   31  C   UNL     1      -7.803  -1.760  -1.714  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.757   3.414   3.954  1.00  0.00           C  
HETATM   33  O   UNL     1       3.363  -0.149  -1.035  1.00  0.00           O  
HETATM   34  O   UNL     1       1.796   1.047   0.935  1.00  0.00           O  
HETATM   35  O   UNL     1      -1.701   0.900  -1.281  1.00  0.00           O  
HETATM   36  O   UNL     1      -4.761  -3.522   2.599  1.00  0.00           O  
HETATM   37  O   UNL     1      -6.115   0.091  -2.712  1.00  0.00           O  
HETATM   38  C   UNL     1       8.074  -1.747  -1.325  1.00  0.00           C  
HETATM   39  C   UNL     1       9.730  -2.505   0.229  1.00  0.00           C  
HETATM   40  C   UNL     1       7.494  -2.080   0.974  1.00  0.00           C  
HETATM   41  H   UNL     1      -2.997   0.423   1.479  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.132   3.412  -1.215  1.00  0.00           H  
HETATM   43  H   UNL     1       6.293   0.738  -1.098  1.00  0.00           H  
HETATM   44  H   UNL     1       5.863   0.494   0.612  1.00  0.00           H  
HETATM   45  H   UNL     1       5.038  -1.783   0.080  1.00  0.00           H  
HETATM   46  H   UNL     1       5.468  -1.539  -1.630  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.949  -1.077   1.426  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.242  -1.993  -0.072  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.494  -3.122  -1.172  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.852  -2.628  -0.642  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.326   2.441   2.092  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.861   3.571   0.798  1.00  0.00           H  
HETATM   53  H   UNL     1       0.558   3.458   2.128  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.200   5.522   3.392  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.959   5.089   3.047  1.00  0.00           H  
HETATM   56  H   UNL     1      10.105  -2.161  -1.847  1.00  0.00           H  
HETATM   57  H   UNL     1       9.070  -2.765   2.246  1.00  0.00           H  
HETATM   58  H   UNL     1       0.564   4.336  -2.683  1.00  0.00           H  
HETATM   59  H   UNL     1       2.944   3.666  -2.412  1.00  0.00           H  
HETATM   60  H   UNL     1       4.538   2.636  -0.416  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.364   0.999   1.472  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.405  -0.739  -1.186  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.459   1.055   0.184  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.608  -1.961   1.488  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.681  -5.276  -0.660  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.482  -4.647   0.507  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.690  -5.658   1.591  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.759   2.207  -1.036  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.835  -1.080   0.050  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.471  -1.088  -2.253  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.251  -2.372  -2.427  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.387  -2.404  -1.057  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.657   2.888   4.273  1.00  0.00           H  
HETATM   74  H   UNL     1       0.101   3.322   4.619  1.00  0.00           H  
HETATM   75  H   UNL     1       7.793  -1.463  -2.328  1.00  0.00           H  
HETATM   76  H   UNL     1      10.743  -2.814   0.440  1.00  0.00           H  
HETATM   77  H   UNL     1       6.762  -2.052   1.768  1.00  0.00           H  
CONECT    1    4   22    3                                            
CONECT    2    8   23   41                                            
CONECT    3    1   20   34   34                                       
CONECT    4   18   18    1   42                                       
CONECT    5   21   33   33    6                                       
CONECT    6    7    5   43   44                                       
CONECT    7   15    6   45   46                                       
CONECT    8   22    2   35   35                                       
CONECT    9   23   25   47   48                                       
CONECT   10   25   26   49   50                                       
CONECT   11   25   36   36   27                                       
CONECT   12   13   22   51   52                                       
CONECT   13   14   32   12   53                                       
CONECT   14   32   13   54   55                                       
CONECT   15   38   38   40    7                                       
CONECT   16   39   39   38   56                                       
CONECT   17   39   40   40   57                                       
CONECT   18    4    4   19   58                                       
CONECT   19   18   20   20   59                                       
CONECT   20   19   19    3   21                                       
CONECT   21   20    5   60                                            
CONECT   22   12    1    8   61                                       
CONECT   23    2   24    9   62                                       
CONECT   24   28   23   29   63                                       
CONECT   25    9   10   11   64                                       
CONECT   26   10   27   65   66                                       
CONECT   27   11   26   67                                            
CONECT   28   24   68                                                 
CONECT   29   24   30   37   37                                       
CONECT   30   31   29   69                                            
CONECT   31   30   70   71   72                                       
CONECT   32   14   13   73   74                                       
CONECT   33    5    5                                                 
CONECT   34    3    3                                                 
CONECT   35    8    8                                                 
CONECT   36   11   11                                                 
CONECT   37   29   29                                                 
CONECT   38   16   15   15   75                                       
CONECT   39   16   16   17   76                                       
CONECT   40   17   17   15   77                                       
CONECT   41    2                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   40                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
