COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.586  -1.244   2.234  1.00  0.00           C  
HETATM    2  C   UNL     1       6.020  -1.055   0.563  1.00  0.00           C  
HETATM    3  C   UNL     1       6.492  -2.253   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       7.549  -2.917   0.645  1.00  0.00           C  
HETATM    5  N   UNL     1       4.998  -0.633  -0.249  1.00  0.00           N  
HETATM    6  C   UNL     1       4.192   0.577  -0.070  1.00  0.00           C  
HETATM    7  C   UNL     1       4.865   1.780  -0.767  1.00  0.00           C  
HETATM    8  C   UNL     1       3.683   2.591  -1.343  1.00  0.00           C  
HETATM    9  C   UNL     1       2.434   1.782  -0.926  1.00  0.00           C  
HETATM   10  C   UNL     1       1.382   1.817  -2.036  1.00  0.00           C  
HETATM   11  C   UNL     1       4.870  -1.546  -1.253  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.859   1.141  -2.552  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.029   0.448  -1.987  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.962  -0.104  -1.537  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.100  -0.778  -0.988  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.800  -1.290   0.330  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.622  -2.428   1.150  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.640  -3.271  -0.762  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.703  -2.222  -0.718  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.480   0.771   0.979  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.446   2.821   1.016  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.645   3.818   0.177  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.494   1.906   1.818  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.190   0.527   1.794  1.00  0.00           C  
HETATM   25  N   UNL     1       8.060  -2.375   1.746  1.00  0.00           N  
HETATM   26  N   UNL     1       6.591  -0.592   1.670  1.00  0.00           N  
HETATM   27  N   UNL     1       8.056  -4.101   0.138  1.00  0.00           N  
HETATM   28  N   UNL     1       5.747  -2.496  -1.105  1.00  0.00           N  
HETATM   29  N   UNL     1      -4.782  -0.389   0.138  1.00  0.00           N  
HETATM   30  N   UNL     1      -6.767  -1.430   1.231  1.00  0.00           N  
HETATM   31  N   UNL     1      -7.569  -3.330   0.186  1.00  0.00           N  
HETATM   32  N   UNL     1      -4.653  -1.859  -1.487  1.00  0.00           N  
HETATM   33  N   UNL     1      -6.593  -4.221  -1.767  1.00  0.00           N  
HETATM   34  N   UNL     1      -3.567   4.730  -0.513  1.00  0.00           N  
HETATM   35  O   UNL     1       5.595   2.563   0.179  1.00  0.00           O  
HETATM   36  O   UNL     1       3.646   3.899  -0.770  1.00  0.00           O  
HETATM   37  O   UNL     1       2.916   0.434  -0.732  1.00  0.00           O  
HETATM   38  O   UNL     1       0.193   1.164  -1.586  1.00  0.00           O  
HETATM   39  O   UNL     1      -4.186   1.924   0.160  1.00  0.00           O  
HETATM   40  O   UNL     1      -2.362   2.377   3.161  1.00  0.00           O  
HETATM   41  O   UNL     1      -3.508   0.103   3.121  1.00  0.00           O  
HETATM   42  H   UNL     1       8.028  -0.840   3.134  1.00  0.00           H  
HETATM   43  H   UNL     1       4.048   0.783   0.990  1.00  0.00           H  
HETATM   44  H   UNL     1       5.523   1.439  -1.567  1.00  0.00           H  
HETATM   45  H   UNL     1       3.755   2.652  -2.429  1.00  0.00           H  
HETATM   46  H   UNL     1       2.020   2.176   0.002  1.00  0.00           H  
HETATM   47  H   UNL     1       1.154   2.853  -2.288  1.00  0.00           H  
HETATM   48  H   UNL     1       1.766   1.305  -2.918  1.00  0.00           H  
HETATM   49  H   UNL     1       4.147  -1.490  -2.054  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.521   0.614  -3.445  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.134   2.162  -2.815  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.395  -2.512   1.899  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.315   0.984   1.647  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.122   3.349   1.689  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.985   4.392   0.827  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.050   3.278  -0.560  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.519   1.853   1.335  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.559  -0.210   1.297  1.00  0.00           H  
HETATM   59  H   UNL     1       7.681  -4.482  -0.672  1.00  0.00           H  
HETATM   60  H   UNL     1       8.785  -4.550   0.592  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.243  -4.941  -1.784  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.910  -4.167  -2.454  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.062   5.399  -1.074  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.232   4.218  -1.073  1.00  0.00           H  
HETATM   65  H   UNL     1       5.989   3.364  -0.193  1.00  0.00           H  
HETATM   66  H   UNL     1       4.435   4.430  -0.950  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.775   1.839   3.710  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.735  -0.065   3.676  1.00  0.00           H  
CONECT    1   25   25   26   42                                       
CONECT    2    3    5   26   26                                       
CONECT    3   28    4    4    2                                       
CONECT    4   27    3    3   25                                       
CONECT    5   11    2    6                                            
CONECT    6    7    5   37   43                                       
CONECT    7   35    8    6   44                                       
CONECT    8    7   36    9   45                                       
CONECT    9    8   37   10   46                                       
CONECT   10    9   38   47   48                                       
CONECT   11   28   28    5   49                                       
CONECT   12   38   13   50   51                                       
CONECT   13   14   14   14   12                                       
CONECT   14   15   13   13   13                                       
CONECT   15   32   32   14   29                                       
CONECT   16   19   19   29   30                                       
CONECT   17   31   30   30   52                                       
CONECT   18   33   31   31   19                                       
CONECT   19   18   32   16   16                                       
CONECT   20   29   24   39   53                                       
CONECT   21   23   39   22   54                                       
CONECT   22   21   34   55   56                                       
CONECT   23   24   40   21   57                                       
CONECT   24   41   20   23   58                                       
CONECT   25    4    1    1                                            
CONECT   26    2    2    1                                            
CONECT   27    4   59   60                                            
CONECT   28    3   11   11                                            
CONECT   29   15   16   20                                            
CONECT   30   17   17   16                                            
CONECT   31   18   18   17                                            
CONECT   32   19   15   15                                            
CONECT   33   18   61   62                                            
CONECT   34   22   63   64                                            
CONECT   35    7   65                                                 
CONECT   36    8   66                                                 
CONECT   37    6    9                                                 
CONECT   38   10   12                                                 
CONECT   39   20   21                                                 
CONECT   40   23   67                                                 
CONECT   41   24   68                                                 
CONECT   42    1                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   17                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   36                                                      
CONECT   67   40                                                      
CONECT   68   41                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
