COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.748   2.431  -1.666  1.00  0.00           C  
HETATM    2  C   UNL     1       1.091   2.966  -2.911  1.00  0.00           C  
HETATM    3  C   UNL     1       1.768   2.607  -3.966  1.00  0.00           C  
HETATM    4  C   UNL     1       2.963   1.786  -3.559  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.297   1.110   0.241  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.373   1.997  -0.469  1.00  0.00           N  
HETATM    7  C   UNL     1       2.237  -0.347   3.458  1.00  0.00           C  
HETATM    8  C   UNL     1       0.470   0.381   1.849  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.331   2.535   1.655  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.927  -0.621  -0.426  1.00  0.00           C  
HETATM   11  C   UNL     1       3.822   1.036  -1.306  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.701   1.645   0.119  1.00  0.00           C  
HETATM   13  C   UNL     1       0.863   0.311   3.326  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.905   1.040   1.718  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.090   1.508   0.579  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.926  -1.768  -0.269  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.568  -3.826  -1.454  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.089   0.360   0.737  1.00  0.00           C  
HETATM   19  C   UNL     1       0.797   1.518  -0.936  1.00  0.00           C  
HETATM   20  C   UNL     1       4.993   0.315  -1.922  1.00  0.00           C  
HETATM   21  C   UNL     1       5.821  -0.319  -0.834  1.00  0.00           C  
HETATM   22  C   UNL     1       6.905   0.333  -0.330  1.00  0.00           C  
HETATM   23  C   UNL     1       7.682  -0.237   0.675  1.00  0.00           C  
HETATM   24  C   UNL     1       7.380  -1.463   1.184  1.00  0.00           C  
HETATM   25  C   UNL     1       6.269  -2.166   0.690  1.00  0.00           C  
HETATM   26  C   UNL     1       5.475  -1.584  -0.330  1.00  0.00           C  
HETATM   27  C   UNL     1       5.925  -3.434   1.191  1.00  0.00           C  
HETATM   28  C   UNL     1       4.842  -4.086   0.688  1.00  0.00           C  
HETATM   29  C   UNL     1       4.064  -3.515  -0.318  1.00  0.00           C  
HETATM   30  C   UNL     1       4.363  -2.288  -0.824  1.00  0.00           C  
HETATM   31  N   UNL     1       2.615  -0.414   4.876  1.00  0.00           N  
HETATM   32  N   UNL     1      -6.525   3.153   1.741  1.00  0.00           N  
HETATM   33  N   UNL     1      -3.725   0.988   0.697  1.00  0.00           N  
HETATM   34  N   UNL     1      -8.510  -4.063  -0.481  1.00  0.00           N  
HETATM   35  N   UNL     1      -7.431  -4.661  -2.445  1.00  0.00           N  
HETATM   36  N   UNL     1      -6.772  -2.707  -1.382  1.00  0.00           N  
HETATM   37  N   UNL     1       2.938   1.681  -2.093  1.00  0.00           N  
HETATM   38  O   UNL     1      -2.908   2.667  -0.500  1.00  0.00           O  
HETATM   39  O   UNL     1      -4.450   2.806   2.443  1.00  0.00           O  
HETATM   40  O   UNL     1       3.673   1.034  -0.102  1.00  0.00           O  
HETATM   41  O   UNL     1       1.084   0.351  -0.769  1.00  0.00           O  
HETATM   42  H   UNL     1       2.042   3.256  -1.017  1.00  0.00           H  
HETATM   43  H   UNL     1       0.190   3.561  -2.927  1.00  0.00           H  
HETATM   44  H   UNL     1       1.509   2.861  -4.983  1.00  0.00           H  
HETATM   45  H   UNL     1       2.899   0.793  -4.003  1.00  0.00           H  
HETATM   46  H   UNL     1       3.880   2.279  -3.883  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.250   0.112  -0.196  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.603   2.930  -0.603  1.00  0.00           H  
HETATM   49  H   UNL     1       2.199  -1.355   3.044  1.00  0.00           H  
HETATM   50  H   UNL     1       2.976   0.241   2.913  1.00  0.00           H  
HETATM   51  H   UNL     1       1.208   0.969   1.304  1.00  0.00           H  
HETATM   52  H   UNL     1       0.431  -0.627   1.436  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.913  -1.020  -0.427  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.115  -0.103  -1.367  1.00  0.00           H  
HETATM   55  H   UNL     1       0.124  -0.277   3.871  1.00  0.00           H  
HETATM   56  H   UNL     1       0.901   1.319   3.740  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.866   2.047   2.131  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.643   0.451   2.262  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.219   1.970  -0.400  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.739  -2.286   0.672  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.941  -1.370  -0.268  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.103   0.759   0.738  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.901  -0.158   1.677  1.00  0.00           H  
HETATM   64  H   UNL     1       4.629  -0.458  -2.599  1.00  0.00           H  
HETATM   65  H   UNL     1       5.606   1.025  -2.477  1.00  0.00           H  
HETATM   66  H   UNL     1       7.166   1.307  -0.717  1.00  0.00           H  
HETATM   67  H   UNL     1       8.537   0.301   1.057  1.00  0.00           H  
HETATM   68  H   UNL     1       7.994  -1.894   1.961  1.00  0.00           H  
HETATM   69  H   UNL     1       6.519  -3.889   1.971  1.00  0.00           H  
HETATM   70  H   UNL     1       4.580  -5.060   1.075  1.00  0.00           H  
HETATM   71  H   UNL     1       3.210  -4.054  -0.700  1.00  0.00           H  
HETATM   72  H   UNL     1       3.750  -1.857  -1.601  1.00  0.00           H  
HETATM   73  H   UNL     1       3.520  -0.846   4.990  1.00  0.00           H  
HETATM   74  H   UNL     1       2.595   0.501   5.299  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.681   3.814   2.433  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.230   2.936   1.111  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.559   0.170   1.192  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.072  -4.852  -0.532  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.612  -3.441   0.256  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.992  -5.450  -2.496  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.107  -2.540  -2.069  1.00  0.00           H  
CONECT    1   19   37    2   42                                       
CONECT    2    1    3    3   43                                       
CONECT    3    4    2    2   44                                       
CONECT    4   37    3   45   46                                       
CONECT    5   14   12    6   47                                       
CONECT    6    5   19   48                                            
CONECT    7   31   13   49   50                                       
CONECT    8   13   14   51   52                                       
CONECT    9   32   39   39   15                                       
CONECT   10   16   18   53   54                                       
CONECT   11   20   40   40   37                                       
CONECT   12   33    5   38   38                                       
CONECT   13    7    8   55   56                                       
CONECT   14    8    5   57   58                                       
CONECT   15   18    9   33   59                                       
CONECT   16   36   10   60   61                                       
CONECT   17   36   35   35   34                                       
CONECT   18   10   15   62   63                                       
CONECT   19   41   41    6    1                                       
CONECT   20   21   11   64   65                                       
CONECT   21   26   26   22   20                                       
CONECT   22   23   23   21   66                                       
CONECT   23   24   22   22   67                                       
CONECT   24   25   25   23   68                                       
CONECT   25   27   24   24   26                                       
CONECT   26   25   30   21   21                                       
CONECT   27   28   28   25   69                                       
CONECT   28   27   27   29   70                                       
CONECT   29   28   30   30   71                                       
CONECT   30   29   29   26   72                                       
CONECT   31    7   73   74                                            
CONECT   32    9   75   76                                            
CONECT   33   15   12   77                                            
CONECT   34   17   78   79                                            
CONECT   35   17   17   80                                            
CONECT   36   16   17   81                                            
CONECT   37   11    4    1                                            
CONECT   38   12   12                                                 
CONECT   39    9    9                                                 
CONECT   40   11   11                                                 
CONECT   41   19   19                                                 
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
