COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.257   0.382   0.862  1.00  0.00           C  
HETATM    2  C   UNL     1       5.700   2.143   0.292  1.00  0.00           C  
HETATM    3  C   UNL     1       3.287   1.710   0.095  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.256   0.976  -0.913  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.493   0.885  -0.058  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.095   0.195  -0.675  1.00  0.00           C  
HETATM    7  C   UNL     1      12.616  -0.342   1.142  1.00  0.00           C  
HETATM    8  C   UNL     1      13.445  -1.621   1.059  1.00  0.00           C  
HETATM    9  C   UNL     1      13.399  -2.129  -0.387  1.00  0.00           C  
HETATM   10  C   UNL     1      11.984  -2.624  -0.676  1.00  0.00           C  
HETATM   11  C   UNL     1      10.965  -1.579  -0.294  1.00  0.00           C  
HETATM   12  C   UNL     1      11.252  -0.549   0.535  1.00  0.00           C  
HETATM   13  C   UNL     1       8.731  -0.844  -0.550  1.00  0.00           C  
HETATM   14  C   UNL     1       8.982   0.244   0.326  1.00  0.00           C  
HETATM   15  C   UNL     1       7.917   1.202   0.660  1.00  0.00           C  
HETATM   16  C   UNL     1       4.466   1.825  -0.512  1.00  0.00           C  
HETATM   17  N   UNL     1       9.717  -1.712  -0.825  1.00  0.00           N  
HETATM   18  N   UNL     1       6.721   1.123   0.043  1.00  0.00           N  
HETATM   19  O   UNL     1       7.625  -0.995  -1.040  1.00  0.00           O  
HETATM   20  O   UNL     1       8.116   2.066   1.493  1.00  0.00           O  
HETATM   21  C   UNL     1       2.084   1.400  -0.690  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.887   0.519   0.208  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.351   0.103   0.193  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.729  -0.338  -0.100  1.00  0.00           C  
HETATM   25  C   UNL     1     -11.078  -0.748  -0.214  1.00  0.00           C  
HETATM   26  C   UNL     1     -11.258  -2.207   0.259  1.00  0.00           C  
HETATM   27  C   UNL     1     -14.073   0.667   0.172  1.00  0.00           C  
HETATM   28  C   UNL     1     -12.862   0.985  -0.741  1.00  0.00           C  
HETATM   29  C   UNL     1     -12.181  -0.328  -1.184  1.00  0.00           C  
HETATM   30  C   UNL     1     -12.122  -2.240   1.547  1.00  0.00           C  
HETATM   31  C   UNL     1     -13.315  -1.457   1.066  1.00  0.00           C  
HETATM   32  C   UNL     1     -13.390  -0.203   1.196  1.00  0.00           C  
HETATM   33  N   UNL     1      -2.684   0.607  -0.623  1.00  0.00           N  
HETATM   34  N   UNL     1      -7.507  -0.208  -0.652  1.00  0.00           N  
HETATM   35  O   UNL     1       0.890   1.284  -0.075  1.00  0.00           O  
HETATM   36  O   UNL     1      -9.792  -0.623  -0.877  1.00  0.00           O  
HETATM   37  O   UNL     1       2.165   1.249  -1.893  1.00  0.00           O  
HETATM   38  O   UNL     1      -1.417   1.062   1.140  1.00  0.00           O  
HETATM   39  O   UNL     1      -8.873  -0.198   1.098  1.00  0.00           O  
HETATM   40  H   UNL     1      10.479   1.202   1.530  1.00  0.00           H  
HETATM   41  H   UNL     1       6.083   3.120  -0.001  1.00  0.00           H  
HETATM   42  H   UNL     1       5.449   2.155   1.353  1.00  0.00           H  
HETATM   43  H   UNL     1       3.215   1.845   1.164  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.092   0.024  -1.417  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.384   1.763  -1.656  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.223   0.982  -1.418  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.931  -0.758  -1.179  1.00  0.00           H  
HETATM   48  H   UNL     1      12.503  -0.054   2.187  1.00  0.00           H  
HETATM   49  H   UNL     1      13.131   0.454   0.604  1.00  0.00           H  
HETATM   50  H   UNL     1      14.476  -1.410   1.342  1.00  0.00           H  
HETATM   51  H   UNL     1      13.027  -2.375   1.727  1.00  0.00           H  
HETATM   52  H   UNL     1      13.651  -1.317  -1.070  1.00  0.00           H  
HETATM   53  H   UNL     1      14.108  -2.947  -0.512  1.00  0.00           H  
HETATM   54  H   UNL     1      11.891  -2.845  -1.739  1.00  0.00           H  
HETATM   55  H   UNL     1      11.799  -3.532  -0.103  1.00  0.00           H  
HETATM   56  H   UNL     1       4.538   1.691  -1.581  1.00  0.00           H  
HETATM   57  H   UNL     1       6.537   0.390  -0.565  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.051   1.471   0.712  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.759  -0.268   0.951  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.222  -0.684   0.936  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.515   1.055   0.698  1.00  0.00           H  
HETATM   62  H   UNL     1     -11.097  -0.088   0.653  1.00  0.00           H  
HETATM   63  H   UNL     1     -11.753  -2.783  -0.523  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.281  -2.643   0.468  1.00  0.00           H  
HETATM   65  H   UNL     1     -14.476   1.572   0.627  1.00  0.00           H  
HETATM   66  H   UNL     1     -14.845   0.118  -0.367  1.00  0.00           H  
HETATM   67  H   UNL     1     -13.205   1.530  -1.621  1.00  0.00           H  
HETATM   68  H   UNL     1     -12.146   1.597  -0.194  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.748  -0.187  -2.175  1.00  0.00           H  
HETATM   70  H   UNL     1     -12.930  -1.118  -1.235  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.397  -3.260   1.815  1.00  0.00           H  
HETATM   72  H   UNL     1     -11.622  -1.736   2.374  1.00  0.00           H  
HETATM   73  H   UNL     1     -14.131  -1.984   0.594  1.00  0.00           H  
HETATM   74  H   UNL     1     -12.952   0.260   2.067  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.745   0.466  -1.581  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.392  -0.320  -1.608  1.00  0.00           H  
HETATM   77  H   UNL     1       9.536  -2.455  -1.423  1.00  0.00           H  
CONECT    1   12   14   14   40                                       
CONECT    2   18   16   41   42                                       
CONECT    3   21   16   16   43                                       
CONECT    4   35    5   44   45                                       
CONECT    5   33    4   38   38                                       
CONECT    6   23   22   46   47                                       
CONECT    7    8   12   48   49                                       
CONECT    8    9    7   50   51                                       
CONECT    9    8   10   52   53                                       
CONECT   10    9   11   54   55                                       
CONECT   11   10   12   12   17                                       
CONECT   12    7   11   11    1                                       
CONECT   13   17   14   19   19                                       
CONECT   14    1    1   13   15                                       
CONECT   15   14   20   20   18                                       
CONECT   16    3    3    2   56                                       
CONECT   17   11   13   77                                            
CONECT   18   15    2   57                                            
CONECT   19   13   13                                                 
CONECT   20   15   15                                                 
CONECT   21    3   37   37   35                                       
CONECT   22    6   33   58   59                                       
CONECT   23   34    6   60   61                                       
CONECT   24   36   39   39   34                                       
CONECT   25   26   36   29   62                                       
CONECT   26   30   25   63   64                                       
CONECT   27   32   28   65   66                                       
CONECT   28   27   29   67   68                                       
CONECT   29   25   28   69   70                                       
CONECT   30   31   26   71   72                                       
CONECT   31   30   32   32   73                                       
CONECT   32   31   31   27   74                                       
CONECT   33   22    5   75                                            
CONECT   34   24   23   76                                            
CONECT   35   21    4                                                 
CONECT   36   25   24                                                 
CONECT   37   21   21                                                 
CONECT   38    5    5                                                 
CONECT   39   24   24                                                 
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   16                                                      
CONECT   57   18                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   17                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
