COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.775  -0.362   1.416  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.148   0.484   0.561  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.558   0.579   0.229  1.00  0.00           C  
HETATM    4  O   UNL     1       2.906   1.370  -1.691  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.278   1.388   0.448  1.00  0.00           C  
HETATM    6  O   UNL     1       4.534  -1.878   1.763  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.938   1.041   0.758  1.00  0.00           C  
HETATM    8  O   UNL     1       2.267  -1.324   0.568  1.00  0.00           O  
HETATM    9  C   UNL     1       1.483   0.864   0.975  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.829   2.249   0.832  1.00  0.00           O  
HETATM   11  C   UNL     1       1.737   1.293   2.422  1.00  0.00           C  
HETATM   12  C   UNL     1       3.088   2.003   2.514  1.00  0.00           C  
HETATM   13  C   UNL     1       3.039   3.300   1.704  1.00  0.00           C  
HETATM   14  C   UNL     1       3.395   2.328   3.977  1.00  0.00           C  
HETATM   15  C   UNL     1       2.527  -0.139   0.558  1.00  0.00           C  
HETATM   16  C   UNL     1       4.729  -0.685  -0.329  1.00  0.00           C  
HETATM   17  C   UNL     1       5.727   0.031  -1.242  1.00  0.00           C  
HETATM   18  C   UNL     1       5.012   0.501  -2.510  1.00  0.00           C  
HETATM   19  C   UNL     1       3.997   1.573  -2.179  1.00  0.00           C  
HETATM   20  C   UNL     1       5.834   2.685  -3.065  1.00  0.00           C  
HETATM   21  C   UNL     1       6.007   1.202  -3.464  1.00  0.00           C  
HETATM   22  C   UNL     1       5.476  -1.316   0.848  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.430  -0.241  -1.056  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.268   0.542  -0.151  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.278  -0.329  -0.484  1.00  0.00           C  
HETATM   26  C   UNL     1     -10.612  -0.644  -0.693  1.00  0.00           C  
HETATM   27  C   UNL     1     -10.995  -1.964  -0.815  1.00  0.00           C  
HETATM   28  C   UNL     1     -10.054  -2.979  -0.729  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.725  -2.685  -0.522  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.321  -1.354  -0.393  1.00  0.00           C  
HETATM   31  S   UNL     1      -5.968   1.706   0.087  1.00  0.00           S  
HETATM   32  N   UNL     1       0.154   0.258   0.872  1.00  0.00           N  
HETATM   33  N   UNL     1       3.749   0.280   0.175  1.00  0.00           N  
HETATM   34  N   UNL     1       4.481   2.784  -2.505  1.00  0.00           N  
HETATM   35  N   UNL     1      -8.585   0.860  -0.325  1.00  0.00           N  
HETATM   36  N   UNL     1      -7.116  -0.759  -0.194  1.00  0.00           N  
HETATM   37  S   UNL     1       6.578  -2.620   0.236  1.00  0.00           S  
HETATM   38  H   UNL     1      -4.867   0.222   2.331  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.688  -0.938   1.260  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.927  -1.041   1.501  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.370   1.973   1.363  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.124   2.059  -0.398  1.00  0.00           H  
HETATM   43  H   UNL     1       3.912  -1.237   2.131  1.00  0.00           H  
HETATM   44  H   UNL     1       1.536   1.736   0.324  1.00  0.00           H  
HETATM   45  H   UNL     1       0.947   1.971   2.744  1.00  0.00           H  
HETATM   46  H   UNL     1       1.744   0.413   3.066  1.00  0.00           H  
HETATM   47  H   UNL     1       3.868   1.355   2.115  1.00  0.00           H  
HETATM   48  H   UNL     1       2.310   3.979   2.148  1.00  0.00           H  
HETATM   49  H   UNL     1       4.023   3.769   1.709  1.00  0.00           H  
HETATM   50  H   UNL     1       2.748   3.076   0.677  1.00  0.00           H  
HETATM   51  H   UNL     1       3.431   1.404   4.555  1.00  0.00           H  
HETATM   52  H   UNL     1       4.358   2.835   4.043  1.00  0.00           H  
HETATM   53  H   UNL     1       2.616   2.977   4.377  1.00  0.00           H  
HETATM   54  H   UNL     1       4.216  -1.464  -0.893  1.00  0.00           H  
HETATM   55  H   UNL     1       6.144   0.892  -0.719  1.00  0.00           H  
HETATM   56  H   UNL     1       6.531  -0.655  -1.510  1.00  0.00           H  
HETATM   57  H   UNL     1       4.530  -0.339  -3.009  1.00  0.00           H  
HETATM   58  H   UNL     1       6.574   2.963  -2.315  1.00  0.00           H  
HETATM   59  H   UNL     1       5.927   3.325  -3.943  1.00  0.00           H  
HETATM   60  H   UNL     1       7.027   0.865  -3.280  1.00  0.00           H  
HETATM   61  H   UNL     1       5.727   1.043  -4.505  1.00  0.00           H  
HETATM   62  H   UNL     1       6.065  -0.552   1.356  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.342  -0.817  -1.212  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.275   0.430  -1.901  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.582  -0.920  -0.971  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.349   0.142  -0.760  1.00  0.00           H  
HETATM   67  H   UNL     1     -12.034  -2.208  -0.977  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.366  -4.009  -0.826  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.998  -3.480  -0.456  1.00  0.00           H  
HETATM   70  H   UNL     1       0.058  -0.708   0.885  1.00  0.00           H  
HETATM   71  H   UNL     1       3.980   1.220   0.233  1.00  0.00           H  
HETATM   72  H   UNL     1       3.998   3.617  -2.385  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.965   1.753  -0.335  1.00  0.00           H  
HETATM   74  O   UNL     1       7.239  -3.262   1.317  1.00  0.00           O  
HETATM   75  O   UNL     1       5.939  -3.375  -0.784  1.00  0.00           O  
HETATM   76  O   UNL     1       7.687  -1.871  -0.491  1.00  0.00           O  
HETATM   77  H   UNL     1       8.361  -2.446  -0.877  1.00  0.00           H  
CONECT    1    3   38   39   40                                       
CONECT    2    5    7                                                 
CONECT    3    1   31    5   23                                       
CONECT    4   19   19                                                 
CONECT    5    3    2   41   42                                       
CONECT    6   22   43                                                 
CONECT    7    2   32   10   10                                       
CONECT    8   15   15                                                 
CONECT    9   32   15   11   44                                       
CONECT   10    7    7                                                 
CONECT   11    9   12   45   46                                       
CONECT   12   11   13   14   47                                       
CONECT   13   12   48   49   50                                       
CONECT   14   12   51   52   53                                       
CONECT   15    8    8    9   33                                       
CONECT   16   33   17   22   54                                       
CONECT   17   18   16   55   56                                       
CONECT   18   21   19   17   57                                       
CONECT   19   34   18    4    4                                       
CONECT   20   21   34   58   59                                       
CONECT   21   20   18   60   61                                       
CONECT   22   16    6   37   62                                       
CONECT   23    3   63   64   65                                       
CONECT   24   35   36   36   31                                       
CONECT   25   26   35   30   30                                       
CONECT   26   27   27   25   66                                       
CONECT   27   26   26   28   67                                       
CONECT   28   27   29   29   68                                       
CONECT   29   28   28   30   69                                       
CONECT   30   25   25   29   36                                       
CONECT   31   24    3                                                 
CONECT   32    7    9   70                                            
CONECT   33   15   16   71                                            
CONECT   34   20   19   72                                            
CONECT   35   25   24   73                                            
CONECT   36   30   24   24                                            
CONECT   37   22   74   74   75                                       
CONECT   37   75   76                                                 
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   37   37                                                 
CONECT   75   37   37                                                 
CONECT   76   37   77                                                 
CONECT   77   76                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
