COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.423   2.240  -0.610  1.00  0.00           C  
HETATM    2  N   UNL     1       8.768   1.132  -1.512  1.00  0.00           N  
HETATM    3  C   UNL     1      10.065   1.365  -2.160  1.00  0.00           C  
HETATM    4  C   UNL     1       8.760  -0.151  -0.797  1.00  0.00           C  
HETATM    5  C   UNL     1       7.355  -0.472  -0.356  1.00  0.00           C  
HETATM    6  C   UNL     1       6.518  -1.193  -1.186  1.00  0.00           C  
HETATM    7  C   UNL     1       5.229  -1.487  -0.781  1.00  0.00           C  
HETATM    8  C   UNL     1       4.778  -1.059   0.453  1.00  0.00           C  
HETATM    9  C   UNL     1       5.615  -0.338   1.283  1.00  0.00           C  
HETATM   10  C   UNL     1       6.906  -0.049   0.882  1.00  0.00           C  
HETATM   11  C   UNL     1       3.372  -1.378   0.893  1.00  0.00           C  
HETATM   12  C   UNL     1       2.996  -1.060   2.342  1.00  0.00           C  
HETATM   13  C   UNL     1       2.444  -0.202   1.202  1.00  0.00           C  
HETATM   14  C   UNL     1       0.985  -0.358   0.857  1.00  0.00           C  
HETATM   15  O   UNL     1       0.587  -1.387   0.355  1.00  0.00           O  
HETATM   16  N   UNL     1       0.123   0.647   1.107  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.218   0.504   0.790  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.740  -0.548   0.261  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.065  -0.540   0.015  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.862  -1.558  -0.552  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.198  -1.376  -0.729  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.809  -0.177  -0.354  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.046   0.839   0.206  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.680   0.660   0.391  1.00  0.00           C  
HETATM   25  S   UNL     1      -2.450   1.730   1.060  1.00  0.00           S  
HETATM   26  C   UNL     1      -7.267   0.010  -0.553  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.044  -1.009  -1.111  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.400  -0.785  -1.276  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.938   0.429  -0.888  1.00  0.00           C  
HETATM   30  N   UNL     1      -9.179   1.372  -0.364  1.00  0.00           N  
HETATM   31  C   UNL     1      -7.885   1.202  -0.182  1.00  0.00           C  
HETATM   32  H   UNL     1       8.368   3.168  -1.179  1.00  0.00           H  
HETATM   33  H   UNL     1       7.459   2.041  -0.144  1.00  0.00           H  
HETATM   34  H   UNL     1       9.188   2.332   0.161  1.00  0.00           H  
HETATM   35  H   UNL     1      10.851   1.382  -1.405  1.00  0.00           H  
HETATM   36  H   UNL     1      10.264   0.566  -2.874  1.00  0.00           H  
HETATM   37  H   UNL     1      10.044   2.322  -2.682  1.00  0.00           H  
HETATM   38  H   UNL     1       9.122  -0.938  -1.458  1.00  0.00           H  
HETATM   39  H   UNL     1       9.409  -0.084   0.077  1.00  0.00           H  
HETATM   40  H   UNL     1       6.871  -1.527  -2.150  1.00  0.00           H  
HETATM   41  H   UNL     1       4.575  -2.050  -1.430  1.00  0.00           H  
HETATM   42  H   UNL     1       5.262  -0.003   2.248  1.00  0.00           H  
HETATM   43  H   UNL     1       7.560   0.514   1.530  1.00  0.00           H  
HETATM   44  H   UNL     1       2.928  -2.265   0.441  1.00  0.00           H  
HETATM   45  H   UNL     1       2.305  -1.738   2.843  1.00  0.00           H  
HETATM   46  H   UNL     1       3.765  -0.620   2.977  1.00  0.00           H  
HETATM   47  H   UNL     1       2.850   0.803   1.086  1.00  0.00           H  
HETATM   48  H   UNL     1       0.441   1.471   1.508  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.406  -2.491  -0.849  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.792  -2.166  -1.165  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.513   1.768   0.498  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.598  -1.947  -1.407  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.031  -1.549  -1.705  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.995   0.607  -1.015  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.298   1.997   0.255  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    4    1    3                                            
CONECT    3    2   35   36   37                                       
CONECT    4    5    2   38   39                                       
CONECT    5   10   10    6    4                                       
CONECT    6    7    7    5   40                                       
CONECT    7    8    6    6   41                                       
CONECT    8   11    9    9    7                                       
CONECT    9    8    8   10   42                                       
CONECT   10    9    5    5   43                                       
CONECT   11   12   13    8   44                                       
CONECT   12   13   11   45   46                                       
CONECT   13   14   12   11   47                                       
CONECT   14   16   15   15   13                                       
CONECT   15   14   14                                                 
CONECT   16   17   14   48                                            
CONECT   17   18   18   25   16                                       
CONECT   18   19   17   17                                            
CONECT   19   20   20   24   18                                       
CONECT   20   21   19   19   49                                       
CONECT   21   22   22   20   50                                       
CONECT   22   26   21   21   23                                       
CONECT   23   22   24   24   51                                       
CONECT   24   23   23   19   25                                       
CONECT   25   24   17                                                 
CONECT   26   27   22   31   31                                       
CONECT   27   28   28   26   52                                       
CONECT   28   27   27   29   53                                       
CONECT   29   28   30   30   54                                       
CONECT   30   29   29   31                                            
CONECT   31   26   26   30   55                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   16                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
