COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.274   1.952   0.684  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.108   1.052   0.319  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.066   0.166   0.600  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.904   0.254  -0.161  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.837   1.989  -1.356  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.536  -1.365  -0.347  1.00  0.00           C  
HETATM    7  C   UNL     1       0.659  -2.943   0.249  1.00  0.00           C  
HETATM    8  C   UNL     1       0.842  -1.651  -0.214  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.252  -0.862  -0.512  1.00  0.00           C  
HETATM   10  C   UNL     1       2.235  -1.103  -0.386  1.00  0.00           C  
HETATM   11  C   UNL     1       4.274  -0.359   0.825  1.00  0.00           C  
HETATM   12  C   UNL     1       3.927   1.114   0.596  1.00  0.00           C  
HETATM   13  C   UNL     1       6.580   1.598   1.413  1.00  0.00           C  
HETATM   14  O   UNL     1      -8.260   1.008   1.031  1.00  0.00           O  
HETATM   15  N   UNL     1      -4.831   1.173  -1.123  1.00  0.00           N  
HETATM   16  N   UNL     1      -6.952   1.941  -0.653  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.765  -0.662   0.094  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.842  -1.496   0.974  1.00  0.00           O  
HETATM   19  N   UNL     1      -2.645  -0.568  -0.649  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.717  -2.663   0.112  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.621  -3.449   0.409  1.00  0.00           C  
HETATM   22  F   UNL     1       1.730  -3.714   0.540  1.00  0.00           F  
HETATM   23  C   UNL     1       2.994  -1.964  -1.398  1.00  0.00           C  
HETATM   24  F   UNL     1       3.063  -3.281  -0.932  1.00  0.00           F  
HETATM   25  C   UNL     1       2.964  -1.145   0.959  1.00  0.00           C  
HETATM   26  C   UNL     1       3.393   1.718   1.897  1.00  0.00           C  
HETATM   27  C   UNL     1       2.881   1.233  -0.474  1.00  0.00           C  
HETATM   28  N   UNL     1       2.691   2.461  -1.051  1.00  0.00           N  
HETATM   29  N   UNL     1       2.156   0.264  -0.881  1.00  0.00           N  
HETATM   30  S   UNL     1       5.417   2.013   0.084  1.00  0.00           S  
HETATM   31  O   UNL     1       5.893   1.446  -1.128  1.00  0.00           O  
HETATM   32  O   UNL     1       5.146   3.407   0.139  1.00  0.00           O  
HETATM   33  H   UNL     1     -10.141   1.808   1.330  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.889   2.963   0.814  1.00  0.00           H  
HETATM   35  H   UNL     1      -9.567   1.805  -0.355  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.159  -0.567   1.388  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.743   2.726  -2.140  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.108   0.146  -0.874  1.00  0.00           H  
HETATM   39  H   UNL     1       4.846  -0.738  -0.023  1.00  0.00           H  
HETATM   40  H   UNL     1       4.860  -0.461   1.739  1.00  0.00           H  
HETATM   41  H   UNL     1       7.536   2.085   1.224  1.00  0.00           H  
HETATM   42  H   UNL     1       6.180   1.942   2.367  1.00  0.00           H  
HETATM   43  H   UNL     1       6.722   0.518   1.447  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.608   0.053  -1.394  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.714  -3.058   0.236  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.761  -4.457   0.770  1.00  0.00           H  
HETATM   47  H   UNL     1       2.473  -1.944  -2.355  1.00  0.00           H  
HETATM   48  H   UNL     1       4.003  -1.570  -1.525  1.00  0.00           H  
HETATM   49  H   UNL     1       2.340  -0.691   1.728  1.00  0.00           H  
HETATM   50  H   UNL     1       3.182  -2.180   1.226  1.00  0.00           H  
HETATM   51  H   UNL     1       4.155   1.640   2.673  1.00  0.00           H  
HETATM   52  H   UNL     1       3.145   2.767   1.736  1.00  0.00           H  
HETATM   53  H   UNL     1       2.500   1.177   2.209  1.00  0.00           H  
HETATM   54  H   UNL     1       3.267   3.203  -0.811  1.00  0.00           H  
HETATM   55  H   UNL     1       1.982   2.587  -1.700  1.00  0.00           H  
CONECT    1   14   33   34   35                                       
CONECT    2    3   14   16   16                                       
CONECT    3    4    4    2   36                                       
CONECT    4   17    3    3   15                                       
CONECT    5   15   15   16   37                                       
CONECT    6   20   20    9   19                                       
CONECT    7   22   21   21    8                                       
CONECT    8    7   10    9    9                                       
CONECT    9    8    8    6   38                                       
CONECT   10   25    8   29   23                                       
CONECT   11   12   25   39   40                                       
CONECT   12   30   11   26   27                                       
CONECT   13   30   41   42   43                                       
CONECT   14    2    1                                                 
CONECT   15    4    5    5                                            
CONECT   16    2    2    5                                            
CONECT   17   19   18   18    4                                       
CONECT   18   17   17                                                 
CONECT   19    6   17   44                                            
CONECT   20   21    6    6   45                                       
CONECT   21    7    7   20   46                                       
CONECT   22    7                                                      
CONECT   23   10   24   47   48                                       
CONECT   24   23                                                      
CONECT   25   11   10   49   50                                       
CONECT   26   12   51   52   53                                       
CONECT   27   12   28   29   29                                       
CONECT   28   27   54   55                                            
CONECT   29   27   27   10                                            
CONECT   30   32   32   13   31                                       
CONECT   30   31   12                                                 
CONECT   31   30   30                                                 
CONECT   32   30   30                                                 
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
