COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.818   0.044  -0.044  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.248  -0.242   1.419  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.571  -1.700   1.547  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.832  -2.398   0.432  1.00  0.00           N  
HETATM    5  S   UNL     1      -6.662  -1.362  -0.876  1.00  0.00           S  
HETATM    6  O   UNL     1      -8.004  -1.051  -1.224  1.00  0.00           O  
HETATM    7  O   UNL     1      -5.790  -2.071  -1.745  1.00  0.00           O  
HETATM    8  O   UNL     1      -6.597  -2.236   2.635  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.322  -0.036  -0.205  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.624   1.037  -0.727  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.251   0.963  -0.874  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.577  -0.184  -0.500  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.275  -1.259   0.017  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.647  -1.184   0.168  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.080  -0.265  -0.660  1.00  0.00           C  
HETATM   16  C   UNL     1       0.597   0.243   0.614  1.00  0.00           C  
HETATM   17  N   UNL     1       0.303   1.667   0.790  1.00  0.00           N  
HETATM   18  C   UNL     1       6.376  -1.270   0.027  1.00  0.00           C  
HETATM   19  C   UNL     1       5.101  -1.761  -0.009  1.00  0.00           C  
HETATM   20  C   UNL     1       4.020  -0.905   0.216  1.00  0.00           C  
HETATM   21  C   UNL     1       4.257   0.456   0.476  1.00  0.00           C  
HETATM   22  C   UNL     1       5.559   0.936   0.508  1.00  0.00           C  
HETATM   23  C   UNL     1       6.611   0.073   0.284  1.00  0.00           C  
HETATM   24  N   UNL     1       2.675  -1.086   0.252  1.00  0.00           N  
HETATM   25  C   UNL     1       2.088   0.048   0.502  1.00  0.00           C  
HETATM   26  N   UNL     1       3.015   1.032   0.653  1.00  0.00           N  
HETATM   27  C   UNL     1       7.539  -2.198  -0.216  1.00  0.00           C  
HETATM   28  F   UNL     1       8.735  -1.478  -0.131  1.00  0.00           F  
HETATM   29  F   UNL     1       7.535  -3.212   0.747  1.00  0.00           F  
HETATM   30  F   UNL     1       7.425  -2.764  -1.490  1.00  0.00           F  
HETATM   31  C   UNL     1       0.677   2.554  -0.153  1.00  0.00           C  
HETATM   32  C   UNL     1       0.373   4.019   0.028  1.00  0.00           C  
HETATM   33  O   UNL     1       1.257   2.174  -1.148  1.00  0.00           O  
HETATM   34  F   UNL     1       0.993   4.483   1.193  1.00  0.00           F  
HETATM   35  F   UNL     1      -1.010   4.200   0.132  1.00  0.00           F  
HETATM   36  F   UNL     1       0.855   4.735  -1.073  1.00  0.00           F  
HETATM   37  H   UNL     1      -6.202   1.003  -0.392  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.433   0.014   2.097  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.128   0.352   1.666  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.076  -3.336   0.389  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.151   1.933  -1.019  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.706   1.802  -1.282  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.748  -2.156   0.309  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.192  -2.022   0.576  1.00  0.00           H  
HETATM   45  H   UNL     1       0.228   0.351  -1.506  1.00  0.00           H  
HETATM   46  H   UNL     1       0.211  -1.300  -0.839  1.00  0.00           H  
HETATM   47  H   UNL     1       0.222  -0.315   1.472  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.162   1.971   1.585  1.00  0.00           H  
HETATM   49  H   UNL     1       4.930  -2.808  -0.211  1.00  0.00           H  
HETATM   50  H   UNL     1       5.747   1.980   0.707  1.00  0.00           H  
HETATM   51  H   UNL     1       7.625   0.445   0.309  1.00  0.00           H  
HETATM   52  H   UNL     1       2.837   1.965   0.848  1.00  0.00           H  
CONECT    1    2    5    9   37                                       
CONECT    2    1    3   38   39                                       
CONECT    3    2    4    8    8                                       
CONECT    4    3    5   40                                            
CONECT    5    1    4    6    6                                       
CONECT    5    7    7                                                 
CONECT    6    5    5                                                 
CONECT    7    5    5                                                 
CONECT    8    3    3                                                 
CONECT    9    1   10   10   14                                       
CONECT   10    9    9   11   41                                       
CONECT   11   10   12   12   42                                       
CONECT   12   11   11   13   15                                       
CONECT   13   12   14   14   43                                       
CONECT   14    9   13   13   44                                       
CONECT   15   12   16   45   46                                       
CONECT   16   15   17   25   47                                       
CONECT   17   16   31   48                                            
CONECT   18   19   19   23   27                                       
CONECT   19   18   18   20   49                                       
CONECT   20   19   21   21   24                                       
CONECT   21   20   20   22   26                                       
CONECT   22   21   23   23   50                                       
CONECT   23   18   22   22   51                                       
CONECT   24   20   25   25                                            
CONECT   25   16   24   24   26                                       
CONECT   26   21   25   52                                            
CONECT   27   18   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   17   32   33   33                                       
CONECT   32   31   34   35   36                                       
CONECT   33   31   31                                                 
CONECT   34   32                                                      
CONECT   35   32                                                      
CONECT   36   32                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    4                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   19                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   26                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
