COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -8.468  -0.261   0.032  1.00  0.00           F  
HETATM    2  C   UNL     1      -7.361   0.513   0.006  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.442   1.821  -0.440  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.309   2.613  -0.467  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.147   0.001   0.430  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.015   0.794   0.402  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.096   2.099  -0.048  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.694   0.236   0.864  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.966  -0.399  -0.323  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.677  -0.942   0.127  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.949  -1.561  -0.989  1.00  0.00           C  
HETATM   12  C   UNL     1       0.365  -2.106  -0.490  1.00  0.00           C  
HETATM   13  C   UNL     1       0.441  -3.405  -0.022  1.00  0.00           C  
HETATM   14  C   UNL     1       1.644  -3.909   0.437  1.00  0.00           C  
HETATM   15  C   UNL     1       2.774  -3.115   0.429  1.00  0.00           C  
HETATM   16  C   UNL     1       1.493  -1.309  -0.506  1.00  0.00           C  
HETATM   17  C   UNL     1       2.702  -1.810  -0.040  1.00  0.00           C  
HETATM   18  N   UNL     1       3.844  -1.004  -0.049  1.00  0.00           N  
HETATM   19  C   UNL     1       3.749   0.332   0.290  1.00  0.00           C  
HETATM   20  N   UNL     1       2.618   0.815   0.732  1.00  0.00           N  
HETATM   21  C   UNL     1       4.921   1.211   0.154  1.00  0.00           C  
HETATM   22  S   UNL     1       6.505   0.714  -0.424  1.00  0.00           S  
HETATM   23  C   UNL     1       7.121   2.294  -0.234  1.00  0.00           C  
HETATM   24  C   UNL     1       6.181   3.121   0.233  1.00  0.00           C  
HETATM   25  C   UNL     1       4.950   2.541   0.450  1.00  0.00           C  
HETATM   26  H   UNL     1      -8.389   2.223  -0.768  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.371   3.633  -0.815  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.084  -1.018   0.782  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.211   2.717  -0.070  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.084   1.041   1.276  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.865  -0.519   1.631  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.575  -1.203  -0.735  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.794   0.356  -1.090  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.805  -1.597   0.883  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.544  -2.374  -1.405  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.763  -0.814  -1.760  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.442  -4.028  -0.015  1.00  0.00           H  
HETATM   38  H   UNL     1       1.700  -4.924   0.802  1.00  0.00           H  
HETATM   39  H   UNL     1       3.714  -3.509   0.788  1.00  0.00           H  
HETATM   40  H   UNL     1       1.434  -0.296  -0.876  1.00  0.00           H  
HETATM   41  H   UNL     1       4.703  -1.382  -0.293  1.00  0.00           H  
HETATM   42  H   UNL     1       1.872   0.220   0.908  1.00  0.00           H  
HETATM   43  H   UNL     1       8.136   2.587  -0.461  1.00  0.00           H  
HETATM   44  H   UNL     1       6.371   4.167   0.422  1.00  0.00           H  
HETATM   45  H   UNL     1       4.096   3.085   0.825  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    3    5    1                                       
CONECT    3    4    2    2   26                                       
CONECT    4    7    7    3   27                                       
CONECT    5    6    6    2   28                                       
CONECT    6    7    8    5    5                                       
CONECT    7    4    4    6   29                                       
CONECT    8    9    6   30   31                                       
CONECT    9   10    8   32   33                                       
CONECT   10   11    9   34                                            
CONECT   11   12   10   35   36                                       
CONECT   12   13   13   16   11                                       
CONECT   13   14   12   12   37                                       
CONECT   14   15   15   13   38                                       
CONECT   15   14   14   17   39                                       
CONECT   16   17   17   12   40                                       
CONECT   17   15   18   16   16                                       
CONECT   18   19   17   41                                            
CONECT   19   21   20   20   18                                       
CONECT   20   19   19   42                                            
CONECT   21   25   25   22   19                                       
CONECT   22   23   21                                                 
CONECT   23   24   24   22   43                                       
CONECT   24   23   23   25   44                                       
CONECT   25   24   21   21   45                                       
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
