COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.610  -2.078   0.825  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.017   1.170  -1.113  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.717   1.634   0.002  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.909   1.951   1.893  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.943   4.464   1.975  1.00  0.00           C  
HETATM    6  O   UNL     1       3.716  -0.012  -1.846  1.00  0.00           O  
HETATM    7  C   UNL     1       4.203   0.159  -0.744  1.00  0.00           C  
HETATM    8  C   UNL     1       5.636   0.437  -0.613  1.00  0.00           C  
HETATM    9  S   UNL     1       6.378   1.387   0.668  1.00  0.00           S  
HETATM   10  C   UNL     1       7.933   1.151   0.006  1.00  0.00           C  
HETATM   11  C   UNL     1       7.873   0.405  -1.103  1.00  0.00           C  
HETATM   12  C   UNL     1       6.611  -0.006  -1.462  1.00  0.00           C  
HETATM   13  N   UNL     1       3.426   0.094   0.354  1.00  0.00           N  
HETATM   14  C   UNL     1       2.063  -0.226   0.246  1.00  0.00           C  
HETATM   15  C   UNL     1       1.460  -0.199  -1.006  1.00  0.00           C  
HETATM   16  C   UNL     1       0.124  -0.515  -1.139  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.618  -0.862  -0.017  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.973  -1.186  -0.147  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.355  -3.533   0.426  1.00  0.00           C  
HETATM   20  F   UNL     1      -0.986  -3.807   0.515  1.00  0.00           F  
HETATM   21  F   UNL     1      -3.057  -4.383   1.288  1.00  0.00           F  
HETATM   22  F   UNL     1      -2.788  -3.739  -0.888  1.00  0.00           F  
HETATM   23  S   UNL     1      -2.857  -0.561  -1.400  1.00  0.00           S  
HETATM   24  C   UNL     1      -4.420   0.978   1.107  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.577   3.175   1.381  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.848   3.017   0.224  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.273   3.908  -0.676  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.586   3.429  -1.770  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.461   2.064  -1.985  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.163  -1.109  -1.283  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.056  -0.702  -2.566  1.00  0.00           O  
HETATM   32  C   UNL     1      -0.016  -0.888   1.233  1.00  0.00           C  
HETATM   33  C   UNL     1       1.324  -0.569   1.368  1.00  0.00           C  
HETATM   34  C   UNL     1       1.944  -0.597   2.740  1.00  0.00           C  
HETATM   35  C   UNL     1       3.464  -0.724   2.639  1.00  0.00           C  
HETATM   36  C   UNL     1       3.991   0.352   1.686  1.00  0.00           C  
HETATM   37  H   UNL     1      -2.193  -1.894   1.815  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.684  -1.889   0.843  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.479   1.790   2.796  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.165   4.777   2.671  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.048   5.210   1.188  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.888   4.362   2.508  1.00  0.00           H  
HETATM   43  H   UNL     1       8.844   1.551   0.427  1.00  0.00           H  
HETATM   44  H   UNL     1       8.752   0.142  -1.672  1.00  0.00           H  
HETATM   45  H   UNL     1       6.410  -0.617  -2.330  1.00  0.00           H  
HETATM   46  H   UNL     1       2.039   0.070  -1.877  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.344  -0.493  -2.112  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.525  -0.086   1.261  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.365   4.973  -0.518  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.140   4.123  -2.467  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.919   1.705  -2.847  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.595  -1.158   2.103  1.00  0.00           H  
HETATM   53  H   UNL     1       1.694   0.324   3.266  1.00  0.00           H  
HETATM   54  H   UNL     1       1.548  -1.447   3.296  1.00  0.00           H  
HETATM   55  H   UNL     1       3.908  -0.589   3.625  1.00  0.00           H  
HETATM   56  H   UNL     1       3.723  -1.710   2.252  1.00  0.00           H  
HETATM   57  H   UNL     1       5.079   0.305   1.642  1.00  0.00           H  
HETATM   58  H   UNL     1       3.676   1.337   2.031  1.00  0.00           H  
CONECT    1   18   19   37   38                                       
CONECT    2   23    3    3   29                                       
CONECT    3   24    2    2   26                                       
CONECT    4   24   24   25   39                                       
CONECT    5   25   40   41   42                                       
CONECT    6    7    7                                                 
CONECT    7   13    8    6    6                                       
CONECT    8   12   12    7    9                                       
CONECT    9    8   10                                                 
CONECT   10   11   11    9   43                                       
CONECT   11   12   10   10   44                                       
CONECT   12    8    8   11   45                                       
CONECT   13   14   36    7                                            
CONECT   14   33   33   15   13                                       
CONECT   15   16   16   14   46                                       
CONECT   16   17   15   15   47                                       
CONECT   17   18   32   32   16                                       
CONECT   18   23    1   17                                            
CONECT   19   22    1   20   21                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   19                                                      
CONECT   23   31   31   30   30                                       
CONECT   23    2   18                                                 
CONECT   24    3    4    4   48                                       
CONECT   25    4   26    5                                            
CONECT   26    3   25   27   27                                       
CONECT   27   26   26   28   49                                       
CONECT   28   29   29   27   50                                       
CONECT   29    2   28   28   51                                       
CONECT   30   23   23                                                 
CONECT   31   23   23                                                 
CONECT   32   17   17   33   52                                       
CONECT   33   32   34   14   14                                       
CONECT   34   33   35   53   54                                       
CONECT   35   34   36   55   56                                       
CONECT   36   35   13   57   58                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   24                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
CONECT   52   32                                                      
CONECT   53   34                                                      
CONECT   54   34                                                      
CONECT   55   35                                                      
CONECT   56   35                                                      
CONECT   57   36                                                      
CONECT   58   36                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
