COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.020  -4.158   0.014  1.00  0.00           C  
HETATM    2  C   UNL     1       1.403  -0.740   0.666  1.00  0.00           C  
HETATM    3  C   UNL     1       2.272   0.973   2.111  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.115   1.385   0.706  1.00  0.00           C  
HETATM    5  O   UNL     1      -4.724  -1.995  -2.789  1.00  0.00           O  
HETATM    6  C   UNL     1      -4.988  -0.606  -2.582  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.634  -0.229  -1.142  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.227  -0.380  -0.941  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.791  -0.077   0.385  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.380  -0.284   0.482  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.933  -1.558   0.328  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.829  -2.586   0.089  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.372  -3.881  -0.067  1.00  0.00           C  
HETATM   14  C   UNL     1       0.885  -3.143   0.252  1.00  0.00           C  
HETATM   15  C   UNL     1       2.358  -3.451   0.339  1.00  0.00           C  
HETATM   16  F   UNL     1       2.838  -3.080   1.600  1.00  0.00           F  
HETATM   17  F   UNL     1       2.560  -4.821   0.147  1.00  0.00           F  
HETATM   18  F   UNL     1       3.043  -2.735  -0.650  1.00  0.00           F  
HETATM   19  C   UNL     1       0.435  -1.835   0.411  1.00  0.00           C  
HETATM   20  C   UNL     1       2.340  -0.396  -0.305  1.00  0.00           C  
HETATM   21  C   UNL     1       3.239   0.632  -0.062  1.00  0.00           C  
HETATM   22  N   UNL     1       4.180   0.982  -1.034  1.00  0.00           N  
HETATM   23  S   UNL     1       4.425   2.575  -1.414  1.00  0.00           S  
HETATM   24  O   UNL     1       5.383   2.542  -2.463  1.00  0.00           O  
HETATM   25  C   UNL     1       2.819   3.145  -2.036  1.00  0.00           C  
HETATM   26  O   UNL     1       4.724   3.190  -0.168  1.00  0.00           O  
HETATM   27  C   UNL     1       3.202   1.315   1.147  1.00  0.00           C  
HETATM   28  C   UNL     1       1.374  -0.049   1.877  1.00  0.00           C  
HETATM   29  N   UNL     1      -2.723   1.682   2.086  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.455   2.044   2.363  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.051   2.350   3.782  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.638   2.124   1.470  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.621   1.614   0.541  1.00  0.00           C  
HETATM   34  O   UNL     1      -4.922   2.992   0.767  1.00  0.00           O  
HETATM   35  C   UNL     1      -5.032   1.226  -0.882  1.00  0.00           C  
HETATM   36  O   UNL     1      -4.369   2.077  -1.820  1.00  0.00           O  
HETATM   37  H   UNL     1       0.330  -5.173  -0.105  1.00  0.00           H  
HETATM   38  H   UNL     1       2.247   1.507   3.049  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.571   2.038   0.024  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.925  -2.305  -3.683  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.384  -0.015  -3.271  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.044  -0.406  -2.761  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.171  -0.881  -0.453  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.304  -0.727   1.094  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.887  -2.375   0.024  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.075  -4.680  -0.253  1.00  0.00           H  
HETATM   47  H   UNL     1       2.366  -0.928  -1.245  1.00  0.00           H  
HETATM   48  H   UNL     1       4.689   0.291  -1.486  1.00  0.00           H  
HETATM   49  H   UNL     1       2.084   3.107  -1.233  1.00  0.00           H  
HETATM   50  H   UNL     1       2.912   4.169  -2.396  1.00  0.00           H  
HETATM   51  H   UNL     1       2.497   2.500  -2.854  1.00  0.00           H  
HETATM   52  H   UNL     1       3.902   2.116   1.335  1.00  0.00           H  
HETATM   53  H   UNL     1       0.649  -0.314   2.632  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.376   1.618   2.800  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.912   2.225   4.440  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.257   1.668   4.089  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.692   3.377   3.845  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.164   0.999   1.259  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.860   3.209   0.679  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.111   1.333  -0.992  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.580   1.884  -2.743  1.00  0.00           H  
CONECT    1   13   13   14   37                                       
CONECT    2   19   20   20   28                                       
CONECT    3   28   28   27   38                                       
CONECT    4    9   29   33   39                                       
CONECT    5    6   40                                                 
CONECT    6    7    5   41   42                                       
CONECT    7    6    8   35   43                                       
CONECT    8    7    9                                                 
CONECT    9    8   10    4   44                                       
CONECT   10   11    9                                                 
CONECT   11   12   12   19   10                                       
CONECT   12   13   11   11   45                                       
CONECT   13    1    1   12   46                                       
CONECT   14    1   15   19   19                                       
CONECT   15   18   14   17   16                                       
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18   15                                                      
CONECT   19   14   14   11    2                                       
CONECT   20    2    2   21   47                                       
CONECT   21   20   22   27   27                                       
CONECT   22   21   23   48                                            
CONECT   23   25   22   24   24                                       
CONECT   23   26   26                                                 
CONECT   24   23   23                                                 
CONECT   25   23   49   50   51                                       
CONECT   26   23   23                                                 
CONECT   27   21   21    3   52                                       
CONECT   28    2    3    3   53                                       
CONECT   29    4   30   54                                            
CONECT   30   29   31   32   32                                       
CONECT   31   30   55   56   57                                       
CONECT   32   30   30                                                 
CONECT   33   35    4   34   58                                       
CONECT   34   33   59                                                 
CONECT   35    7   33   36   60                                       
CONECT   36   35   61                                                 
CONECT   37    1                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    9                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   20                                                      
CONECT   48   22                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
CONECT   57   31                                                      
CONECT   58   33                                                      
CONECT   59   34                                                      
CONECT   60   35                                                      
CONECT   61   36                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
