COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.493  -1.597  -0.296  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.292  -1.132   0.939  1.00  0.00           C  
HETATM    3  N   UNL     1       0.940  -1.668   0.021  1.00  0.00           N  
HETATM    4  C   UNL     1       1.755  -1.520  -1.192  1.00  0.00           C  
HETATM    5  C   UNL     1       3.216  -1.598  -0.828  1.00  0.00           C  
HETATM    6  C   UNL     1       3.862  -2.820  -0.823  1.00  0.00           C  
HETATM    7  C   UNL     1       5.201  -2.893  -0.489  1.00  0.00           C  
HETATM    8  C   UNL     1       5.895  -1.743  -0.162  1.00  0.00           C  
HETATM    9  C   UNL     1       7.355  -1.822   0.203  1.00  0.00           C  
HETATM   10  F   UNL     1       8.132  -1.681  -0.952  1.00  0.00           F  
HETATM   11  F   UNL     1       7.667  -0.797   1.103  1.00  0.00           F  
HETATM   12  F   UNL     1       7.622  -3.060   0.796  1.00  0.00           F  
HETATM   13  C   UNL     1       5.249  -0.521  -0.168  1.00  0.00           C  
HETATM   14  C   UNL     1       3.911  -0.448  -0.506  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.041  -3.002  -0.622  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.405  -3.018  -0.035  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.255  -2.296   1.255  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.047   0.084   0.628  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.948   0.112  -0.527  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.325  -0.412  -0.112  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.236  -0.480  -1.339  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.592  -0.996  -0.930  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.577  -0.111  -0.535  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.821  -0.584  -0.160  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.079  -1.942  -0.181  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.094  -2.826  -0.577  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.852  -2.353  -0.956  1.00  0.00           C  
HETATM   28  S   UNL     1      -1.883   1.428   1.581  1.00  0.00           S  
HETATM   29  O   UNL     1      -3.125   2.115   1.525  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.292   0.988   2.797  1.00  0.00           O  
HETATM   31  C   UNL     1      -0.699   2.477   0.805  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.116   3.428  -0.110  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.194   4.252  -0.721  1.00  0.00           C  
HETATM   34  C   UNL     1       1.162   4.125  -0.416  1.00  0.00           C  
HETATM   35  C   UNL     1       2.155   5.005  -1.067  1.00  0.00           C  
HETATM   36  N   UNL     1       3.464   4.880  -0.771  1.00  0.00           N  
HETATM   37  O   UNL     1       1.792   5.842  -1.871  1.00  0.00           O  
HETATM   38  C   UNL     1       1.576   3.164   0.507  1.00  0.00           C  
HETATM   39  C   UNL     1       0.643   2.349   1.116  1.00  0.00           C  
HETATM   40  H   UNL     1      -0.661  -0.919  -1.133  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.621  -0.957   1.780  1.00  0.00           H  
HETATM   42  H   UNL     1       1.192  -0.979   0.713  1.00  0.00           H  
HETATM   43  H   UNL     1       1.512  -2.318  -1.893  1.00  0.00           H  
HETATM   44  H   UNL     1       1.547  -0.554  -1.653  1.00  0.00           H  
HETATM   45  H   UNL     1       3.320  -3.719  -1.079  1.00  0.00           H  
HETATM   46  H   UNL     1       5.706  -3.848  -0.484  1.00  0.00           H  
HETATM   47  H   UNL     1       5.791   0.378   0.088  1.00  0.00           H  
HETATM   48  H   UNL     1       3.407   0.507  -0.514  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.090  -3.150  -1.701  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.419  -3.770  -0.160  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.064  -2.549  -0.638  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.824  -2.952   2.010  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.219  -1.911   1.589  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.043   1.135  -0.890  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.544  -0.519  -1.319  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.220  -1.408   0.319  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.761   0.259   0.628  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.341   0.516  -1.769  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.800  -1.151  -2.079  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.376   0.950  -0.518  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.591   0.108   0.150  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.050  -2.311   0.113  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.295  -3.888  -0.593  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.083  -3.044  -1.269  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.165   3.525  -0.345  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.521   4.994  -1.435  1.00  0.00           H  
HETATM   67  H   UNL     1       3.754   4.212  -0.130  1.00  0.00           H  
HETATM   68  H   UNL     1       4.116   5.457  -1.198  1.00  0.00           H  
HETATM   69  H   UNL     1       2.624   3.060   0.748  1.00  0.00           H  
HETATM   70  H   UNL     1       0.962   1.608   1.834  1.00  0.00           H  
CONECT    1    2    3   15   40                                       
CONECT    2    1   17   18   41                                       
CONECT    3    1    4   42                                            
CONECT    4    3    5   43   44                                       
CONECT    5    4    6    6   14                                       
CONECT    6    5    5    7   45                                       
CONECT    7    6    8    8   46                                       
CONECT    8    7    7    9   13                                       
CONECT    9    8   10   11   12                                       
CONECT   10    9                                                      
CONECT   11    9                                                      
CONECT   12    9                                                      
CONECT   13    8   14   14   47                                       
CONECT   14    5   13   13   48                                       
CONECT   15    1   16   49   50                                       
CONECT   16   15   17   51                                            
CONECT   17    2   16   52   53                                       
CONECT   18    2   19   28                                            
CONECT   19   18   20   54   55                                       
CONECT   20   19   21   56   57                                       
CONECT   21   20   22   58   59                                       
CONECT   22   21   23   23   27                                       
CONECT   23   22   22   24   60                                       
CONECT   24   23   25   25   61                                       
CONECT   25   24   24   26   62                                       
CONECT   26   25   27   27   63                                       
CONECT   27   22   26   26   64                                       
CONECT   28   18   29   29   30                                       
CONECT   28   30   31                                                 
CONECT   29   28   28                                                 
CONECT   30   28   28                                                 
CONECT   31   28   32   32   39                                       
CONECT   32   31   31   33   65                                       
CONECT   33   32   34   34   66                                       
CONECT   34   33   33   35   38                                       
CONECT   35   34   36   37   37                                       
CONECT   36   35   67   68                                            
CONECT   37   35   35                                                 
CONECT   38   34   39   39   69                                       
CONECT   39   31   38   38   70                                       
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   38                                                      
CONECT   70   39                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
