COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.227   0.551  -0.574  1.00  0.00           C  
HETATM    2  C   UNL     1       0.107   4.637  -0.511  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.596   2.562   1.880  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.600   1.838   0.980  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.430   0.865   1.821  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.527   2.862   0.323  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.031   0.148   0.366  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.374  -1.581  -0.086  1.00  0.00           C  
HETATM    9  C   UNL     1       0.047  -1.268  -0.558  1.00  0.00           C  
HETATM   10  C   UNL     1       2.771   1.919  -0.158  1.00  0.00           C  
HETATM   11  C   UNL     1       1.900   3.003  -0.739  1.00  0.00           C  
HETATM   12  C   UNL     1       0.916   3.619   0.053  1.00  0.00           C  
HETATM   13  C   UNL     1       0.719   3.245   1.394  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.243   3.864   2.130  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.039   4.865   1.576  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.873   5.256   0.283  1.00  0.00           C  
HETATM   17  C   UNL     1       0.305   5.011  -1.850  1.00  0.00           C  
HETATM   18  C   UNL     1       1.268   4.392  -2.588  1.00  0.00           C  
HETATM   19  C   UNL     1       2.063   3.392  -2.033  1.00  0.00           C  
HETATM   20  C   UNL     1       3.181  -0.526  -0.125  1.00  0.00           C  
HETATM   21  C   UNL     1       5.113  -1.715  -0.457  1.00  0.00           C  
HETATM   22  C   UNL     1       6.354  -2.005  -1.260  1.00  0.00           C  
HETATM   23  C   UNL     1       7.565  -1.901  -0.369  1.00  0.00           C  
HETATM   24  C   UNL     1       8.224  -0.690  -0.219  1.00  0.00           C  
HETATM   25  C   UNL     1       9.333  -0.641   0.611  1.00  0.00           C  
HETATM   26  C   UNL     1       9.743  -1.792   1.257  1.00  0.00           C  
HETATM   27  C   UNL     1       8.030  -3.009   0.312  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.824  -2.919  -0.675  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.163  -3.298  -0.095  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.348  -2.857  -0.707  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.320  -2.059  -1.863  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.488  -1.651  -2.428  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.717  -2.011  -1.877  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.783  -2.783  -0.758  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.597  -3.224  -0.146  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.626  -4.022   1.010  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.457  -4.431   1.575  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.229  -4.076   1.020  1.00  0.00           C  
HETATM   39  N   UNL     1      -2.281  -0.520  -0.533  1.00  0.00           N  
HETATM   40  N   UNL     1       4.292  -0.787  -0.844  1.00  0.00           N  
HETATM   41  N   UNL     1       9.092  -2.927   1.090  1.00  0.00           N  
HETATM   42  O   UNL     1      -3.886   1.102  -0.048  1.00  0.00           O  
HETATM   43  O   UNL     1      -2.936  -0.111   1.549  1.00  0.00           O  
HETATM   44  O   UNL     1       2.949  -1.160   0.883  1.00  0.00           O  
HETATM   45  S   UNL     1       0.607   0.284   0.196  1.00  0.00           S  
HETATM   46  H   UNL     1       2.124   0.516  -1.659  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.046   3.297   1.292  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.128   3.066   2.686  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.898   1.838   2.301  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.052   1.427   2.518  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.064   0.268   1.166  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.763   0.208   2.379  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.937   3.555  -0.276  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.243   2.347  -0.317  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.063   3.415   1.095  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.391  -1.639   1.002  1.00  0.00           H  
HETATM   57  H   UNL     1       0.715  -2.077  -0.261  1.00  0.00           H  
HETATM   58  H   UNL     1       0.056  -1.169  -1.643  1.00  0.00           H  
HETATM   59  H   UNL     1       2.769   1.995   0.929  1.00  0.00           H  
HETATM   60  H   UNL     1       3.790   2.033  -0.529  1.00  0.00           H  
HETATM   61  H   UNL     1       1.328   2.471   1.837  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.393   3.575   3.160  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.794   5.342   2.184  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.497   6.034  -0.133  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.305   5.785  -2.294  1.00  0.00           H  
HETATM   66  H   UNL     1       1.417   4.681  -3.617  1.00  0.00           H  
HETATM   67  H   UNL     1       2.820   2.917  -2.640  1.00  0.00           H  
HETATM   68  H   UNL     1       4.907  -2.278   0.441  1.00  0.00           H  
HETATM   69  H   UNL     1       6.293  -3.012  -1.673  1.00  0.00           H  
HETATM   70  H   UNL     1       6.438  -1.284  -2.073  1.00  0.00           H  
HETATM   71  H   UNL     1       7.881   0.194  -0.736  1.00  0.00           H  
HETATM   72  H   UNL     1       9.870   0.286   0.752  1.00  0.00           H  
HETATM   73  H   UNL     1      10.606  -1.762   1.905  1.00  0.00           H  
HETATM   74  H   UNL     1       7.520  -3.955   0.204  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.910  -2.829  -1.758  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.092  -3.688  -0.432  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.375  -1.771  -2.301  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.464  -1.038  -3.317  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.629  -1.673  -2.345  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.742  -3.054  -0.342  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.570  -4.309   1.448  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.482  -5.049   2.460  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.316  -4.413   1.488  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.342  -0.299  -1.475  1.00  0.00           H  
CONECT    1   10   45   20   46                                       
CONECT    2   16   17   17   12                                       
CONECT    3    4   47   48   49                                       
CONECT    4    6    3    5   42                                       
CONECT    5    4   50   51   52                                       
CONECT    6    4   53   54   55                                       
CONECT    7   42   39   43   43                                       
CONECT    8   28   39    9   56                                       
CONECT    9    8   45   57   58                                       
CONECT   10   11    1   59   60                                       
CONECT   11   12   12   19   10                                       
CONECT   12   13    2   11   11                                       
CONECT   13   14   14   12   61                                       
CONECT   14   15   13   13   62                                       
CONECT   15   16   16   14   63                                       
CONECT   16   15   15    2   64                                       
CONECT   17    2    2   18   65                                       
CONECT   18   17   19   19   66                                       
CONECT   19   18   18   11   67                                       
CONECT   20    1   40   44   44                                       
CONECT   21   40   40   22   68                                       
CONECT   22   23   21   69   70                                       
CONECT   23   24   22   27   27                                       
CONECT   24   25   25   23   71                                       
CONECT   25   24   24   26   72                                       
CONECT   26   25   41   41   73                                       
CONECT   27   23   23   41   74                                       
CONECT   28   29    8   75   76                                       
CONECT   29   38   28   30   30                                       
CONECT   30   29   29   35   31                                       
CONECT   31   30   32   32   77                                       
CONECT   32   31   31   33   78                                       
CONECT   33   34   34   32   79                                       
CONECT   34   35   33   33   80                                       
CONECT   35   36   36   30   34                                       
CONECT   36   37   35   35   81                                       
CONECT   37   38   38   36   82                                       
CONECT   38   37   37   29   83                                       
CONECT   39    7    8   84                                            
CONECT   40   20   21   21                                            
CONECT   41   26   26   27                                            
CONECT   42    4    7                                                 
CONECT   43    7    7                                                 
CONECT   44   20   20                                                 
CONECT   45    1    9                                                 
CONECT   46    1                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   10                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
