COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.207  -2.798  -0.032  1.00  0.00           C  
HETATM    2  C   UNL     1       1.364  -3.325   0.819  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.209  -2.163  -0.020  1.00  0.00           C  
HETATM    4  C   UNL     1       2.605  -3.431  -0.030  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.626  -1.528  -0.008  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.885  -1.420   0.854  1.00  0.00           C  
HETATM    7  C   UNL     1     -14.058   1.215  -1.028  1.00  0.00           C  
HETATM    8  C   UNL     1     -12.885   1.094  -1.750  1.00  0.00           C  
HETATM    9  C   UNL     1     -11.737   0.637  -1.133  1.00  0.00           C  
HETATM   10  C   UNL     1     -11.761   0.299   0.213  1.00  0.00           C  
HETATM   11  C   UNL     1     -12.939   0.422   0.935  1.00  0.00           C  
HETATM   12  C   UNL     1     -14.084   0.885   0.315  1.00  0.00           C  
HETATM   13  O   UNL     1       2.567  -3.116  -1.201  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.052  -2.690   0.831  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.469  -2.055   0.842  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.042  -0.893   0.003  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.301  -0.785   0.865  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.458  -0.257   0.015  1.00  0.00           C  
HETATM   19  O   UNL     1     -10.635  -0.157   0.820  1.00  0.00           O  
HETATM   20  N   UNL     1       3.756  -3.876   0.511  1.00  0.00           N  
HETATM   21  S   UNL     1       5.119  -3.993  -0.422  1.00  0.00           S  
HETATM   22  O   UNL     1       6.154  -4.453   0.435  1.00  0.00           O  
HETATM   23  O   UNL     1       4.735  -4.671  -1.610  1.00  0.00           O  
HETATM   24  O   UNL     1       5.502  -2.580  -0.839  1.00  0.00           O  
HETATM   25  C   UNL     1       6.099  -1.808   0.205  1.00  0.00           C  
HETATM   26  C   UNL     1       6.441  -0.414  -0.324  1.00  0.00           C  
HETATM   27  O   UNL     1       5.233   0.303  -0.630  1.00  0.00           O  
HETATM   28  C   UNL     1       5.481   1.694  -0.331  1.00  0.00           C  
HETATM   29  C   UNL     1       6.305   1.640   0.981  1.00  0.00           C  
HETATM   30  O   UNL     1       7.108   2.813   1.127  1.00  0.00           O  
HETATM   31  C   UNL     1       7.192   0.387   0.757  1.00  0.00           C  
HETATM   32  O   UNL     1       8.488   0.770   0.292  1.00  0.00           O  
HETATM   33  N   UNL     1       4.220   2.409  -0.123  1.00  0.00           N  
HETATM   34  C   UNL     1       4.017   3.758  -0.273  1.00  0.00           C  
HETATM   35  N   UNL     1       4.781   4.789  -0.617  1.00  0.00           N  
HETATM   36  C   UNL     1       4.281   6.005  -0.674  1.00  0.00           C  
HETATM   37  N   UNL     1       3.017   6.265  -0.398  1.00  0.00           N  
HETATM   38  C   UNL     1       2.176   5.298  -0.045  1.00  0.00           C  
HETATM   39  N   UNL     1       0.853   5.581   0.243  1.00  0.00           N  
HETATM   40  C   UNL     1       2.663   3.982   0.030  1.00  0.00           C  
HETATM   41  N   UNL     1       2.120   2.782   0.344  1.00  0.00           N  
HETATM   42  C   UNL     1       3.031   1.857   0.250  1.00  0.00           C  
HETATM   43  H   UNL     1       0.464  -1.814  -0.424  1.00  0.00           H  
HETATM   44  H   UNL     1       0.023  -3.483  -0.859  1.00  0.00           H  
HETATM   45  H   UNL     1       1.548  -2.640   1.647  1.00  0.00           H  
HETATM   46  H   UNL     1       1.107  -4.309   1.212  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.953  -1.179  -0.413  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.393  -2.848  -0.848  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.810  -2.213  -0.836  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.369  -0.544  -0.401  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.142  -2.404   1.247  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.701  -0.735   1.682  1.00  0.00           H  
HETATM   53  H   UNL     1     -14.955   1.573  -1.512  1.00  0.00           H  
HETATM   54  H   UNL     1     -12.867   1.357  -2.797  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.821   0.542  -1.698  1.00  0.00           H  
HETATM   56  H   UNL     1     -12.961   0.160   1.982  1.00  0.00           H  
HETATM   57  H   UNL     1     -15.001   0.981   0.877  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.309  -3.674   1.224  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.868  -2.005   1.659  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.725  -3.039   1.235  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.285  -1.370   1.670  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.785   0.091  -0.389  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.226  -1.577  -0.825  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.558  -1.769   1.258  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.117  -0.100   1.693  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.202   0.726  -0.378  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.642  -0.942  -0.813  1.00  0.00           H  
HETATM   68  H   UNL     1       3.786  -4.128   1.447  1.00  0.00           H  
HETATM   69  H   UNL     1       5.401  -1.720   1.037  1.00  0.00           H  
HETATM   70  H   UNL     1       7.010  -2.301   0.545  1.00  0.00           H  
HETATM   71  H   UNL     1       7.058  -0.498  -1.219  1.00  0.00           H  
HETATM   72  H   UNL     1       6.059   2.161  -1.128  1.00  0.00           H  
HETATM   73  H   UNL     1       5.653   1.507   1.845  1.00  0.00           H  
HETATM   74  H   UNL     1       7.642   2.826   1.934  1.00  0.00           H  
HETATM   75  H   UNL     1       7.271  -0.194   1.676  1.00  0.00           H  
HETATM   76  H   UNL     1       8.980   1.326   0.912  1.00  0.00           H  
HETATM   77  H   UNL     1       4.930   6.821  -0.957  1.00  0.00           H  
HETATM   78  H   UNL     1       0.528   6.493   0.188  1.00  0.00           H  
HETATM   79  H   UNL     1       0.249   4.866   0.500  1.00  0.00           H  
HETATM   80  H   UNL     1       2.869   0.806   0.442  1.00  0.00           H  
CONECT    1   14    2   43   44                                       
CONECT    2    1    4   45   46                                       
CONECT    3   15   14   47   48                                       
CONECT    4   13   13    2   20                                       
CONECT    5   15    6   49   50                                       
CONECT    6    5   16   51   52                                       
CONECT    7   12   12    8   53                                       
CONECT    8    9    9    7   54                                       
CONECT    9   10    8    8   55                                       
CONECT   10   19   11   11    9                                       
CONECT   11   10   10   12   56                                       
CONECT   12   11    7    7   57                                       
CONECT   13    4    4                                                 
CONECT   14    3    1   58   59                                       
CONECT   15    3    5   60   61                                       
CONECT   16    6   17   62   63                                       
CONECT   17   16   18   64   65                                       
CONECT   18   17   19   66   67                                       
CONECT   19   18   10                                                 
CONECT   20    4   21   68                                            
CONECT   21   24   20   23   23                                       
CONECT   21   22   22                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   25   21                                                 
CONECT   25   26   24   69   70                                       
CONECT   26   31   27   25   71                                       
CONECT   27   28   26                                                 
CONECT   28   29   33   27   72                                       
CONECT   29   30   28   31   73                                       
CONECT   30   29   74                                                 
CONECT   31   29   32   26   75                                       
CONECT   32   31   76                                                 
CONECT   33   34   28   42                                            
CONECT   34   35   35   40   33                                       
CONECT   35   36   34   34                                            
CONECT   36   37   37   35   77                                       
CONECT   37   36   36   38                                            
CONECT   38   37   39   40   40                                       
CONECT   39   38   78   79                                            
CONECT   40   38   38   34   41                                       
CONECT   41   40   42   42                                            
CONECT   42   33   41   41   80                                       
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   20                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   36                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   42                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
