COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.575  -0.251  -0.806  1.00  0.00           C  
HETATM    2  C   UNL     1       6.604   0.324   0.828  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.657  -0.231   0.554  1.00  0.00           N  
HETATM    4  C   UNL     1       3.519   0.312   0.163  1.00  0.00           C  
HETATM    5  C   UNL     1       4.349   1.608   0.203  1.00  0.00           C  
HETATM    6  C   UNL     1       5.549   0.747  -0.187  1.00  0.00           C  
HETATM    7  C   UNL     1       6.732   1.313  -0.964  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.907   1.407   0.131  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.433  -2.072  -0.857  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.626   2.750  -0.130  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.799  -0.733  -0.214  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.163   0.275  -1.306  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.591   1.594  -0.660  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.939   2.615  -1.721  1.00  0.00           C  
HETATM   15  C   UNL     1       1.141   0.354   0.372  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.264   0.362   0.759  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.542   1.700   1.447  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.372   2.053   2.367  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.591   3.447   2.959  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.286   1.026   3.499  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.467  -0.045  -0.052  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.103   0.498  -0.124  1.00  0.00           N  
HETATM   23  N   UNL     1      -7.085   3.243  -1.402  1.00  0.00           N  
HETATM   24  N   UNL     1       7.579   0.323  -0.276  1.00  0.00           N  
HETATM   25  O   UNL     1       1.301   0.111   1.552  1.00  0.00           O  
HETATM   26  O   UNL     1      -5.280   2.836  -2.715  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.528  -2.536  -1.648  1.00  0.00           O  
HETATM   28  O   UNL     1      -2.365  -0.206  -1.250  1.00  0.00           O  
HETATM   29  O   UNL     1       2.208   0.479  -0.440  1.00  0.00           O  
HETATM   30  S   UNL     1      -4.067  -3.286   0.440  1.00  0.00           S  
HETATM   31  H   UNL     1       4.834  -1.293  -0.614  1.00  0.00           H  
HETATM   32  H   UNL     1       4.355  -0.056  -1.855  1.00  0.00           H  
HETATM   33  H   UNL     1       6.806   1.080   1.586  1.00  0.00           H  
HETATM   34  H   UNL     1       6.427  -0.665   1.252  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.757  -0.032   1.498  1.00  0.00           H  
HETATM   36  H   UNL     1       3.480  -0.212   1.118  1.00  0.00           H  
HETATM   37  H   UNL     1       4.065   2.333  -0.561  1.00  0.00           H  
HETATM   38  H   UNL     1       4.427   2.048   1.197  1.00  0.00           H  
HETATM   39  H   UNL     1       6.662   1.153  -2.040  1.00  0.00           H  
HETATM   40  H   UNL     1       6.969   2.345  -0.705  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.707   1.272   1.194  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.484   0.572  -0.264  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.556  -1.942  -1.491  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.701   2.591  -0.213  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.410   3.455   0.673  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.652  -0.871   0.451  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.296   0.448  -1.944  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.983  -0.119  -1.906  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.804   1.972  -0.008  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.060  -0.398   1.513  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.658   2.479   0.693  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.457   1.624   2.034  1.00  0.00           H  
HETATM   53  H   UNL     1       0.556   2.042   1.796  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.519   3.458   3.530  1.00  0.00           H  
HETATM   55  H   UNL     1       0.243   3.698   3.615  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.652   4.178   2.153  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.214   1.037   4.070  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.131   0.033   3.078  1.00  0.00           H  
HETATM   59  H   UNL     1       0.547   1.278   4.155  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.231   0.692  -1.066  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.500   3.933  -1.942  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.780  -1.935  -2.363  1.00  0.00           H  
HETATM   63  O   UNL     1      -2.895  -2.685   1.203  1.00  0.00           O  
HETATM   64  O   UNL     1      -5.120  -3.330   1.393  1.00  0.00           O  
HETATM   65  O   UNL     1      -3.541  -4.478  -0.127  1.00  0.00           O  
HETATM   66  H   UNL     1      -2.583  -3.230   1.939  1.00  0.00           H  
HETATM   67  S   UNL     1       9.006  -0.451  -0.602  1.00  0.00           S  
HETATM   68  O   UNL     1       9.690   0.430  -1.483  1.00  0.00           O  
HETATM   69  O   UNL     1       9.535  -0.764   0.679  1.00  0.00           O  
HETATM   70  C   UNL     1       8.511  -1.964  -1.473  1.00  0.00           C  
HETATM   71  H   UNL     1       7.974  -1.700  -2.384  1.00  0.00           H  
HETATM   72  H   UNL     1       9.398  -2.543  -1.729  1.00  0.00           H  
HETATM   73  H   UNL     1       7.863  -2.559  -0.829  1.00  0.00           H  
CONECT    1    6    4   31   32                                       
CONECT    2   24    6   33   34                                       
CONECT    3   11   21   35                                            
CONECT    4    5    1   29   36                                       
CONECT    5    6    4   37   38                                       
CONECT    6    2    7    5    1                                       
CONECT    7   24    6   39   40                                       
CONECT    8   13   10   41   42                                       
CONECT    9   30   11   27   43                                       
CONECT   10   23    8   44   45                                       
CONECT   11   12    3    9   46                                       
CONECT   12   13   11   47   48                                       
CONECT   13   14   12    8   49                                       
CONECT   14   26   26   23   13                                       
CONECT   15   25   25   29   22                                       
CONECT   16   22   21   17   50                                       
CONECT   17   16   18   51   52                                       
CONECT   18   19   17   20   53                                       
CONECT   19   18   54   55   56                                       
CONECT   20   18   57   58   59                                       
CONECT   21   16    3   28   28                                       
CONECT   22   15   16   60                                            
CONECT   23   14   10   61                                            
CONECT   24    2    7   67                                            
CONECT   25   15   15                                                 
CONECT   26   14   14                                                 
CONECT   27    9   62                                                 
CONECT   28   21   21                                                 
CONECT   29    4   15                                                 
CONECT   30    9   63   64   64                                       
CONECT   30   65   65                                                 
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   27                                                      
CONECT   63   30   66                                                 
CONECT   64   30   30                                                 
CONECT   65   30   30                                                 
CONECT   66   63                                                      
CONECT   67   24   68   68   69                                       
CONECT   67   69   70                                                 
CONECT   68   67   67                                                 
CONECT   69   67   67                                                 
CONECT   70   67   71   72   73                                       
CONECT   71   70                                                      
CONECT   72   70                                                      
CONECT   73   70                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
