COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       7.192   2.027   0.691  1.00  0.00           O  
HETATM    2  S   UNL     1       6.419   2.447  -0.551  1.00  0.00           S  
HETATM    3  O   UNL     1       5.355   1.512  -0.677  1.00  0.00           O  
HETATM    4  O   UNL     1       7.399   2.716  -1.544  1.00  0.00           O  
HETATM    5  C   UNL     1       5.656   3.995  -0.198  1.00  0.00           C  
HETATM    6  C   UNL     1       4.391   4.031   0.356  1.00  0.00           C  
HETATM    7  C   UNL     1       6.327   5.173  -0.471  1.00  0.00           C  
HETATM    8  C   UNL     1       5.732   6.391  -0.196  1.00  0.00           C  
HETATM    9  C   UNL     1       4.465   6.435   0.352  1.00  0.00           C  
HETATM   10  C   UNL     1       3.788   5.253   0.628  1.00  0.00           C  
HETATM   11  N   UNL     1       2.507   5.293   1.183  1.00  0.00           N  
HETATM   12  C   UNL     1       1.586   4.298   0.877  1.00  0.00           C  
HETATM   13  C   UNL     1       1.663   3.632  -0.345  1.00  0.00           C  
HETATM   14  C   UNL     1       0.760   2.655  -0.650  1.00  0.00           C  
HETATM   15  C   UNL     1       0.587   3.971   1.792  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.324   2.998   1.493  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.247   2.322   0.268  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.221   1.271  -0.056  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.794  -0.063  -0.213  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.730  -1.072  -0.524  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.320  -2.354  -0.676  1.00  0.00           C  
HETATM   22  C   UNL     1       0.572  -0.389  -0.059  1.00  0.00           C  
HETATM   23  C   UNL     1       0.983  -1.672  -0.205  1.00  0.00           C  
HETATM   24  C   UNL     1       0.046  -2.681  -0.522  1.00  0.00           C  
HETATM   25  N   UNL     1       0.451  -3.945  -0.670  1.00  0.00           N1+
HETATM   26  C   UNL     1       1.744  -4.280  -0.413  1.00  0.00           C  
HETATM   27  C   UNL     1       2.306  -4.010   0.841  1.00  0.00           C  
HETATM   28  C   UNL     1       3.617  -4.353   1.093  1.00  0.00           C  
HETATM   29  C   UNL     1       4.378  -4.962   0.110  1.00  0.00           C  
HETATM   30  S   UNL     1       6.053  -5.396   0.443  1.00  0.00           S  
HETATM   31  O   UNL     1       6.054  -6.811   1.002  1.00  0.00           O  
HETATM   32  O   UNL     1       6.463  -4.557   1.515  1.00  0.00           O  
HETATM   33  O   UNL     1       6.689  -5.481  -0.824  1.00  0.00           O  
HETATM   34  C   UNL     1       3.833  -5.226  -1.135  1.00  0.00           C  
HETATM   35  C   UNL     1       2.522  -4.895  -1.402  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.641   1.611  -0.217  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.591   1.103   0.681  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.910   1.422   0.528  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.050   2.448  -1.264  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.371   2.758  -1.412  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.312   2.251  -0.518  1.00  0.00           C  
HETATM   42  N   UNL     1      -6.656   2.573  -0.669  1.00  0.00           N  
HETATM   43  C   UNL     1      -7.641   1.678  -0.245  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.390   0.312  -0.252  1.00  0.00           C  
HETATM   45  C   UNL     1      -8.876   2.152   0.180  1.00  0.00           C  
HETATM   46  C   UNL     1      -9.848   1.264   0.598  1.00  0.00           C  
HETATM   47  C   UNL     1      -9.592  -0.095   0.595  1.00  0.00           C  
HETATM   48  C   UNL     1      -8.364  -0.570   0.173  1.00  0.00           C  
HETATM   49  S   UNL     1      -8.045  -2.303   0.171  1.00  0.00           S  
HETATM   50  O   UNL     1      -8.465  -2.842  -1.189  1.00  0.00           O  
HETATM   51  O   UNL     1      -6.630  -2.435   0.218  1.00  0.00           O  
HETATM   52  O   UNL     1      -8.955  -2.865   1.106  1.00  0.00           O  
HETATM   53  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   54  H   UNL     1       3.868   3.111   0.569  1.00  0.00           H  
HETATM   55  H   UNL     1       7.317   5.142  -0.901  1.00  0.00           H  
HETATM   56  H   UNL     1       6.258   7.310  -0.411  1.00  0.00           H  
HETATM   57  H   UNL     1       4.001   7.386   0.566  1.00  0.00           H  
HETATM   58  H   UNL     1       2.260   6.015   1.782  1.00  0.00           H  
HETATM   59  H   UNL     1       2.438   3.889  -1.051  1.00  0.00           H  
HETATM   60  H   UNL     1       0.820   2.138  -1.597  1.00  0.00           H  
HETATM   61  H   UNL     1       0.531   4.489   2.738  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.097   2.745   2.203  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.774  -0.822  -0.642  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.037  -3.126  -0.914  1.00  0.00           H  
HETATM   65  H   UNL     1       1.288   0.384   0.179  1.00  0.00           H  
HETATM   66  H   UNL     1       2.027  -1.921  -0.087  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.177  -4.625  -0.961  1.00  0.00           H  
HETATM   68  H   UNL     1       1.713  -3.536   1.609  1.00  0.00           H  
HETATM   69  H   UNL     1       4.051  -4.146   2.060  1.00  0.00           H  
HETATM   70  H   UNL     1       6.976  -7.041   1.182  1.00  0.00           H  
HETATM   71  H   UNL     1       4.435  -5.701  -1.896  1.00  0.00           H  
HETATM   72  H   UNL     1       2.097  -5.107  -2.372  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.281   0.461   1.491  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.643   1.031   1.218  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.321   2.842  -1.957  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.688   3.399  -2.221  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.910   3.419  -1.070  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.431  -0.060  -0.582  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.076   3.213   0.184  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.808   1.632   0.929  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.354  -0.787   0.924  1.00  0.00           H  
HETATM   82  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2   53                                                 
CONECT    5    2    6    7    7                                       
CONECT    6    5   10   10   54                                       
CONECT    7    5    5    8   55                                       
CONECT    8    7    9    9   56                                       
CONECT    9    8    8   10   57                                       
CONECT   10    6    6    9   11                                       
CONECT   11   10   12   58                                            
CONECT   12   11   13   15   15                                       
CONECT   13   12   14   14   59                                       
CONECT   14   13   13   17   60                                       
CONECT   15   12   12   16   61                                       
CONECT   16   15   17   17   62                                       
CONECT   17   14   16   16   18                                       
CONECT   18   17   19   19   36                                       
CONECT   19   18   18   20   22                                       
CONECT   20   19   21   21   63                                       
CONECT   21   20   20   24   64                                       
CONECT   22   19   23   23   65                                       
CONECT   23   22   22   24   66                                       
CONECT   24   21   23   25   25                                       
CONECT   25   24   24   26   67                                       
CONECT   26   25   27   27   35                                       
CONECT   27   26   26   28   68                                       
CONECT   28   27   29   29   69                                       
CONECT   29   28   28   30   34                                       
CONECT   30   29   31   32   32                                       
CONECT   30   33   33                                                 
CONECT   31   30   70                                                 
CONECT   32   30   30                                                 
CONECT   33   30   30                                                 
CONECT   34   29   35   35   71                                       
CONECT   35   26   34   34   72                                       
CONECT   36   18   37   39   39                                       
CONECT   37   36   38   38   73                                       
CONECT   38   37   37   41   74                                       
CONECT   39   36   36   40   75                                       
CONECT   40   39   41   41   76                                       
CONECT   41   38   40   40   42                                       
CONECT   42   41   43   77                                            
CONECT   43   42   44   45   45                                       
CONECT   44   43   48   48   78                                       
CONECT   45   43   43   46   79                                       
CONECT   46   45   47   47   80                                       
CONECT   47   46   46   48   81                                       
CONECT   48   44   44   47   49                                       
CONECT   49   48   50   50   51                                       
CONECT   49   51   52                                                 
CONECT   50   49   49                                                 
CONECT   51   49   49                                                 
CONECT   52   49   82                                                 
CONECT   53    4                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   11                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   25                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   31                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   42                                                      
CONECT   78   44                                                      
CONECT   79   45                                                      
CONECT   80   46                                                      
CONECT   81   47                                                      
CONECT   82   52                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
