COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.114  -1.107   0.790  1.00  0.00           O  
HETATM    2  S   UNL     1       6.833  -0.010   0.245  1.00  0.00           S  
HETATM    3  O   UNL     1       8.160   0.278   0.664  1.00  0.00           O  
HETATM    4  C   UNL     1       6.725  -0.014  -1.566  1.00  0.00           C  
HETATM    5  N   UNL     1       5.961   1.320   0.708  1.00  0.00           N  
HETATM    6  C   UNL     1       4.604   1.416   0.380  1.00  0.00           C  
HETATM    7  C   UNL     1       4.039   2.652   0.059  1.00  0.00           C  
HETATM    8  O   UNL     1       4.815   3.766   0.066  1.00  0.00           O  
HETATM    9  C   UNL     1       4.180   5.001  -0.271  1.00  0.00           C  
HETATM   10  C   UNL     1       3.803   0.284   0.365  1.00  0.00           C  
HETATM   11  C   UNL     1       2.452   0.431   0.031  1.00  0.00           C  
HETATM   12  C   UNL     1       1.964   1.698  -0.272  1.00  0.00           C  
HETATM   13  N   UNL     1       2.758   2.751  -0.251  1.00  0.00           N  
HETATM   14  C   UNL     1       1.553  -0.749  -0.001  1.00  0.00           C  
HETATM   15  C   UNL     1       2.056  -2.008   0.303  1.00  0.00           C  
HETATM   16  C   UNL     1       1.220  -3.118   0.275  1.00  0.00           C  
HETATM   17  N   UNL     1       1.415  -4.455   0.520  1.00  0.00           N  
HETATM   18  N   UNL     1       0.192  -5.112   0.335  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.723  -4.249  -0.004  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.138  -2.966  -0.061  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.643  -1.681  -0.369  1.00  0.00           C  
HETATM   22  C   UNL     1       0.206  -0.585  -0.331  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.064  -1.507  -0.723  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.659  -0.343  -1.035  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.956  -0.602  -1.296  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.138  -1.926  -1.140  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.960  -2.465  -0.793  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.007   0.404  -1.689  1.00  0.00           C  
HETATM   29  N   UNL     1      -5.657   0.931  -0.481  1.00  0.00           N  
HETATM   30  C   UNL     1      -6.516   2.080  -0.803  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.124   2.633   0.488  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.082   3.778   0.152  1.00  0.00           C  
HETATM   33  O   UNL     1      -7.841   1.591   1.156  1.00  0.00           O  
HETATM   34  C   UNL     1      -7.035   0.457   1.485  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.902  -0.607   2.161  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.425  -0.118   0.204  1.00  0.00           C  
HETATM   37  H   UNL     1       5.680  -0.087  -1.867  1.00  0.00           H  
HETATM   38  H   UNL     1       7.152   0.909  -1.958  1.00  0.00           H  
HETATM   39  H   UNL     1       7.277  -0.866  -1.961  1.00  0.00           H  
HETATM   40  H   UNL     1       6.392   2.033   1.206  1.00  0.00           H  
HETATM   41  H   UNL     1       4.212  -0.687   0.604  1.00  0.00           H  
HETATM   42  H   UNL     1       3.770   4.936  -1.279  1.00  0.00           H  
HETATM   43  H   UNL     1       3.375   5.200   0.437  1.00  0.00           H  
HETATM   44  H   UNL     1       4.910   5.809  -0.227  1.00  0.00           H  
HETATM   45  H   UNL     1       0.923   1.820  -0.531  1.00  0.00           H  
HETATM   46  H   UNL     1       3.099  -2.124   0.561  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.175   0.399  -0.561  1.00  0.00           H  
HETATM   48  H   UNL     1       2.253  -4.871   0.775  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.759  -4.479  -0.209  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.067  -2.461  -1.275  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.540   1.223  -2.236  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.753  -0.078  -2.322  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.921   2.855  -1.287  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.313   1.761  -1.474  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.222  -0.472  -0.451  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.765  -0.948   0.456  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.329   3.002   1.136  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.877   3.408  -0.495  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.515   4.172   1.071  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.535   4.570  -0.361  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.238   0.762   2.163  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.698  -0.912   1.482  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.286  -1.471   2.412  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.338  -0.195   3.071  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   37   38   39                                       
CONECT    5    2    6   40                                            
CONECT    6    5    7   10   10                                       
CONECT    7    6    8   13   13                                       
CONECT    8    7    9                                                 
CONECT    9    8   42   43   44                                       
CONECT   10    6    6   11   41                                       
CONECT   11   10   12   12   14                                       
CONECT   12   11   11   13   45                                       
CONECT   13    7    7   12                                            
CONECT   14   11   15   22   22                                       
CONECT   15   14   16   16   46                                       
CONECT   16   15   15   17   20                                       
CONECT   17   16   18   48                                            
CONECT   18   17   19   19                                            
CONECT   19   18   18   20   49                                       
CONECT   20   16   19   21   21                                       
CONECT   21   20   20   22   23                                       
CONECT   22   14   14   21   47                                       
CONECT   23   21   24   27   27                                       
CONECT   24   23   25                                                 
CONECT   25   24   26   26   28                                       
CONECT   26   25   25   27   50                                       
CONECT   27   23   23   26                                            
CONECT   28   25   29   51   52                                       
CONECT   29   28   30   36                                            
CONECT   30   29   31   53   54                                       
CONECT   31   30   32   33   57                                       
CONECT   32   31   58   59   60                                       
CONECT   33   31   34                                                 
CONECT   34   33   35   36   61                                       
CONECT   35   34   62   63   64                                       
CONECT   36   29   34   55   56                                       
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41   10                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   12                                                      
CONECT   46   15                                                      
CONECT   47   22                                                      
CONECT   48   17                                                      
CONECT   49   19                                                      
CONECT   50   26                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   36                                                      
CONECT   56   36                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
CONECT   61   34                                                      
CONECT   62   35                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
