COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.664   1.413  -0.484  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.922   0.313  -0.872  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.434   0.750   1.815  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.701  -0.357   1.418  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.441  -0.570   0.077  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.805  -1.477  -0.443  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.030  -1.619   0.694  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.703  -1.233   0.679  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.150  -0.705  -0.473  1.00  0.00           C  
HETATM   10  C   UNL     1       1.297  -0.284  -0.489  1.00  0.00           C  
HETATM   11  C   UNL     1       4.574  -0.573   0.045  1.00  0.00           C  
HETATM   12  C   UNL     1       5.043   1.186   1.628  1.00  0.00           C  
HETATM   13  C   UNL     1       4.351   0.721   0.511  1.00  0.00           C  
HETATM   14  C   UNL     1       3.611   2.005  -1.494  1.00  0.00           C  
HETATM   15  C   UNL     1       2.705   2.824  -2.134  1.00  0.00           C  
HETATM   16  C   UNL     1       1.564   3.253  -1.469  1.00  0.00           C  
HETATM   17  C   UNL     1       1.332   2.858  -0.158  1.00  0.00           C  
HETATM   18  C   UNL     1       2.234   2.038   0.487  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.924  -0.564  -1.610  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.622  -2.932   0.615  1.00  0.00           O  
HETATM   21  S   UNL     1      -4.496  -1.970  -0.424  1.00  0.00           S  
HETATM   22  O   UNL     1      -4.853  -2.232  -1.774  1.00  0.00           O  
HETATM   23  O   UNL     1      -6.690   0.961   3.134  1.00  0.00           O  
HETATM   24  C   UNL     1      -6.923   1.636   0.859  1.00  0.00           C  
HETATM   25  O   UNL     1      -7.652   2.718   1.243  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.253  -0.944  -1.593  1.00  0.00           C  
HETATM   27  N   UNL     1       2.130  -1.417  -0.901  1.00  0.00           N  
HETATM   28  S   UNL     1       3.699  -1.164  -1.367  1.00  0.00           S  
HETATM   29  O   UNL     1       3.673  -0.092  -2.300  1.00  0.00           O  
HETATM   30  O   UNL     1       4.240  -2.443  -1.667  1.00  0.00           O  
HETATM   31  C   UNL     1       5.950   0.361   2.269  1.00  0.00           C  
HETATM   32  O   UNL     1       6.627   0.812   3.359  1.00  0.00           O  
HETATM   33  C   UNL     1       6.173  -0.929   1.796  1.00  0.00           C  
HETATM   34  O   UNL     1       7.064  -1.740   2.426  1.00  0.00           O  
HETATM   35  C   UNL     1       5.483  -1.391   0.684  1.00  0.00           C  
HETATM   36  C   UNL     1       3.378   1.602  -0.180  1.00  0.00           C  
HETATM   37  O   UNL     1       0.673   4.060  -2.101  1.00  0.00           O  
HETATM   38  H   UNL     1      -7.038   2.102  -1.227  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.717   0.144  -1.918  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.333  -1.054   2.157  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.463  -2.032   1.593  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.099  -1.343   1.567  1.00  0.00           H  
HETATM   43  H   UNL     1       1.428   0.538  -1.193  1.00  0.00           H  
HETATM   44  H   UNL     1       1.592   0.041   0.508  1.00  0.00           H  
HETATM   45  H   UNL     1       4.872   2.188   1.991  1.00  0.00           H  
HETATM   46  H   UNL     1       4.499   1.672  -2.011  1.00  0.00           H  
HETATM   47  H   UNL     1       2.883   3.134  -3.153  1.00  0.00           H  
HETATM   48  H   UNL     1       0.443   3.193   0.357  1.00  0.00           H  
HETATM   49  H   UNL     1       2.053   1.731   1.507  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.491  -0.153  -2.510  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.019   1.490   3.585  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.604   2.554   1.290  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.857  -0.834  -2.481  1.00  0.00           H  
HETATM   54  H   UNL     1       1.763  -2.315  -0.900  1.00  0.00           H  
HETATM   55  H   UNL     1       6.178   0.642   4.199  1.00  0.00           H  
HETATM   56  H   UNL     1       6.677  -2.277   3.131  1.00  0.00           H  
HETATM   57  H   UNL     1       5.658  -2.392   0.319  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.021   3.584  -2.576  1.00  0.00           H  
CONECT    1   24    2    2   38                                       
CONECT    2    1    1    5   39                                       
CONECT    3   24   24   23    4                                       
CONECT    4    3    5    5   40                                       
CONECT    5    4    4    2   21                                       
CONECT    6   21    7    7   26                                       
CONECT    7    6    6    8   41                                       
CONECT    8    7    9    9   42                                       
CONECT    9    8    8   10   19                                       
CONECT   10    9   27   43   44                                       
CONECT   11   28   35   35   13                                       
CONECT   12   31   13   13   45                                       
CONECT   13   12   12   11   36                                       
CONECT   14   36   36   15   46                                       
CONECT   15   14   16   16   47                                       
CONECT   16   15   15   37   17                                       
CONECT   17   16   18   18   48                                       
CONECT   18   17   17   36   49                                       
CONECT   19    9   26   26   50                                       
CONECT   20   21   21                                                 
CONECT   21    5    6   22   22                                       
CONECT   21   20   20                                                 
CONECT   22   21   21                                                 
CONECT   23    3   51                                                 
CONECT   24   25    1    3    3                                       
CONECT   25   24   52                                                 
CONECT   26   19   19    6   53                                       
CONECT   27   10   28   54                                            
CONECT   28   27   29   29   11                                       
CONECT   28   30   30                                                 
CONECT   29   28   28                                                 
CONECT   30   28   28                                                 
CONECT   31   33   33   32   12                                       
CONECT   32   31   55                                                 
CONECT   33   35   34   31   31                                       
CONECT   34   33   56                                                 
CONECT   35   11   11   33   57                                       
CONECT   36   13   14   14   18                                       
CONECT   37   16   58                                                 
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    4                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   12                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   23                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   32                                                      
CONECT   56   34                                                      
CONECT   57   35                                                      
CONECT   58   37                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
