COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.332   3.377   0.311  1.00  0.00           C  
HETATM    2  C   UNL     1       2.813   3.477   0.162  1.00  0.00           C  
HETATM    3  C   UNL     1       2.456   4.776  -0.564  1.00  0.00           C  
HETATM    4  C   UNL     1       2.299   2.283  -0.645  1.00  0.00           C  
HETATM    5  N   UNL     1       2.516   1.050   0.115  1.00  0.00           N  
HETATM    6  C   UNL     1       1.812   0.837   1.382  1.00  0.00           C  
HETATM    7  C   UNL     1       0.449   0.257   1.107  1.00  0.00           C  
HETATM    8  C   UNL     1       0.169  -1.048   1.034  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.152  -1.349   0.772  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.956  -0.276   0.630  1.00  0.00           C  
HETATM   11  S   UNL     1      -1.015   1.194   0.841  1.00  0.00           S  
HETATM   12  C   UNL     1      -3.406  -0.329   0.345  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.049  -1.560   0.208  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.403  -1.602  -0.057  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.122  -0.427  -0.187  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.490   0.797  -0.052  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.139   0.852   0.219  1.00  0.00           C  
HETATM   18  S   UNL     1      -7.850  -0.489  -0.527  1.00  0.00           S  
HETATM   19  O   UNL     1      -8.122   0.740  -1.185  1.00  0.00           O  
HETATM   20  O   UNL     1      -8.032  -1.732  -1.191  1.00  0.00           O  
HETATM   21  C   UNL     1      -8.632  -0.522   1.110  1.00  0.00           C  
HETATM   22  S   UNL     1       3.558  -0.103  -0.457  1.00  0.00           S  
HETATM   23  O   UNL     1       3.007  -1.331   0.000  1.00  0.00           O  
HETATM   24  O   UNL     1       3.665   0.180  -1.845  1.00  0.00           O  
HETATM   25  C   UNL     1       5.126   0.244   0.387  1.00  0.00           C  
HETATM   26  C   UNL     1       6.106  -0.864   0.102  1.00  0.00           C  
HETATM   27  C   UNL     1       6.163  -1.967   0.933  1.00  0.00           C  
HETATM   28  C   UNL     1       7.059  -2.987   0.669  1.00  0.00           C  
HETATM   29  C   UNL     1       7.897  -2.903  -0.427  1.00  0.00           C  
HETATM   30  C   UNL     1       7.839  -1.801  -1.259  1.00  0.00           C  
HETATM   31  C   UNL     1       6.944  -0.781  -0.994  1.00  0.00           C  
HETATM   32  H   UNL     1       4.580   2.529   0.951  1.00  0.00           H  
HETATM   33  H   UNL     1       4.785   3.236  -0.670  1.00  0.00           H  
HETATM   34  H   UNL     1       4.715   4.294   0.759  1.00  0.00           H  
HETATM   35  H   UNL     1       2.350   3.474   1.149  1.00  0.00           H  
HETATM   36  H   UNL     1       2.919   4.778  -1.551  1.00  0.00           H  
HETATM   37  H   UNL     1       1.374   4.847  -0.670  1.00  0.00           H  
HETATM   38  H   UNL     1       2.822   5.626   0.011  1.00  0.00           H  
HETATM   39  H   UNL     1       1.234   2.408  -0.840  1.00  0.00           H  
HETATM   40  H   UNL     1       2.838   2.226  -1.591  1.00  0.00           H  
HETATM   41  H   UNL     1       2.382   0.146   2.003  1.00  0.00           H  
HETATM   42  H   UNL     1       1.704   1.789   1.902  1.00  0.00           H  
HETATM   43  H   UNL     1       0.921  -1.811   1.170  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.513  -2.363   0.687  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.489  -2.477   0.308  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.902  -2.553  -0.164  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.057   1.710  -0.154  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.648   1.808   0.328  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.358   0.378   1.661  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.715  -0.561   0.994  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.293  -1.401   1.657  1.00  0.00           H  
HETATM   52  H   UNL     1       5.531   1.189   0.025  1.00  0.00           H  
HETATM   53  H   UNL     1       4.954   0.310   1.461  1.00  0.00           H  
HETATM   54  H   UNL     1       5.509  -2.032   1.790  1.00  0.00           H  
HETATM   55  H   UNL     1       7.104  -3.848   1.319  1.00  0.00           H  
HETATM   56  H   UNL     1       8.597  -3.700  -0.633  1.00  0.00           H  
HETATM   57  H   UNL     1       8.494  -1.736  -2.116  1.00  0.00           H  
HETATM   58  H   UNL     1       6.896   0.078  -1.647  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    4    1    3   35                                       
CONECT    3    2   36   37   38                                       
CONECT    4    5    2   39   40                                       
CONECT    5   22    6    4                                            
CONECT    6    7    5   41   42                                       
CONECT    7    8    8    6   11                                       
CONECT    8    9    7    7   43                                       
CONECT    9    8   10   10   44                                       
CONECT   10    9    9   12   11                                       
CONECT   11    7   10                                                 
CONECT   12   13   10   17   17                                       
CONECT   13   14   14   12   45                                       
CONECT   14   13   13   15   46                                       
CONECT   15   14   16   16   18                                       
CONECT   16   15   15   17   47                                       
CONECT   17   12   12   16   48                                       
CONECT   18   21   15   20   20                                       
CONECT   18   19   19                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   18   49   50   51                                       
CONECT   22   23   23   25    5                                       
CONECT   22   24   24                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   26   22   52   53                                       
CONECT   26   27   27   31   25                                       
CONECT   27   28   26   26   54                                       
CONECT   28   29   29   27   55                                       
CONECT   29   28   28   30   56                                       
CONECT   30   29   31   31   57                                       
CONECT   31   30   30   26   58                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
