COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.944  -0.747   0.401  1.00  0.00           C  
HETATM    2  C   UNL     1       9.840  -1.038   1.152  1.00  0.00           C  
HETATM    3  C   UNL     1       8.572  -0.692   0.681  1.00  0.00           C  
HETATM    4  C   UNL     1       8.433  -0.048  -0.563  1.00  0.00           C  
HETATM    5  C   UNL     1       9.570   0.238  -1.309  1.00  0.00           C  
HETATM    6  C   UNL     1      10.813  -0.112  -0.825  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.684  -1.876   0.072  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.965  -2.062  -1.420  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.531  -3.246   0.736  1.00  0.00           C  
HETATM   10  C   UNL     1       7.214  -0.841   1.205  1.00  0.00           C  
HETATM   11  C   UNL     1       6.390  -0.302   0.269  1.00  0.00           C  
HETATM   12  O   UNL     1       7.118   0.165  -0.766  1.00  0.00           O  
HETATM   13  C   UNL     1       4.926  -0.233   0.373  1.00  0.00           C  
HETATM   14  N   UNL     1       4.206   0.331  -0.618  1.00  0.00           N  
HETATM   15  C   UNL     1       2.827   0.501  -0.470  1.00  0.00           C  
HETATM   16  O   UNL     1       4.363  -0.684   1.352  1.00  0.00           O  
HETATM   17  C   UNL     1       1.993   0.399  -1.577  1.00  0.00           C  
HETATM   18  C   UNL     1       0.632   0.562  -1.433  1.00  0.00           C  
HETATM   19  C   UNL     1       0.093   0.838  -0.177  1.00  0.00           C  
HETATM   20  C   UNL     1       0.931   0.939   0.932  1.00  0.00           C  
HETATM   21  C   UNL     1       2.292   0.771   0.784  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.371   1.018  -0.020  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.026   0.489   1.091  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.387   0.663   1.234  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.104   1.352   0.272  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.460   1.879  -0.833  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.098   1.715  -0.984  1.00  0.00           C  
HETATM   28  S   UNL     1      -5.843   1.565   0.458  1.00  0.00           S  
HETATM   29  N   UNL     1      -6.581   0.278  -0.277  1.00  0.00           N  
HETATM   30  O   UNL     1      -6.179   2.702  -0.325  1.00  0.00           O  
HETATM   31  O   UNL     1      -6.104   1.418   1.847  1.00  0.00           O  
HETATM   32  C   UNL     1      -6.394  -1.075   0.252  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.272  -1.754  -0.490  1.00  0.00           C  
HETATM   34  O   UNL     1      -4.690  -1.169  -1.372  1.00  0.00           O  
HETATM   35  O   UNL     1      -4.921  -3.010  -0.173  1.00  0.00           O  
HETATM   36  H   UNL     1      11.926  -1.014   0.765  1.00  0.00           H  
HETATM   37  H   UNL     1       9.948  -1.533   2.106  1.00  0.00           H  
HETATM   38  H   UNL     1       9.480   0.731  -2.265  1.00  0.00           H  
HETATM   39  H   UNL     1      11.694   0.112  -1.408  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.513  -1.340   0.534  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.137  -2.598  -1.882  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.885  -2.633  -1.549  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.075  -1.086  -1.893  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.702  -3.783   0.274  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.330  -3.114   1.800  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.450  -3.817   0.608  1.00  0.00           H  
HETATM   47  H   UNL     1       6.926  -1.289   2.144  1.00  0.00           H  
HETATM   48  H   UNL     1       4.646   0.619  -1.433  1.00  0.00           H  
HETATM   49  H   UNL     1       2.411   0.189  -2.551  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.016   0.482  -2.293  1.00  0.00           H  
HETATM   51  H   UNL     1       0.516   1.149   1.906  1.00  0.00           H  
HETATM   52  H   UNL     1       2.942   0.850   1.643  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.468  -0.052   1.841  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.896   0.254   2.095  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.023   2.419  -1.579  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.596   2.126  -1.847  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.138   0.420  -1.059  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.146  -1.019   1.312  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.201  -3.446  -0.649  1.00  0.00           H  
CONECT    1    2    2    6   36                                       
CONECT    2    1    1    3   37                                       
CONECT    3    2    4    4   10                                       
CONECT    4    3    3    5   12                                       
CONECT    5    4    6    6   38                                       
CONECT    6    1    5    5   39                                       
CONECT    7    8    9   32   40                                       
CONECT    8    7   41   42   43                                       
CONECT    9    7   44   45   46                                       
CONECT   10    3   11   11   47                                       
CONECT   11   10   10   12   13                                       
CONECT   12    4   11                                                 
CONECT   13   11   14   16   16                                       
CONECT   14   13   15   48                                            
CONECT   15   14   17   21   21                                       
CONECT   16   13   13                                                 
CONECT   17   15   18   18   49                                       
CONECT   18   17   17   19   50                                       
CONECT   19   18   20   20   22                                       
CONECT   20   19   19   21   51                                       
CONECT   21   15   15   20   52                                       
CONECT   22   19   23   27   27                                       
CONECT   23   22   24   24   53                                       
CONECT   24   23   23   25   54                                       
CONECT   25   24   26   26   28                                       
CONECT   26   25   25   27   55                                       
CONECT   27   22   22   26   56                                       
CONECT   28   25   29   30   30                                       
CONECT   28   31   31                                                 
CONECT   29   28   32   57                                            
CONECT   30   28   28                                                 
CONECT   31   28   28                                                 
CONECT   32    7   29   33   58                                       
CONECT   33   32   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   59                                                 
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   14                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   29                                                      
CONECT   58   32                                                      
CONECT   59   35                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
