COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.218   1.508   0.210  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.354  -0.014   0.299  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.094  -0.592   0.950  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.870  -0.091   0.175  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.920   1.436   0.096  1.00  0.00           C  
HETATM    6  C   UNL     1       0.316   1.946  -0.647  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.526  -0.354   1.110  1.00  0.00           N  
HETATM    8  O   UNL     1      -3.035   2.046   1.521  1.00  0.00           O  
HETATM    9  O   UNL     1      -2.139  -2.019   0.905  1.00  0.00           O  
HETATM   10  O   UNL     1       0.323  -0.496   0.851  1.00  0.00           O  
HETATM   11  O   UNL     1      -2.095   1.845  -0.602  1.00  0.00           O  
HETATM   12  O   UNL     1       0.335   3.375  -0.615  1.00  0.00           O  
HETATM   13  S   UNL     1      -5.976  -0.674   0.377  1.00  0.00           S  
HETATM   14  O   UNL     1      -5.784  -1.885  -0.405  1.00  0.00           O  
HETATM   15  O   UNL     1      -6.946  -0.854   1.446  1.00  0.00           O  
HETATM   16  O   UNL     1      -6.278   0.480  -0.456  1.00  0.00           O1-
HETATM   17  S   UNL     1       1.583   3.815  -1.368  1.00  0.00           S  
HETATM   18  O   UNL     1       1.300   3.623  -2.781  1.00  0.00           O  
HETATM   19  O   UNL     1       1.794   5.214  -1.031  1.00  0.00           O  
HETATM   20  O   UNL     1       2.666   2.964  -0.900  1.00  0.00           O1-
HETATM   21  S   UNL     1       3.839  -0.465   2.398  1.00  0.00           S  
HETATM   22  C   UNL     1       1.245  -0.916  -0.157  1.00  0.00           C  
HETATM   23  C   UNL     1       2.629  -1.131   0.472  1.00  0.00           C  
HETATM   24  O   UNL     1       3.012   0.026   1.218  1.00  0.00           O  
HETATM   25  C   UNL     1       3.623  -1.366  -0.674  1.00  0.00           C  
HETATM   26  O   UNL     1       4.815  -1.968  -0.164  1.00  0.00           O  
HETATM   27  C   UNL     1       2.976  -2.288  -1.675  1.00  0.00           C  
HETATM   28  C   UNL     1       1.688  -2.581  -1.636  1.00  0.00           C  
HETATM   29  O   UNL     1       0.796  -2.138  -0.733  1.00  0.00           O  
HETATM   30  C   UNL     1       1.180  -3.479  -2.684  1.00  0.00           C  
HETATM   31  O   UNL     1       5.141  -0.831   1.862  1.00  0.00           O  
HETATM   32  O   UNL     1       3.919   0.645   3.334  1.00  0.00           O  
HETATM   33  O   UNL     1       3.128  -1.607   2.952  1.00  0.00           O1-
HETATM   34  O   UNL     1      -0.003  -3.789  -2.704  1.00  0.00           O1-
HETATM   35  O   UNL     1       1.941  -3.917  -3.537  1.00  0.00           O  
HETATM   36  H   UNL     1      -4.123   1.928  -0.231  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.471  -0.428  -0.702  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.032  -0.260   1.986  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.879  -0.510  -0.831  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.934   1.851   1.104  1.00  0.00           H  
HETATM   41  H   UNL     1       1.215   1.560  -0.165  1.00  0.00           H  
HETATM   42  H   UNL     1       0.284   1.606  -1.682  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.452  -0.393   2.076  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.956   3.005   1.422  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.923  -2.290   1.403  1.00  0.00           H  
HETATM   46  H   UNL     1       1.313  -0.152  -0.931  1.00  0.00           H  
HETATM   47  H   UNL     1       2.605  -2.003   1.127  1.00  0.00           H  
HETATM   48  H   UNL     1       3.865  -0.417  -1.150  1.00  0.00           H  
HETATM   49  H   UNL     1       5.399  -2.114  -0.921  1.00  0.00           H  
HETATM   50  H   UNL     1       3.586  -2.725  -2.452  1.00  0.00           H  
CONECT    1   11    2    8   36                                       
CONECT    2    3    1    7   37                                       
CONECT    3    4    2    9   38                                       
CONECT    4    5   10    3   39                                       
CONECT    5    4   11    6   40                                       
CONECT    6    5   12   41   42                                       
CONECT    7    2   13   43                                            
CONECT    8    1   44                                                 
CONECT    9    3   45                                                 
CONECT   10    4   22                                                 
CONECT   11    5    1                                                 
CONECT   12    6   17                                                 
CONECT   13    7   14   14   15                                       
CONECT   13   15   16                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   13                                                      
CONECT   17   12   18   18   19                                       
CONECT   17   19   20                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   17                                                      
CONECT   21   24   31   31   32                                       
CONECT   21   32   33                                                 
CONECT   22   10   23   29   46                                       
CONECT   23   22   25   24   47                                       
CONECT   24   23   21                                                 
CONECT   25   23   27   26   48                                       
CONECT   26   25   49                                                 
CONECT   27   25   28   28   50                                       
CONECT   28   29   27   27   30                                       
CONECT   29   22   28                                                 
CONECT   30   28   34   35   35                                       
CONECT   31   21   21                                                 
CONECT   32   21   21                                                 
CONECT   33   21                                                      
CONECT   34   30                                                      
CONECT   35   30   30                                                 
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
