COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.514   2.870  -0.029  1.00  0.00           C  
HETATM    2  C   UNL     1       3.139   2.876   0.112  1.00  0.00           C  
HETATM    3  C   UNL     1       2.409   1.704  -0.090  1.00  0.00           C  
HETATM    4  C   UNL     1       3.068   0.528  -0.433  1.00  0.00           C  
HETATM    5  C   UNL     1       4.454   0.527  -0.574  1.00  0.00           C  
HETATM    6  C   UNL     1       5.174   1.707  -0.370  1.00  0.00           C  
HETATM    7  C   UNL     1       5.162  -0.719  -0.938  1.00  0.00           C  
HETATM    8  N   UNL     1       6.399  -0.956  -0.460  1.00  0.00           N  
HETATM    9  N   UNL     1      -1.750   1.706   0.336  1.00  0.00           N  
HETATM   10  N   UNL     1       0.239   0.582  -0.029  1.00  0.00           N  
HETATM   11  N   UNL     1      -1.772  -0.608   0.004  1.00  0.00           N  
HETATM   12  C   UNL     1       7.165  -2.126  -0.910  1.00  0.00           C  
HETATM   13  O   UNL     1       4.627  -1.530  -1.669  1.00  0.00           O  
HETATM   14  C   UNL     1       7.618  -2.921   0.318  1.00  0.00           C  
HETATM   15  C   UNL     1       8.385  -1.995   1.265  1.00  0.00           C  
HETATM   16  C   UNL     1       7.464  -0.866   1.734  1.00  0.00           C  
HETATM   17  C   UNL     1       7.011  -0.045   0.516  1.00  0.00           C  
HETATM   18  C   UNL     1       0.934   1.713   0.063  1.00  0.00           C  
HETATM   19  C   UNL     1       0.253   2.909   0.305  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.124   2.868   0.440  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.078   0.587   0.106  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.170  -0.608   0.026  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.876   0.405  -0.610  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.257   0.401  -0.587  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.936  -0.610   0.068  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.236  -1.620   0.702  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.855  -1.625   0.678  1.00  0.00           C  
HETATM   28  S   UNL     1      -7.698  -0.611   0.095  1.00  0.00           S  
HETATM   29  O   UNL     1      -8.082  -1.372   1.232  1.00  0.00           O  
HETATM   30  O   UNL     1      -8.103   0.735  -0.112  1.00  0.00           O  
HETATM   31  N   UNL     1      -8.208  -1.462  -1.231  1.00  0.00           N  
HETATM   32  H   UNL     1       5.073   3.781   0.123  1.00  0.00           H  
HETATM   33  H   UNL     1       2.629   3.789   0.379  1.00  0.00           H  
HETATM   34  H   UNL     1       2.507  -0.382  -0.590  1.00  0.00           H  
HETATM   35  H   UNL     1       6.248   1.709  -0.483  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.288  -1.444  -0.082  1.00  0.00           H  
HETATM   37  H   UNL     1       6.535  -2.754  -1.540  1.00  0.00           H  
HETATM   38  H   UNL     1       8.036  -1.797  -1.477  1.00  0.00           H  
HETATM   39  H   UNL     1       6.746  -3.326   0.832  1.00  0.00           H  
HETATM   40  H   UNL     1       8.267  -3.738   0.003  1.00  0.00           H  
HETATM   41  H   UNL     1       8.729  -2.564   2.129  1.00  0.00           H  
HETATM   42  H   UNL     1       9.243  -1.572   0.743  1.00  0.00           H  
HETATM   43  H   UNL     1       6.593  -1.290   2.234  1.00  0.00           H  
HETATM   44  H   UNL     1       8.003  -0.221   2.427  1.00  0.00           H  
HETATM   45  H   UNL     1       7.872   0.450   0.065  1.00  0.00           H  
HETATM   46  H   UNL     1       6.280   0.701   0.829  1.00  0.00           H  
HETATM   47  H   UNL     1       0.789   3.843   0.385  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.681   3.773   0.627  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.346   1.194  -1.121  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.807   1.188  -1.082  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.770  -2.408   1.213  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.309  -2.417   1.170  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.558  -1.845  -1.841  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.157  -1.578  -1.397  1.00  0.00           H  
CONECT    1    2    6    6   32                                       
CONECT    2    3    3    1   33                                       
CONECT    3   18    2    2    4                                       
CONECT    4    3    5    5   34                                       
CONECT    5    4    4    6    7                                       
CONECT    6    1    1    5   35                                       
CONECT    7    5    8   13   13                                       
CONECT    8   12    7   17                                            
CONECT    9   20   20   21                                            
CONECT   10   21   21   18                                            
CONECT   11   21   22   36                                            
CONECT   12   14    8   37   38                                       
CONECT   13    7    7                                                 
CONECT   14   12   15   39   40                                       
CONECT   15   14   16   41   42                                       
CONECT   16   15   17   43   44                                       
CONECT   17    8   16   45   46                                       
CONECT   18   19   19   10    3                                       
CONECT   19   20   18   18   47                                       
CONECT   20    9    9   19   48                                       
CONECT   21    9   11   10   10                                       
CONECT   22   11   23   23   27                                       
CONECT   23   22   22   24   49                                       
CONECT   24   23   25   25   50                                       
CONECT   25   24   24   26   28                                       
CONECT   26   27   27   25   51                                       
CONECT   27   22   26   26   52                                       
CONECT   28   31   25   30   30                                       
CONECT   28   29   29                                                 
CONECT   29   28   28                                                 
CONECT   30   28   28                                                 
CONECT   31   28   53   54                                            
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
