COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.916   5.902  -1.167  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.949   4.964  -0.804  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.396   3.849   0.089  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.914   4.366   1.439  1.00  0.00           C  
HETATM    5  S   UNL     1      -2.311   3.051   2.450  1.00  0.00           S  
HETATM    6  C   UNL     1      -1.734   3.796   3.944  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.881   2.428   1.621  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.199   1.333   2.429  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.128   0.236   2.584  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.616  -0.910   1.877  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.713  -1.611   1.213  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.815  -2.957   0.996  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.937  -3.909   1.343  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.384  -5.125   0.960  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.532  -5.444   0.316  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.373  -4.431  -0.004  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.580  -4.698  -0.672  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.023  -3.129   0.339  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.651  -1.923   0.154  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.841  -1.034   0.689  1.00  0.00           C  
HETATM   21  C   UNL     1       0.447  -0.380   0.926  1.00  0.00           C  
HETATM   22  O   UNL     1       1.399  -1.370   0.596  1.00  0.00           O  
HETATM   23  C   UNL     1       1.032   0.761   1.734  1.00  0.00           C  
HETATM   24  O   UNL     1       1.918   0.238   2.725  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.108   5.665  -0.107  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.089   6.861   0.169  1.00  0.00           O  
HETATM   27  O   UNL     1      -6.139   4.817   0.166  1.00  0.00           O  
HETATM   28  C   UNL     1      -7.268   5.400   0.825  1.00  0.00           C  
HETATM   29  H   UNL     1      -2.458   6.427  -0.442  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.813   6.164  -2.132  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.341   4.558  -1.743  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.562   3.347  -0.417  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.163   3.078   0.243  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.720   4.847   2.000  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.091   5.078   1.320  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.236   2.100   2.672  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.657   3.943   3.862  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.243   4.752   4.071  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.966   3.126   4.774  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.211   2.050   0.649  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.207   3.274   1.461  1.00  0.00           H  
HETATM   42  H   UNL     1       0.033   1.713   3.429  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.213  -1.625   2.603  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.735  -5.961   1.201  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.567  -4.889  -1.656  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.448  -4.601  -0.179  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.013   0.033   0.727  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.005   0.000   0.002  1.00  0.00           H  
HETATM   49  H   UNL     1       0.913  -2.125   0.219  1.00  0.00           H  
HETATM   50  H   UNL     1       1.592   1.484   1.136  1.00  0.00           H  
HETATM   51  H   UNL     1       2.712  -0.055   2.254  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.391   6.434   0.493  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.116   5.369   1.907  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.164   4.828   0.568  1.00  0.00           H  
CONECT    1    2   29   30                                            
CONECT    2    1    3   25   31                                       
CONECT    3    2    4   32   33                                       
CONECT    4    3    5   34   35                                       
CONECT    5    4    6    7   36                                       
CONECT    6    5   37   38   39                                       
CONECT    7    5    8   40   41                                       
CONECT    8    7    9   23   42                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   21   43                                       
CONECT   11   10   12   20                                            
CONECT   12   11   13   13   18                                       
CONECT   13   12   12   14                                            
CONECT   14   13   15   15   44                                       
CONECT   15   14   14   16                                            
CONECT   16   15   17   18   18                                       
CONECT   17   16   45   46                                            
CONECT   18   12   16   16   19                                       
CONECT   19   18   20   20                                            
CONECT   20   11   19   19   47                                       
CONECT   21   10   22   23   48                                       
CONECT   22   21   49                                                 
CONECT   23    8   21   24   50                                       
CONECT   24   23   51                                                 
CONECT   25    2   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28                                                 
CONECT   28   27   52   53   54                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43   10                                                      
CONECT   44   14                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
