COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.486  -2.842  -0.899  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.117  -0.389   1.661  1.00  0.00           C  
HETATM    3  N   UNL     1       4.644   2.115  -0.256  1.00  0.00           N  
HETATM    4  O   UNL     1      -6.583  -1.282  -0.278  1.00  0.00           O  
HETATM    5  O   UNL     1       4.277  -0.072  -1.337  1.00  0.00           O  
HETATM    6  O   UNL     1       6.158   0.241   0.278  1.00  0.00           O  
HETATM    7  C   UNL     1       1.840   1.074   0.596  1.00  0.00           C  
HETATM    8  C   UNL     1       0.695  -1.370   0.041  1.00  0.00           C  
HETATM    9  C   UNL     1       2.852  -2.566   0.466  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.070   1.114  -0.285  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.278   2.299   0.211  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.702   1.837  -0.144  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.599   2.128  -0.538  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.137  -1.631   0.081  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.611  -1.733  -0.356  1.00  0.00           C  
HETATM   16  O   UNL     1       3.924   0.000   0.993  1.00  0.00           O  
HETATM   17  C   UNL     1      -5.790  -0.380  -0.157  1.00  0.00           C  
HETATM   18  C   UNL     1       2.028  -1.306   0.391  1.00  0.00           C  
HETATM   19  C   UNL     1       0.497   1.008   0.253  1.00  0.00           C  
HETATM   20  C   UNL     1       2.608  -0.076   0.663  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.073  -0.216  -0.032  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.512  -0.345  -0.440  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.304   0.888   0.013  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.705   0.743  -0.547  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.327  -0.499   0.150  1.00  0.00           C  
HETATM   26  S   UNL     1       4.821   0.473  -0.143  1.00  0.00           S  
HETATM   27  H   UNL     1       4.082  -3.753  -0.845  1.00  0.00           H  
HETATM   28  H   UNL     1       2.701  -2.966  -1.645  1.00  0.00           H  
HETATM   29  H   UNL     1       4.125  -2.005  -1.179  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.640  -1.203   2.162  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.052  -0.449   1.885  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.508   0.566   2.014  1.00  0.00           H  
HETATM   33  H   UNL     1       0.243  -2.328  -0.169  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.083  -1.641   1.169  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.585  -2.484  -0.314  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.672  -1.775  -1.444  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.063  -2.626   0.074  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.550  -0.371  -1.529  1.00  0.00           H  
HETATM   39  H   UNL     1       4.053   2.583   0.355  1.00  0.00           H  
HETATM   40  H   UNL     1       5.132   2.610  -0.932  1.00  0.00           H  
HETATM   41  H   UNL     1       2.291   2.032   0.809  1.00  0.00           H  
HETATM   42  H   UNL     1       2.212  -3.403   0.746  1.00  0.00           H  
HETATM   43  H   UNL     1       3.637  -2.442   1.213  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.746   1.437   0.506  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.506   1.330  -1.261  1.00  0.00           H  
HETATM   46  H   UNL     1       0.321   3.058  -0.292  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.485   2.624   1.230  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.641   2.686  -0.824  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.536   2.151   0.887  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.226   3.006  -0.383  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.405   1.998  -1.603  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.328   0.931   1.102  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.678   0.623  -1.630  1.00  0.00           H  
CONECT    1    9   27   28   29                                       
CONECT    2   25   30   32   31                                       
CONECT    3   26   39   40                                            
CONECT    4   17   17                                                 
CONECT    5   26   26                                                 
CONECT    6   26   26                                                 
CONECT    7   19   19   20   41                                       
CONECT    8   21   21   33   18                                       
CONECT    9    1   18   42   43                                       
CONECT   10   12   17   44   45                                       
CONECT   11   13   19   46   47                                       
CONECT   12   10   24   48   49                                       
CONECT   13   11   23   50   51                                       
CONECT   14   22   15   34   35                                       
CONECT   15   14   37   25   36                                       
CONECT   16   20   26                                                 
CONECT   17    4    4   10   25                                       
CONECT   18    8    9   20   20                                       
CONECT   19    7    7   11   21                                       
CONECT   20    7   16   18   18                                       
CONECT   21    8    8   19   22                                       
CONECT   22   14   21   38   23                                       
CONECT   23   13   22   24   52                                       
CONECT   24   12   23   25   53                                       
CONECT   25    2   15   17   24                                       
CONECT   26    3    5    5    6                                       
CONECT   26    6   16                                                 
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    8                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   22                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    7                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
