COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.859  -1.973   0.368  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.488  -1.723  -0.040  1.00  0.00           O  
HETATM    3  C   UNL     1       1.774  -0.887  -0.204  1.00  0.00           C  
HETATM    4  C   UNL     1       1.286   0.484   0.272  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.174   0.670  -0.153  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.014  -0.475   0.417  1.00  0.00           C  
HETATM    7  O   UNL     1       0.935  -1.957   1.795  1.00  0.00           O  
HETATM    8  O   UNL     1       3.133  -1.106   0.257  1.00  0.00           O  
HETATM    9  C   UNL     1       3.918  -1.883  -0.506  1.00  0.00           C  
HETATM   10  O   UNL     1       3.484  -2.364  -1.525  1.00  0.00           O  
HETATM   11  C   UNL     1       5.341  -2.154  -0.091  1.00  0.00           C  
HETATM   12  C   UNL     1       6.010  -3.060  -1.127  1.00  0.00           C  
HETATM   13  O   UNL     1       2.102   1.525  -0.326  1.00  0.00           O  
HETATM   14  C   UNL     1       3.196   1.906   0.352  1.00  0.00           C  
HETATM   15  O   UNL     1       3.462   1.388   1.410  1.00  0.00           O  
HETATM   16  C   UNL     1       4.092   2.981  -0.207  1.00  0.00           C  
HETATM   17  C   UNL     1       5.258   3.224   0.754  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.670   1.936   0.356  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.620   2.553  -0.364  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.023   2.052  -1.388  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.183   3.871   0.102  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.240   4.354  -0.892  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.463  -0.330  -0.053  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.269  -1.331   0.571  1.00  0.00           O  
HETATM   25  S   UNL     1      -4.737  -1.280   0.173  1.00  0.00           S  
HETATM   26  O   UNL     1      -5.415  -2.194   1.023  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.080   0.096   0.081  1.00  0.00           O  
HETATM   28  N   UNL     1      -4.852  -1.894  -1.360  1.00  0.00           N  
HETATM   29  H   UNL     1       1.176  -2.948  -0.002  1.00  0.00           H  
HETATM   30  H   UNL     1       1.747  -0.926  -1.293  1.00  0.00           H  
HETATM   31  H   UNL     1       1.359   0.540   1.358  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.240   0.664  -1.241  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.980  -0.444   1.506  1.00  0.00           H  
HETATM   34  H   UNL     1       0.379  -2.620   2.226  1.00  0.00           H  
HETATM   35  H   UNL     1       5.886  -1.212  -0.025  1.00  0.00           H  
HETATM   36  H   UNL     1       5.348  -2.647   0.881  1.00  0.00           H  
HETATM   37  H   UNL     1       5.465  -4.002  -1.192  1.00  0.00           H  
HETATM   38  H   UNL     1       6.003  -2.567  -2.099  1.00  0.00           H  
HETATM   39  H   UNL     1       7.040  -3.256  -0.826  1.00  0.00           H  
HETATM   40  H   UNL     1       4.480   2.664  -1.175  1.00  0.00           H  
HETATM   41  H   UNL     1       3.523   3.903  -0.327  1.00  0.00           H  
HETATM   42  H   UNL     1       5.906   4.002   0.350  1.00  0.00           H  
HETATM   43  H   UNL     1       4.870   3.541   1.723  1.00  0.00           H  
HETATM   44  H   UNL     1       5.827   2.303   0.875  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.639   3.744   1.084  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.381   4.606   0.166  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.042   3.619  -0.956  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.648   5.307  -0.555  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.784   4.482  -1.874  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.835   0.658   0.219  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.507  -0.450  -1.135  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.055  -2.200  -1.821  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.715  -1.948  -1.798  1.00  0.00           H  
CONECT    1    2    3    7   29                                       
CONECT    2    1    6                                                 
CONECT    3    1    4    8   30                                       
CONECT    4    3    5   13   31                                       
CONECT    5    4    6   18   32                                       
CONECT    6    2    5   23   33                                       
CONECT    7    1   34                                                 
CONECT    8    3    9                                                 
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   35   36                                       
CONECT   12   11   37   38   39                                       
CONECT   13    4   14                                                 
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   40   41                                       
CONECT   17   16   42   43   44                                       
CONECT   18    5   19                                                 
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   45   46                                       
CONECT   22   21   47   48   49                                       
CONECT   23    6   24   50   51                                       
CONECT   24   23   25                                                 
CONECT   25   24   26   26   27                                       
CONECT   25   27   28                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   25   52   53                                            
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
