COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.075   2.279   1.274  1.00  0.00           C  
HETATM    2  C   UNL     1       0.761   1.942   1.583  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.251   2.169   0.633  1.00  0.00           C  
HETATM    4  C   UNL     1       0.070   2.728  -0.606  1.00  0.00           C  
HETATM    5  C   UNL     1       1.367   3.052  -0.889  1.00  0.00           C  
HETATM    6  C   UNL     1       2.368   2.834   0.048  1.00  0.00           C  
HETATM    7  S   UNL     1      -2.421  -2.110   0.095  1.00  0.00           S  
HETATM    8  C   UNL     1      -0.698  -1.837  -0.148  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.236  -1.386  -1.370  1.00  0.00           C  
HETATM   10  C   UNL     1       1.115  -1.171  -1.563  1.00  0.00           C  
HETATM   11  C   UNL     1       2.009  -1.408  -0.529  1.00  0.00           C  
HETATM   12  C   UNL     1       1.543  -1.861   0.697  1.00  0.00           C  
HETATM   13  C   UNL     1       0.190  -2.069   0.886  1.00  0.00           C  
HETATM   14  O   UNL     1       3.338  -1.198  -0.716  1.00  0.00           O  
HETATM   15  C   UNL     1       4.199  -1.463   0.393  1.00  0.00           C  
HETATM   16  C   UNL     1       5.593  -1.182   0.010  1.00  0.00           C  
HETATM   17  C   UNL     1       6.704  -0.958  -0.295  1.00  0.00           C  
HETATM   18  C   UNL     1       8.097  -0.676  -0.677  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.978  -2.333  -1.194  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.534  -3.041   1.162  1.00  0.00           O  
HETATM   21  N   UNL     1       0.159   1.391   2.693  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.186   1.264   2.478  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.498   1.716   1.253  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.872   1.749   0.633  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.077   0.495  -0.219  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.399   0.586  -0.936  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.070  -0.688   0.644  1.00  0.00           N  
HETATM   28  O   UNL     1      -4.633   1.598  -1.787  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.249  -0.251  -0.746  1.00  0.00           O  
HETATM   30  C   UNL     1       1.712   3.655  -2.226  1.00  0.00           C  
HETATM   31  H   UNL     1       2.861   2.110   1.994  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.705   2.904  -1.338  1.00  0.00           H  
HETATM   33  H   UNL     1       3.388   3.095  -0.190  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.932  -1.201  -2.176  1.00  0.00           H  
HETATM   35  H   UNL     1       1.476  -0.818  -2.518  1.00  0.00           H  
HETATM   36  H   UNL     1       2.236  -2.047   1.504  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.174  -2.418   1.841  1.00  0.00           H  
HETATM   38  H   UNL     1       3.918  -0.827   1.232  1.00  0.00           H  
HETATM   39  H   UNL     1       4.106  -2.510   0.683  1.00  0.00           H  
HETATM   40  H   UNL     1       8.754  -0.879   0.169  1.00  0.00           H  
HETATM   41  H   UNL     1       8.379  -1.312  -1.516  1.00  0.00           H  
HETATM   42  H   UNL     1       8.190   0.370  -0.967  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.892   0.860   3.188  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.625   1.781   1.420  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.965   2.635   0.005  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.272   0.417  -0.950  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.445  -0.640   1.537  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.496   1.615  -2.223  1.00  0.00           H  
HETATM   49  H   UNL     1       1.644   4.741  -2.163  1.00  0.00           H  
HETATM   50  H   UNL     1       2.727   3.369  -2.502  1.00  0.00           H  
HETATM   51  H   UNL     1       1.015   3.290  -2.980  1.00  0.00           H  
HETATM   52  H   UNL     1       0.621   1.132   3.506  1.00  0.00           H  
CONECT    1    6    6    2   31                                       
CONECT    2    1    3    3   21                                       
CONECT    3    2    2    4   23                                       
CONECT    4    3    5    5   32                                       
CONECT    5    4    4   30    6                                       
CONECT    6    1    1    5   33                                       
CONECT    7   27   20   20    8                                       
CONECT    7   19   19                                                 
CONECT    8    7    9    9   13                                       
CONECT    9    8    8   10   34                                       
CONECT   10    9   11   11   35                                       
CONECT   11   10   10   14   12                                       
CONECT   12   11   13   13   36                                       
CONECT   13    8   12   12   37                                       
CONECT   14   11   15                                                 
CONECT   15   14   16   38   39                                       
CONECT   16   15   17   17   17                                       
CONECT   17   16   16   16   18                                       
CONECT   18   17   40   41   42                                       
CONECT   19    7    7                                                 
CONECT   20    7    7                                                 
CONECT   21    2   22   52                                            
CONECT   22   21   23   23   43                                       
CONECT   23    3   22   22   24                                       
CONECT   24   23   25   44   45                                       
CONECT   25   24   26   27   46                                       
CONECT   26   25   29   29   28                                       
CONECT   27    7   25   47                                            
CONECT   28   26   48                                                 
CONECT   29   26   26                                                 
CONECT   30    5   49   50   51                                       
CONECT   31    1                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   22                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   30                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
CONECT   52   21                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
