COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.104  -0.568  -3.047  1.00  0.00           C  
HETATM    2  C   UNL     1       3.581  -1.446  -1.908  1.00  0.00           C  
HETATM    3  C   UNL     1       2.725  -1.244   0.301  1.00  0.00           C  
HETATM    4  C   UNL     1       2.828  -2.621   0.410  1.00  0.00           C  
HETATM    5  C   UNL     1       2.401  -3.258   1.561  1.00  0.00           C  
HETATM    6  C   UNL     1       1.871  -2.524   2.604  1.00  0.00           C  
HETATM    7  C   UNL     1       1.765  -1.149   2.502  1.00  0.00           C  
HETATM    8  C   UNL     1       2.197  -0.504   1.355  1.00  0.00           C  
HETATM    9  C   UNL     1       1.449   1.533   2.330  1.00  0.00           C  
HETATM   10  C   UNL     1       1.331   3.020   1.991  1.00  0.00           C  
HETATM   11  C   UNL     1       1.142   3.067  -0.423  1.00  0.00           C  
HETATM   12  C   UNL     1       0.147   2.766  -1.546  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.475   1.414  -1.316  1.00  0.00           C  
HETATM   14  C   UNL     1       0.176   0.272  -1.746  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.394  -0.969  -1.537  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.619  -1.070  -0.894  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.270   0.077  -0.463  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.694   1.316  -0.671  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.454  -3.427  -1.159  1.00  0.00           C  
HETATM   20  C   UNL     1       1.872   4.378  -0.725  1.00  0.00           C  
HETATM   21  N   UNL     1       0.420   3.191   0.851  1.00  0.00           N  
HETATM   22  N   UNL     1      -4.909  -0.652  -0.744  1.00  0.00           N  
HETATM   23  O   UNL     1       3.145  -0.616  -0.830  1.00  0.00           O  
HETATM   24  O   UNL     1       2.093   0.848   1.253  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.674  -1.040   1.358  1.00  0.00           O  
HETATM   26  O   UNL     1      -4.240   1.284   0.632  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.181  -2.290  -0.688  1.00  0.00           O  
HETATM   28  S   UNL     1      -3.826  -0.047   0.353  1.00  0.00           S  
HETATM   29  H   UNL     1       4.518  -1.201  -3.833  1.00  0.00           H  
HETATM   30  H   UNL     1       3.285   0.026  -3.453  1.00  0.00           H  
HETATM   31  H   UNL     1       4.881   0.095  -2.668  1.00  0.00           H  
HETATM   32  H   UNL     1       2.745  -2.046  -2.266  1.00  0.00           H  
HETATM   33  H   UNL     1       4.378  -2.104  -1.561  1.00  0.00           H  
HETATM   34  H   UNL     1       3.242  -3.198  -0.405  1.00  0.00           H  
HETATM   35  H   UNL     1       2.482  -4.332   1.644  1.00  0.00           H  
HETATM   36  H   UNL     1       1.538  -3.025   3.501  1.00  0.00           H  
HETATM   37  H   UNL     1       1.350  -0.577   3.319  1.00  0.00           H  
HETATM   38  H   UNL     1       2.037   1.413   3.240  1.00  0.00           H  
HETATM   39  H   UNL     1       0.454   1.114   2.482  1.00  0.00           H  
HETATM   40  H   UNL     1       0.939   3.559   2.853  1.00  0.00           H  
HETATM   41  H   UNL     1       2.314   3.413   1.733  1.00  0.00           H  
HETATM   42  H   UNL     1       1.867   2.256  -0.352  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.632   3.529  -1.554  1.00  0.00           H  
HETATM   44  H   UNL     1       0.669   2.769  -2.503  1.00  0.00           H  
HETATM   45  H   UNL     1       1.129   0.351  -2.247  1.00  0.00           H  
HETATM   46  H   UNL     1       0.115  -1.860  -1.874  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.199   2.208  -0.332  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.013  -4.335  -0.930  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.314  -3.348  -2.237  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.482  -3.466  -0.668  1.00  0.00           H  
HETATM   51  H   UNL     1       2.581   4.592   0.075  1.00  0.00           H  
HETATM   52  H   UNL     1       2.408   4.285  -1.670  1.00  0.00           H  
HETATM   53  H   UNL     1       1.148   5.189  -0.796  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.345   2.536   0.898  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.619  -0.863  -1.645  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.832  -0.796  -0.485  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2   23    1   32   33                                       
CONECT    3    4    4    8   23                                       
CONECT    4    5    3    3   34                                       
CONECT    5    6    6    4   35                                       
CONECT    6    5    5    7   36                                       
CONECT    7    6    8    8   37                                       
CONECT    8    7    7    3   24                                       
CONECT    9   24   10   38   39                                       
CONECT   10    9   21   40   41                                       
CONECT   11   21   20   12   42                                       
CONECT   12   11   13   43   44                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13   15   45                                       
CONECT   15   14   16   16   46                                       
CONECT   16   15   15   17   27                                       
CONECT   17   18   18   16   28                                       
CONECT   18   13   17   17   47                                       
CONECT   19   27   48   49   50                                       
CONECT   20   11   51   52   53                                       
CONECT   21   10   11   54                                            
CONECT   22   28   55   56                                            
CONECT   23    3    2                                                 
CONECT   24    8    9                                                 
CONECT   25   28   28                                                 
CONECT   26   28   28                                                 
CONECT   27   16   19                                                 
CONECT   28   17   26   26   25                                       
CONECT   28   25   22                                                 
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
