COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.470   1.393   0.424  1.00  0.00           C  
HETATM    2  C   UNL     1       9.394  -0.476  -1.011  1.00  0.00           C  
HETATM    3  C   UNL     1       7.531  -1.171   0.489  1.00  0.00           C  
HETATM    4  N   UNL     1       2.101   0.564  -0.560  1.00  0.00           N  
HETATM    5  C   UNL     1      -8.156  -1.439   0.257  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.103  -0.132  -1.301  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.768   0.584  -1.014  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.660  -0.430  -0.725  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.326   0.303  -0.568  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.217  -0.712  -0.280  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.883   0.021  -0.123  1.00  0.00           C  
HETATM   12  C   UNL     1       0.225  -0.993   0.165  1.00  0.00           C  
HETATM   13  C   UNL     1       1.539  -0.271   0.320  1.00  0.00           C  
HETATM   14  C   UNL     1       2.382  -0.342   1.377  1.00  0.00           C  
HETATM   15  C   UNL     1       4.593   0.708   1.931  1.00  0.00           C  
HETATM   16  C   UNL     1       5.851   0.398   1.161  1.00  0.00           C  
HETATM   17  C   UNL     1       7.621   1.115  -0.283  1.00  0.00           C  
HETATM   18  C   UNL     1       8.161  -0.172  -0.256  1.00  0.00           C  
HETATM   19  C   UNL     1       6.380  -0.880   1.193  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.893   1.919   0.002  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.306   0.624  -0.725  1.00  0.00           C  
HETATM   22  N   UNL     1      -7.122  -1.422  -0.594  1.00  0.00           N  
HETATM   23  N   UNL     1       3.426   0.466   1.079  1.00  0.00           N  
HETATM   24  N   UNL     1       3.219   0.984  -0.080  1.00  0.00           N  
HETATM   25  N   UNL     1      -8.885  -0.315   0.248  1.00  0.00           N  
HETATM   26  O   UNL     1      -8.414  -2.391   0.969  1.00  0.00           O  
HETATM   27  O   UNL     1       9.861  -1.597  -0.985  1.00  0.00           O  
HETATM   28  O   UNL     1       9.999   0.490  -1.729  1.00  0.00           O  
HETATM   29  S   UNL     1      -6.154   1.573   0.488  1.00  0.00           S  
HETATM   30  H   UNL     1       6.049   2.387   0.400  1.00  0.00           H  
HETATM   31  H   UNL     1       7.943  -2.168   0.515  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.225  -0.287  -2.372  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.490   1.232  -1.845  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.889  -0.968   0.195  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.590  -1.138  -1.552  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.096   0.840  -1.488  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.395   1.010   0.258  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.447  -1.249   0.640  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.148  -1.419  -1.106  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.654   0.559  -1.043  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.953   0.728   0.703  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.005  -1.531   1.085  1.00  0.00           H  
HETATM   43  H   UNL     1       0.294  -1.701  -0.661  1.00  0.00           H  
HETATM   44  H   UNL     1       2.248  -0.924   2.276  1.00  0.00           H  
HETATM   45  H   UNL     1       4.540   0.068   2.812  1.00  0.00           H  
HETATM   46  H   UNL     1       4.606   1.753   2.242  1.00  0.00           H  
HETATM   47  H   UNL     1       8.103   1.892  -0.858  1.00  0.00           H  
HETATM   48  H   UNL     1       5.892  -1.651   1.769  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.944   2.774  -0.672  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.515   2.083   0.882  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.029   0.847  -1.510  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.487  -2.144  -0.724  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.668  -0.147   0.796  1.00  0.00           H  
HETATM   54  H   UNL     1      10.803   0.243  -2.207  1.00  0.00           H  
CONECT    1   16   16   17   30                                       
CONECT    2   18   27   27   28                                       
CONECT    3   18   19   19   31                                       
CONECT    4   13   24   24                                            
CONECT    5   22   25   26   26                                       
CONECT    6    7   22   32   21                                       
CONECT    7    6    8   29   33                                       
CONECT    8    7    9   34   35                                       
CONECT    9    8   10   36   37                                       
CONECT   10    9   11   38   39                                       
CONECT   11   10   12   40   41                                       
CONECT   12   11   13   42   43                                       
CONECT   13    4   12   14   14                                       
CONECT   14   13   13   23   44                                       
CONECT   15   16   23   45   46                                       
CONECT   16    1    1   15   19                                       
CONECT   17    1   18   18   47                                       
CONECT   18    2    3   17   17                                       
CONECT   19    3    3   16   48                                       
CONECT   20   21   29   49   50                                       
CONECT   21   20   25   51    6                                       
CONECT   22    5    6   52                                            
CONECT   23   14   15   24                                            
CONECT   24    4    4   23                                            
CONECT   25    5   21   53                                            
CONECT   26    5    5                                                 
CONECT   27    2    2                                                 
CONECT   28    2   54                                                 
CONECT   29    7   20                                                 
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   17                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   25                                                      
CONECT   54   28                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
