COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.091   1.332  -1.771  1.00  0.00           C  
HETATM    2  C   UNL     1       3.780   2.321  -0.645  1.00  0.00           C  
HETATM    3  C   UNL     1       2.301   2.709  -0.702  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.243  -0.481   0.599  1.00  0.00           C  
HETATM    5  C   UNL     1       5.570   0.944  -1.714  1.00  0.00           C  
HETATM    6  C   UNL     1       1.739   0.815   0.797  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.180  -1.604  -0.226  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.427   0.211   0.668  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.504  -0.236  -0.075  1.00  0.00           C  
HETATM   10  C   UNL     1       3.228   0.079  -1.602  1.00  0.00           C  
HETATM   11  O   UNL     1       2.761   1.093   1.387  1.00  0.00           O  
HETATM   12  C   UNL     1       1.438   1.457  -0.533  1.00  0.00           C  
HETATM   13  C   UNL     1       1.749   0.468  -1.658  1.00  0.00           C  
HETATM   14  N   UNL     1       0.871  -0.067   1.331  1.00  0.00           N  
HETATM   15  C   UNL     1       1.097  -0.592   2.680  1.00  0.00           C  
HETATM   16  C   UNL     1       2.473  -1.258   2.744  1.00  0.00           C  
HETATM   17  C   UNL     1       1.039   0.555   3.690  1.00  0.00           C  
HETATM   18  C   UNL     1       0.912  -2.471  -0.465  1.00  0.00           C  
HETATM   19  O   UNL     1       2.005  -2.217   0.005  1.00  0.00           O  
HETATM   20  O   UNL     1       0.741  -3.581  -1.214  1.00  0.00           O  
HETATM   21  S   UNL     1      -1.833  -1.671  -0.897  1.00  0.00           S  
HETATM   22  C   UNL     1      -3.866   0.331  -0.167  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.527   0.372  -1.395  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.798   0.902  -1.474  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.417   1.393  -0.338  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.767   1.357   0.883  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.498   0.824   0.976  1.00  0.00           C  
HETATM   28  H   UNL     1       3.873   1.796  -2.733  1.00  0.00           H  
HETATM   29  H   UNL     1       4.394   3.213  -0.766  1.00  0.00           H  
HETATM   30  H   UNL     1       3.997   1.857   0.317  1.00  0.00           H  
HETATM   31  H   UNL     1       2.083   3.173  -1.664  1.00  0.00           H  
HETATM   32  H   UNL     1       2.079   3.413   0.100  1.00  0.00           H  
HETATM   33  H   UNL     1       5.787   0.480  -0.752  1.00  0.00           H  
HETATM   34  H   UNL     1       5.791   0.239  -2.516  1.00  0.00           H  
HETATM   35  H   UNL     1       6.184   1.836  -1.834  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.516   1.088   1.292  1.00  0.00           H  
HETATM   37  H   UNL     1       3.450  -0.625  -2.403  1.00  0.00           H  
HETATM   38  H   UNL     1       3.445  -0.385  -0.640  1.00  0.00           H  
HETATM   39  H   UNL     1       0.385   1.733  -0.573  1.00  0.00           H  
HETATM   40  H   UNL     1       1.135  -0.425  -1.538  1.00  0.00           H  
HETATM   41  H   UNL     1       1.532   0.932  -2.620  1.00  0.00           H  
HETATM   42  H   UNL     1       0.327  -1.326   2.918  1.00  0.00           H  
HETATM   43  H   UNL     1       2.687  -1.552   3.771  1.00  0.00           H  
HETATM   44  H   UNL     1       2.480  -2.141   2.104  1.00  0.00           H  
HETATM   45  H   UNL     1       3.233  -0.556   2.400  1.00  0.00           H  
HETATM   46  H   UNL     1       1.762   1.321   3.412  1.00  0.00           H  
HETATM   47  H   UNL     1       0.037   0.985   3.694  1.00  0.00           H  
HETATM   48  H   UNL     1       1.275   0.176   4.684  1.00  0.00           H  
HETATM   49  H   UNL     1       1.598  -4.027  -1.253  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.045  -0.011  -2.283  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.311   0.934  -2.424  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.412   1.808  -0.405  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.256   1.742   1.765  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.992   0.796   1.929  1.00  0.00           H  
CONECT    1    2    5   10   28                                       
CONECT    2    1    3   29   30                                       
CONECT    3    2   12   31   32                                       
CONECT    4    7    7    8   14                                       
CONECT    5    1   33   34   35                                       
CONECT    6   11   11   12   14                                       
CONECT    7    4    4   18   21                                       
CONECT    8    4    9    9   36                                       
CONECT    9    8    8   21   22                                       
CONECT   10    1   13   37   38                                       
CONECT   11    6    6                                                 
CONECT   12    3    6   13   39                                       
CONECT   13   10   12   40   41                                       
CONECT   14    4    6   15                                            
CONECT   15   14   16   17   42                                       
CONECT   16   15   43   44   45                                       
CONECT   17   15   46   47   48                                       
CONECT   18    7   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   49                                                 
CONECT   21    7    9                                                 
CONECT   22    9   23   23   27                                       
CONECT   23   22   22   24   50                                       
CONECT   24   23   25   25   51                                       
CONECT   25   24   24   26   52                                       
CONECT   26   25   27   27   53                                       
CONECT   27   22   26   26   54                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   20                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
