COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.578   0.388   0.053  1.00  0.00           C  
HETATM    2  C   UNL     1       3.296   0.467   0.603  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.976   0.284  -0.452  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.109   1.405  -0.910  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.574   0.056  -1.550  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.826   1.383   0.202  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.286  -2.223   0.425  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.379  -1.056  -1.091  1.00  0.00           C  
HETATM    9  C   UNL     1       8.688   1.246  -0.011  1.00  0.00           C  
HETATM   10  S   UNL     1       7.137   1.069  -0.935  1.00  0.00           S  
HETATM   11  C   UNL     1       6.402  -0.426  -0.216  1.00  0.00           C  
HETATM   12  C   UNL     1       5.724  -0.074   1.109  1.00  0.00           C  
HETATM   13  N   UNL     1       4.598   0.829   0.857  1.00  0.00           N  
HETATM   14  N   UNL     1       4.638   2.230   0.827  1.00  0.00           N  
HETATM   15  N   UNL     1       3.462   2.688   0.576  1.00  0.00           N  
HETATM   16  C   UNL     1       2.585   1.668   0.427  1.00  0.00           C  
HETATM   17  C   UNL     1       1.215   1.620   0.149  1.00  0.00           C  
HETATM   18  C   UNL     1       1.304  -0.799   0.232  1.00  0.00           C  
HETATM   19  C   UNL     1       2.640  -0.757   0.503  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.825   0.331  -0.225  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.380   0.227  -0.730  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.461   1.342  -1.172  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.096   0.116  -1.262  1.00  0.00           C  
HETATM   24  N   UNL     1      -8.321   0.214  -0.300  1.00  0.00           N  
HETATM   25  C   UNL     1      -9.432   1.079   1.365  1.00  0.00           C  
HETATM   26  N   UNL     1      -9.301  -0.241   1.568  1.00  0.00           N  
HETATM   27  C   UNL     1      -8.641  -0.766   0.572  1.00  0.00           C  
HETATM   28  O   UNL     1      -7.083  -2.496   1.146  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.027  -1.008  -0.823  1.00  0.00           C  
HETATM   30  N   UNL     1       7.451  -1.420   0.022  1.00  0.00           N  
HETATM   31  O   UNL     1       8.207  -1.380   1.219  1.00  0.00           O  
HETATM   32  C   UNL     1       7.698  -2.373  -0.899  1.00  0.00           C  
HETATM   33  O   UNL     1       8.566  -3.196  -0.703  1.00  0.00           O  
HETATM   34  H   UNL     1      -3.615   2.363  -0.839  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.843   0.857  -2.238  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.818  -0.907  -2.000  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.749   2.363  -0.247  1.00  0.00           H  
HETATM   38  H   UNL     1      -9.095  -2.836   0.823  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.139  -2.456  -0.630  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.881  -2.009  -1.163  1.00  0.00           H  
HETATM   41  H   UNL     1       9.223   2.127  -0.364  1.00  0.00           H  
HETATM   42  H   UNL     1       8.468   1.356   1.051  1.00  0.00           H  
HETATM   43  H   UNL     1       9.305   0.361  -0.163  1.00  0.00           H  
HETATM   44  H   UNL     1       5.663  -0.835  -0.905  1.00  0.00           H  
HETATM   45  H   UNL     1       5.360  -0.985   1.584  1.00  0.00           H  
HETATM   46  H   UNL     1       6.442   0.416   1.766  1.00  0.00           H  
HETATM   47  H   UNL     1       0.656   2.533   0.011  1.00  0.00           H  
HETATM   48  H   UNL     1       0.802  -1.752   0.156  1.00  0.00           H  
HETATM   49  H   UNL     1       3.191  -1.676   0.639  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.027   2.253  -1.307  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.935   1.775   2.020  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.794  -3.418   1.095  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.470  -1.923  -0.689  1.00  0.00           H  
HETATM   54  H   UNL     1       8.875  -2.076   1.285  1.00  0.00           H  
HETATM   55  H   UNL     1       7.122  -2.404  -1.812  1.00  0.00           H  
CONECT    1   17   20   18   18                                       
CONECT    2   16   13   19   19                                       
CONECT    3   21   20   20   20                                       
CONECT    4   21   21   22   34                                       
CONECT    5   24   23   35   36                                       
CONECT    6   25   25   24   37                                       
CONECT    7   27   28   38   39                                       
CONECT    8   29   29   23   40                                       
CONECT    9   10   41   42   43                                       
CONECT   10    9   11                                                 
CONECT   11   30   10   12   44                                       
CONECT   12   11   13   45   46                                       
CONECT   13   14    2   12                                            
CONECT   14   15   15   13                                            
CONECT   15   16   14   14                                            
CONECT   16   15   17   17    2                                       
CONECT   17   16   16    1   47                                       
CONECT   18    1    1   19   48                                       
CONECT   19    2    2   18   49                                       
CONECT   20    3    3    3    1                                       
CONECT   21   29    3    4    4                                       
CONECT   22   23   23    4   50                                       
CONECT   23    8    5   22   22                                       
CONECT   24    6   27    5                                            
CONECT   25    6    6   26   51                                       
CONECT   26   25   27   27                                            
CONECT   27   26   26   24    7                                       
CONECT   28    7   52                                                 
CONECT   29    8    8   21   53                                       
CONECT   30   32   31   11                                            
CONECT   31   30   54                                                 
CONECT   32   33   33   30   55                                       
CONECT   33   32   32                                                 
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   22                                                      
CONECT   51   25                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   31                                                      
CONECT   55   32                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
