COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.864   0.439  -1.201  1.00  0.00           C  
HETATM    2  C   UNL     1       3.419  -2.331  -0.077  1.00  0.00           C  
HETATM    3  C   UNL     1       1.371  -2.365   1.114  1.00  0.00           C  
HETATM    4  C   UNL     1       2.981  -3.777   0.020  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.464   0.484   0.367  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.911  -0.567  -0.467  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.030  -1.532  -0.175  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.144  -0.539  -1.572  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.367   3.134   1.259  1.00  0.00           O  
HETATM   10  S   UNL     1      -1.535   2.474   0.314  1.00  0.00           S  
HETATM   11  N   UNL     1      -0.246   1.875   1.164  1.00  0.00           N  
HETATM   12  C   UNL     1       0.708   1.166   0.530  1.00  0.00           C  
HETATM   13  N   UNL     1       1.757   0.678   1.221  1.00  0.00           N  
HETATM   14  C   UNL     1       2.693  -0.146   0.585  1.00  0.00           C  
HETATM   15  C   UNL     1       3.817   0.415  -0.009  1.00  0.00           C  
HETATM   16  C   UNL     1       4.260   1.859  -0.108  1.00  0.00           C  
HETATM   17  C   UNL     1       5.757   1.798  -0.477  1.00  0.00           C  
HETATM   18  C   UNL     1       4.739  -0.401  -0.637  1.00  0.00           C  
HETATM   19  C   UNL     1       4.537  -1.770  -0.669  1.00  0.00           C  
HETATM   20  C   UNL     1       2.494  -1.521   0.551  1.00  0.00           C  
HETATM   21  C   UNL     1       1.926  -3.805   1.146  1.00  0.00           C  
HETATM   22  O   UNL     1       0.622   0.965  -0.667  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.455   1.094  -0.280  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.742  -2.870  -0.860  1.00  0.00           C  
HETATM   25  O   UNL     1      -5.131  -1.732   1.236  1.00  0.00           O  
HETATM   26  C   UNL     1      -6.347  -0.961  -0.705  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.262   0.467  -1.452  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.996   3.120  -0.831  1.00  0.00           O  
HETATM   29  H   UNL     1       5.735   0.572  -2.276  1.00  0.00           H  
HETATM   30  H   UNL     1       6.827  -0.026  -0.992  1.00  0.00           H  
HETATM   31  H   UNL     1       1.118  -2.035   2.122  1.00  0.00           H  
HETATM   32  H   UNL     1       0.495  -2.310   0.468  1.00  0.00           H  
HETATM   33  H   UNL     1       2.540  -4.103  -0.921  1.00  0.00           H  
HETATM   34  H   UNL     1       3.829  -4.412   0.279  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.861   0.748   1.336  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.224  -1.212  -2.414  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.178   2.035   2.118  1.00  0.00           H  
HETATM   38  H   UNL     1       1.864   0.899   2.160  1.00  0.00           H  
HETATM   39  H   UNL     1       3.699   2.374  -0.887  1.00  0.00           H  
HETATM   40  H   UNL     1       4.127   2.362   0.850  1.00  0.00           H  
HETATM   41  H   UNL     1       6.378   1.809   0.419  1.00  0.00           H  
HETATM   42  H   UNL     1       6.025   2.616  -1.145  1.00  0.00           H  
HETATM   43  H   UNL     1       5.259  -2.405  -1.160  1.00  0.00           H  
HETATM   44  H   UNL     1       2.390  -4.021   2.108  1.00  0.00           H  
HETATM   45  H   UNL     1       1.140  -4.528   0.923  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.804  -3.276  -0.483  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.552  -3.568  -0.649  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.666  -2.717  -1.937  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.833  -2.343   1.498  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.270  -0.809  -1.781  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.157  -1.659  -0.493  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.552  -0.008  -0.217  1.00  0.00           H  
CONECT    1   18   17   29   30                                       
CONECT    2    4   19   19   20                                       
CONECT    3   21   20   31   32                                       
CONECT    4   21    2   33   34                                       
CONECT    5   23   23    6   35                                       
CONECT    6    5    8    8    7                                       
CONECT    7    6   25   26   24                                       
CONECT    8   27    6    6   36                                       
CONECT    9   10   10                                                 
CONECT   10   11   28   28    9                                       
CONECT   10    9   23                                                 
CONECT   11   12   10   37                                            
CONECT   12   22   22   13   11                                       
CONECT   13   14   12   38                                            
CONECT   14   20   20   15   13                                       
CONECT   15   18   18   14   16                                       
CONECT   16   15   17   39   40                                       
CONECT   17    1   16   41   42                                       
CONECT   18   19   15   15    1                                       
CONECT   19    2    2   18   43                                       
CONECT   20    3    2   14   14                                       
CONECT   21    4    3   44   45                                       
CONECT   22   12   12                                                 
CONECT   23   10    5    5   27                                       
CONECT   24    7   46   47   48                                       
CONECT   25    7   49                                                 
CONECT   26    7   50   51   52                                       
CONECT   27   23    8                                                 
CONECT   28   10   10                                                 
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    8                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
