COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.960   0.286   0.155  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.643   1.448  -0.536  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.072  -0.230   1.089  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.873   0.413   1.330  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.557   1.575   0.639  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.178  -2.727   0.547  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.446   2.091  -0.296  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.696  -1.326   0.880  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.610   2.005  -1.549  1.00  0.00           C  
HETATM   10  C   UNL     1       5.907  -0.334  -1.061  1.00  0.00           C  
HETATM   11  C   UNL     1       5.856  -1.683  -0.764  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.340   0.855  -2.245  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.866  -0.113  -1.220  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.724  -3.729   1.566  1.00  0.00           C  
HETATM   15  C   UNL     1       2.285   0.660  -0.675  1.00  0.00           C  
HETATM   16  C   UNL     1       3.544  -0.167  -0.708  1.00  0.00           C  
HETATM   17  C   UNL     1       3.494  -1.515  -0.405  1.00  0.00           C  
HETATM   18  C   UNL     1       4.751   0.424  -1.031  1.00  0.00           C  
HETATM   19  C   UNL     1       4.650  -2.274  -0.436  1.00  0.00           C  
HETATM   20  N   UNL     1       0.657   2.226   0.883  1.00  0.00           N  
HETATM   21  N   UNL     1      -4.174  -0.367  -0.096  1.00  0.00           N  
HETATM   22  O   UNL     1       1.762   0.322   1.919  1.00  0.00           O  
HETATM   23  O   UNL     1      -5.922  -0.677  -1.413  1.00  0.00           O  
HETATM   24  O   UNL     1       3.059   2.323   1.262  1.00  0.00           O  
HETATM   25  S   UNL     1       2.059   1.351   0.987  1.00  0.00           S  
HETATM   26  C   UNL     1       7.115  -2.510  -0.797  1.00  0.00           C  
HETATM   27  H   UNL     1      -2.318  -1.133   1.627  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.182   0.012   2.056  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.509  -3.008  -0.453  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.089  -2.729   0.583  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.201   2.995  -0.833  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.786  -1.324   0.844  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.366  -1.045   1.879  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.336   2.644  -1.046  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.064   2.589  -2.290  1.00  0.00           H  
HETATM   36  H   UNL     1       6.850   0.128  -1.312  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.171   1.254  -2.827  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.649   0.337  -2.909  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.355  -4.726   1.328  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.393  -3.447   2.565  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.814  -3.726   1.530  1.00  0.00           H  
HETATM   42  H   UNL     1       2.364   1.471  -1.399  1.00  0.00           H  
HETATM   43  H   UNL     1       1.431   0.031  -0.926  1.00  0.00           H  
HETATM   44  H   UNL     1       2.553  -1.975  -0.145  1.00  0.00           H  
HETATM   45  H   UNL     1       4.792   1.479  -1.259  1.00  0.00           H  
HETATM   46  H   UNL     1       4.610  -3.328  -0.205  1.00  0.00           H  
HETATM   47  H   UNL     1       0.677   3.190   0.992  1.00  0.00           H  
HETATM   48  H   UNL     1       7.584  -2.498   0.187  1.00  0.00           H  
HETATM   49  H   UNL     1       6.869  -3.536  -1.069  1.00  0.00           H  
HETATM   50  H   UNL     1       7.804  -2.094  -1.533  1.00  0.00           H  
CONECT    1   21    3    3    2                                       
CONECT    2    1    9    7    7                                       
CONECT    3    1    1    4   27                                       
CONECT    4    3    5    5   28                                       
CONECT    5    4    4    7   20                                       
CONECT    6   14    8   29   30                                       
CONECT    7    2    2    5   31                                       
CONECT    8    6   21   32   33                                       
CONECT    9   12    2   34   35                                       
CONECT   10   11   11   18   36                                       
CONECT   11   26   10   10   19                                       
CONECT   12   13    9   37   38                                       
CONECT   13   23   23   21   12                                       
CONECT   14    6   39   40   41                                       
CONECT   15   25   16   42   43                                       
CONECT   16   18   18   17   15                                       
CONECT   17   19   19   16   44                                       
CONECT   18   10   16   16   45                                       
CONECT   19   11   17   17   46                                       
CONECT   20    5   25   47                                            
CONECT   21    8   13    1                                            
CONECT   22   25   25                                                 
CONECT   23   13   13                                                 
CONECT   24   25   25                                                 
CONECT   25   20   24   24   22                                       
CONECT   25   22   15                                                 
CONECT   26   11   48   49   50                                       
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
