COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -7.951  -1.507   1.184  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.104  -2.298   0.588  1.00  0.00           C  
HETATM    3  N   UNL     1      -7.379  -3.643   0.477  1.00  0.00           N  
HETATM    4  C   UNL     1      -5.846  -1.751   0.031  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.941  -2.595  -0.613  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.768  -2.086  -1.133  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.483  -0.739  -1.020  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.380   0.115  -0.380  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.567  -0.391   0.142  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.073   1.561  -0.259  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.747   2.184  -0.065  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.433   1.530   0.054  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.349   0.318  -0.006  1.00  0.00           O  
HETATM   14  N   UNL     1      -0.323   2.274   0.230  1.00  0.00           N  
HETATM   15  C   UNL     1       0.908   1.651   0.454  1.00  0.00           C  
HETATM   16  C   UNL     1       2.077   2.231  -0.025  1.00  0.00           C  
HETATM   17  C   UNL     1       3.292   1.618   0.195  1.00  0.00           C  
HETATM   18  C   UNL     1       3.348   0.416   0.898  1.00  0.00           C  
HETATM   19  C   UNL     1       2.174  -0.164   1.378  1.00  0.00           C  
HETATM   20  C   UNL     1       0.962   0.456   1.161  1.00  0.00           C  
HETATM   21  C   UNL     1       4.654  -0.245   1.135  1.00  0.00           C  
HETATM   22  C   UNL     1       5.148  -0.372   2.432  1.00  0.00           C  
HETATM   23  C   UNL     1       6.364  -0.989   2.647  1.00  0.00           C  
HETATM   24  C   UNL     1       7.092  -1.481   1.579  1.00  0.00           C  
HETATM   25  C   UNL     1       6.606  -1.357   0.289  1.00  0.00           C  
HETATM   26  C   UNL     1       5.389  -0.748   0.063  1.00  0.00           C  
HETATM   27  S   UNL     1       4.768  -0.598  -1.579  1.00  0.00           S  
HETATM   28  O   UNL     1       4.425   0.769  -1.756  1.00  0.00           O  
HETATM   29  O   UNL     1       5.687  -1.284  -2.420  1.00  0.00           O  
HETATM   30  N   UNL     1       3.349  -1.449  -1.646  1.00  0.00           N  
HETATM   31  N   UNL     1      -4.916   2.561  -0.308  1.00  0.00           N  
HETATM   32  O   UNL     1      -4.365   3.626  -0.180  1.00  0.00           O  
HETATM   33  C   UNL     1      -3.043   3.524  -0.024  1.00  0.00           C  
HETATM   34  H   UNL     1      -7.757  -0.560   1.262  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.203  -4.002   0.842  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.749  -4.232   0.033  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.158  -3.649  -0.704  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.070  -2.743  -1.630  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.563  -0.347  -1.428  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.266   0.268   0.636  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.378   3.242   0.201  1.00  0.00           H  
HETATM   42  H   UNL     1       2.033   3.162  -0.571  1.00  0.00           H  
HETATM   43  H   UNL     1       4.200   2.069  -0.178  1.00  0.00           H  
HETATM   44  H   UNL     1       2.216  -1.095   1.923  1.00  0.00           H  
HETATM   45  H   UNL     1       0.053   0.009   1.536  1.00  0.00           H  
HETATM   46  H   UNL     1       4.581   0.012   3.267  1.00  0.00           H  
HETATM   47  H   UNL     1       6.749  -1.088   3.652  1.00  0.00           H  
HETATM   48  H   UNL     1       8.043  -1.963   1.751  1.00  0.00           H  
HETATM   49  H   UNL     1       7.178  -1.743  -0.542  1.00  0.00           H  
HETATM   50  H   UNL     1       3.020  -1.906  -0.857  1.00  0.00           H  
HETATM   51  H   UNL     1       2.846  -1.489  -2.475  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.343   4.336   0.106  1.00  0.00           H  
CONECT    1    2    2   34                                            
CONECT    2    1    1    3    4                                       
CONECT    3    2   35   36                                            
CONECT    4    2    5    5    9                                       
CONECT    5    4    4    6   37                                       
CONECT    6    5    7    7   38                                       
CONECT    7    6    6    8   39                                       
CONECT    8    7    9    9   10                                       
CONECT    9    4    8    8   40                                       
CONECT   10    8   31   31   11                                       
CONECT   11   10   33   33   12                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   41                                            
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   42                                       
CONECT   17   16   18   18   43                                       
CONECT   18   17   17   19   21                                       
CONECT   19   18   20   20   44                                       
CONECT   20   15   19   19   45                                       
CONECT   21   18   22   22   26                                       
CONECT   22   21   21   23   46                                       
CONECT   23   22   24   24   47                                       
CONECT   24   23   23   25   48                                       
CONECT   25   24   26   26   49                                       
CONECT   26   21   25   25   27                                       
CONECT   27   26   28   28   30                                       
CONECT   27   29   29                                                 
CONECT   28   27   27                                                 
CONECT   29   27   27                                                 
CONECT   30   27   50   51                                            
CONECT   31   10   10   32                                            
CONECT   32   31   33                                                 
CONECT   33   11   11   32   52                                       
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    9                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
CONECT   52   33                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
