COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.225  -0.410  -0.557  1.00  0.00           C  
HETATM    2  N   UNL     1      -6.317  -2.184  -0.426  1.00  0.00           N  
HETATM    3  O   UNL     1       2.833  -0.343  -1.702  1.00  0.00           O  
HETATM    4  S   UNL     1       3.190   2.196  -0.555  1.00  0.00           S  
HETATM    5  C   UNL     1      -6.366  -0.867  -0.497  1.00  0.00           C  
HETATM    6  N   UNL     1       3.449   0.718   0.146  1.00  0.00           N  
HETATM    7  O   UNL     1      -3.740   2.310   1.596  1.00  0.00           O  
HETATM    8  N   UNL     1      -5.289  -0.114  -0.414  1.00  0.00           N  
HETATM    9  O   UNL     1      -2.122   4.232   0.919  1.00  0.00           O  
HETATM   10  C   UNL     1      -4.090  -0.664  -0.252  1.00  0.00           C  
HETATM   11  N   UNL     1       2.711  -2.783  -0.656  1.00  0.00           N  
HETATM   12  O   UNL     1      -1.028   1.356  -0.557  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.985  -2.062  -0.170  1.00  0.00           C  
HETATM   14  O   UNL     1       1.699   2.304  -0.841  1.00  0.00           O  
HETATM   15  C   UNL     1      -5.163  -2.823  -0.264  1.00  0.00           C  
HETATM   16  N   UNL     1      -5.122  -4.204  -0.189  1.00  0.00           N  
HETATM   17  C   UNL     1       5.196  -3.396   0.802  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.672  -2.355  -0.009  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.981  -1.253   0.012  1.00  0.00           C  
HETATM   20  C   UNL     1       4.949  -2.085   0.053  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.811  -0.181  -0.134  1.00  0.00           N  
HETATM   22  C   UNL     1       3.455  -1.754   0.084  1.00  0.00           C  
HETATM   23  C   UNL     1       6.663  -3.802   0.647  1.00  0.00           C  
HETATM   24  C   UNL     1       4.873  -3.206   2.285  1.00  0.00           C  
HETATM   25  O   UNL     1       3.479   3.169   0.440  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.410   1.228  -0.161  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.434   1.830   1.267  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.430   3.001   1.142  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.572   2.635  -0.084  1.00  0.00           C  
HETATM   30  C   UNL     1       0.901   2.545   0.320  1.00  0.00           C  
HETATM   31  O   UNL     1       3.839   2.160  -1.819  1.00  0.00           O  
HETATM   32  H   UNL     1      -7.325  -0.389  -0.629  1.00  0.00           H  
HETATM   33  H   UNL     1       3.763   0.665   1.062  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.806   2.695   2.480  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.722   4.481   1.635  1.00  0.00           H  
HETATM   36  H   UNL     1       1.717  -2.622  -0.596  1.00  0.00           H  
HETATM   37  H   UNL     1       3.013  -2.826  -1.618  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.942  -4.718  -0.255  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.273  -4.658  -0.071  1.00  0.00           H  
HETATM   40  H   UNL     1       4.558  -4.177   0.388  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.909  -1.195   0.130  1.00  0.00           H  
HETATM   42  H   UNL     1       5.509  -1.282   0.533  1.00  0.00           H  
HETATM   43  H   UNL     1       5.277  -2.189  -0.981  1.00  0.00           H  
HETATM   44  H   UNL     1       3.110  -1.729   1.117  1.00  0.00           H  
HETATM   45  H   UNL     1       7.302  -3.018   1.054  1.00  0.00           H  
HETATM   46  H   UNL     1       6.842  -4.732   1.188  1.00  0.00           H  
HETATM   47  H   UNL     1       6.892  -3.946  -0.409  1.00  0.00           H  
HETATM   48  H   UNL     1       3.828  -2.916   2.395  1.00  0.00           H  
HETATM   49  H   UNL     1       5.049  -4.140   2.818  1.00  0.00           H  
HETATM   50  H   UNL     1       5.511  -2.425   2.699  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.056   1.797  -0.831  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.093   1.101   2.002  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.811   3.070   2.037  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.700   3.385  -0.864  1.00  0.00           H  
HETATM   55  H   UNL     1       1.034   1.729   1.029  1.00  0.00           H  
HETATM   56  H   UNL     1       1.208   3.483   0.783  1.00  0.00           H  
CONECT    1    3    3    6   22                                       
CONECT    2    5    5   15                                            
CONECT    3    1    1                                                 
CONECT    4    6   14   25   25                                       
CONECT    4   31   31                                                 
CONECT    5    2    2    8   32                                       
CONECT    6    1    4   33                                            
CONECT    7   27   34                                                 
CONECT    8    5   10   10                                            
CONECT    9   28   35                                                 
CONECT   10    8    8   13   21                                       
CONECT   11   22   36   37                                            
CONECT   12   26   29                                                 
CONECT   13   10   15   15   18                                       
CONECT   14    4   30                                                 
CONECT   15    2   13   13   16                                       
CONECT   16   15   38   39                                            
CONECT   17   20   23   24   40                                       
CONECT   18   13   19   19                                            
CONECT   19   18   18   21   41                                       
CONECT   20   17   22   42   43                                       
CONECT   21   10   19   26                                            
CONECT   22    1   11   20   44                                       
CONECT   23   17   45   46   47                                       
CONECT   24   17   48   49   50                                       
CONECT   25    4    4                                                 
CONECT   26   12   21   27   51                                       
CONECT   27    7   26   28   52                                       
CONECT   28    9   27   29   53                                       
CONECT   29   12   28   30   54                                       
CONECT   30   14   29   55   56                                       
CONECT   31    4    4                                                 
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
