COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.772  -0.229   2.980  1.00  0.00           O  
HETATM    2  C   UNL     1       2.369  -1.245   2.060  1.00  0.00           C  
HETATM    3  C   UNL     1       2.014  -0.639   0.679  1.00  0.00           C  
HETATM    4  O   UNL     1       1.092  -1.568   0.088  1.00  0.00           O  
HETATM    5  C   UNL     1       0.430  -2.320   1.112  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.075  -2.046   1.067  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.631  -2.580  -0.178  1.00  0.00           N  
HETATM    8  S   UNL     1      -3.269  -2.766  -0.341  1.00  0.00           S  
HETATM    9  O   UNL     1      -3.473  -3.243  -1.663  1.00  0.00           O  
HETATM   10  O   UNL     1      -3.703  -3.417   0.845  1.00  0.00           O  
HETATM   11  N   UNL     1      -3.944  -1.254  -0.298  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.675  -0.368  -1.277  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.938  -0.677  -2.189  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.290   1.007  -1.238  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.255   1.598  -2.583  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.500   1.892  -0.272  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.196   3.248  -0.137  1.00  0.00           C  
HETATM   18  S   UNL     1      -3.260   4.297   1.009  1.00  0.00           S  
HETATM   19  C   UNL     1      -4.285   5.793   0.975  1.00  0.00           C  
HETATM   20  C   UNL     1       1.005  -1.863   2.471  1.00  0.00           C  
HETATM   21  O   UNL     1       0.163  -0.879   3.075  1.00  0.00           O  
HETATM   22  N   UNL     1       3.217  -0.521  -0.149  1.00  0.00           N  
HETATM   23  C   UNL     1       3.682  -1.449  -1.034  1.00  0.00           C  
HETATM   24  N   UNL     1       4.773  -1.018  -1.597  1.00  0.00           N  
HETATM   25  C   UNL     1       5.077   0.210  -1.112  1.00  0.00           C  
HETATM   26  C   UNL     1       6.108   1.136  -1.343  1.00  0.00           C  
HETATM   27  N   UNL     1       6.093   2.281  -0.668  1.00  0.00           N  
HETATM   28  C   UNL     1       5.136   2.550   0.202  1.00  0.00           C  
HETATM   29  N   UNL     1       4.152   1.713   0.450  1.00  0.00           N  
HETATM   30  C   UNL     1       4.079   0.545  -0.181  1.00  0.00           C  
HETATM   31  N   UNL     1       7.114   0.863  -2.252  1.00  0.00           N  
HETATM   32  H   UNL     1       2.978  -0.673   3.814  1.00  0.00           H  
HETATM   33  H   UNL     1       3.137  -2.014   1.966  1.00  0.00           H  
HETATM   34  H   UNL     1       1.543   0.335   0.803  1.00  0.00           H  
HETATM   35  H   UNL     1       0.617  -3.384   0.969  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.250  -0.971   1.112  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.557  -2.528   1.917  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.040  -2.826  -0.907  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.534  -1.007   0.431  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.324   0.933  -0.901  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.284   1.646  -2.853  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.695   0.934  -3.203  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.491   2.039  -0.656  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.451   1.410   0.705  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.206   3.102   0.247  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.245   3.730  -1.114  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.331   6.180  -0.043  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.291   5.552   1.318  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.849   6.547   1.631  1.00  0.00           H  
HETATM   50  H   UNL     1       1.149  -2.714   3.137  1.00  0.00           H  
HETATM   51  H   UNL     1       0.619  -0.570   3.869  1.00  0.00           H  
HETATM   52  H   UNL     1       3.214  -2.401  -1.237  1.00  0.00           H  
HETATM   53  H   UNL     1       5.163   3.492   0.729  1.00  0.00           H  
HETATM   54  H   UNL     1       7.114   0.024  -2.739  1.00  0.00           H  
HETATM   55  H   UNL     1       7.820   1.511  -2.403  1.00  0.00           H  
CONECT    1    2   32                                                 
CONECT    2    1    3   20   33                                       
CONECT    3    2    4   22   34                                       
CONECT    4    3    5                                                 
CONECT    5    4    6   20   35                                       
CONECT    6    5    7   36   37                                       
CONECT    7    6    8   38                                            
CONECT    8    7    9    9   10                                       
CONECT    8   10   11                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    8   12   39                                            
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   16   40                                       
CONECT   15   14   41   42                                            
CONECT   16   14   17   43   44                                       
CONECT   17   16   18   45   46                                       
CONECT   18   17   19                                                 
CONECT   19   18   47   48   49                                       
CONECT   20    2    5   21   50                                       
CONECT   21   20   51                                                 
CONECT   22    3   23   30                                            
CONECT   23   22   24   24   52                                       
CONECT   24   23   23   25                                            
CONECT   25   24   26   26   30                                       
CONECT   26   25   25   27   31                                       
CONECT   27   26   28   28                                            
CONECT   28   27   27   29   53                                       
CONECT   29   28   30   30                                            
CONECT   30   22   25   29   29                                       
CONECT   31   26   54   55                                            
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39   11                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   23                                                      
CONECT   53   28                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
