COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.782   1.430   3.296  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.977   0.429   2.156  1.00  0.00           C  
HETATM    3  N   UNL     1      -8.710   0.246   1.444  1.00  0.00           N  
HETATM    4  C   UNL     1      -8.642  -0.597   0.395  1.00  0.00           C  
HETATM    5  O   UNL     1      -9.633  -1.206   0.039  1.00  0.00           O  
HETATM    6  C   UNL     1      -7.369  -0.780  -0.320  1.00  0.00           C  
HETATM    7  S   UNL     1      -5.859   0.027   0.077  1.00  0.00           S  
HETATM    8  C   UNL     1      -7.180  -1.609  -1.390  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.907  -1.615  -1.892  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.032  -0.793  -1.240  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.611  -0.623  -1.586  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.134  -1.242  -2.518  1.00  0.00           O  
HETATM   13  N   UNL     1      -2.840   0.218  -0.870  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.426   0.388  -1.214  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.784   1.390  -0.253  1.00  0.00           C  
HETATM   16  C   UNL     1       0.693   1.568  -0.613  1.00  0.00           C  
HETATM   17  C   UNL     1       1.306   2.661   0.266  1.00  0.00           C  
HETATM   18  C   UNL     1       2.797   2.792  -0.056  1.00  0.00           C  
HETATM   19  C   UNL     1       1.439   0.252  -0.373  1.00  0.00           C  
HETATM   20  C   UNL     1       2.926   0.453  -0.676  1.00  0.00           C  
HETATM   21  N   UNL     1       3.466   1.508   0.191  1.00  0.00           N  
HETATM   22  C   UNL     1       4.837   1.625   0.035  1.00  0.00           C  
HETATM   23  N   UNL     1       5.381   2.789  -0.290  1.00  0.00           N  
HETATM   24  C   UNL     1       6.689   2.907  -0.440  1.00  0.00           C  
HETATM   25  N   UNL     1       7.511   1.901  -0.281  1.00  0.00           N  
HETATM   26  C   UNL     1       7.055   0.670   0.052  1.00  0.00           C  
HETATM   27  C   UNL     1       7.767  -0.517   0.265  1.00  0.00           C  
HETATM   28  C   UNL     1       5.677   0.511   0.224  1.00  0.00           C  
HETATM   29  S   UNL     1       5.324  -1.155   0.659  1.00  0.00           S  
HETATM   30  C   UNL     1       7.025  -1.585   0.586  1.00  0.00           C  
HETATM   31  C   UNL     1       7.562  -2.930   0.852  1.00  0.00           C  
HETATM   32  O   UNL     1       8.759  -3.133   0.776  1.00  0.00           O  
HETATM   33  N   UNL     1       6.727  -3.937   1.179  1.00  0.00           N  
HETATM   34  H   UNL     1     -10.725   1.566   3.826  1.00  0.00           H  
HETATM   35  H   UNL     1      -9.028   1.052   3.987  1.00  0.00           H  
HETATM   36  H   UNL     1      -9.454   2.386   2.888  1.00  0.00           H  
HETATM   37  H   UNL     1     -10.306  -0.527   2.564  1.00  0.00           H  
HETATM   38  H   UNL     1     -10.731   0.807   1.465  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.920   0.732   1.728  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.973  -2.211  -1.808  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.617  -2.223  -2.736  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.220   0.712  -0.126  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.914  -0.571  -1.134  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.343   0.759  -2.236  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.295   2.350  -0.334  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.867   1.019   0.768  1.00  0.00           H  
HETATM   47  H   UNL     1       0.781   1.851  -1.662  1.00  0.00           H  
HETATM   48  H   UNL     1       0.807   3.610   0.068  1.00  0.00           H  
HETATM   49  H   UNL     1       1.182   2.396   1.316  1.00  0.00           H  
HETATM   50  H   UNL     1       2.919   3.070  -1.102  1.00  0.00           H  
HETATM   51  H   UNL     1       3.239   3.560   0.578  1.00  0.00           H  
HETATM   52  H   UNL     1       1.318  -0.051   0.667  1.00  0.00           H  
HETATM   53  H   UNL     1       1.036  -0.520  -1.027  1.00  0.00           H  
HETATM   54  H   UNL     1       3.463  -0.478  -0.493  1.00  0.00           H  
HETATM   55  H   UNL     1       3.048   0.742  -1.720  1.00  0.00           H  
HETATM   56  H   UNL     1       7.096   3.871  -0.706  1.00  0.00           H  
HETATM   57  H   UNL     1       8.842  -0.568   0.176  1.00  0.00           H  
HETATM   58  H   UNL     1       5.773  -3.775   1.239  1.00  0.00           H  
HETATM   59  H   UNL     1       7.081  -4.823   1.354  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    3    1   37   38                                       
CONECT    3    2    4   39                                            
CONECT    4    3    6    5    5                                       
CONECT    5    4    4                                                 
CONECT    6    8    8    4    7                                       
CONECT    7    6   10                                                 
CONECT    8    9    6    6   40                                       
CONECT    9    8   10   10   41                                       
CONECT   10    9    9    7   11                                       
CONECT   11   10   13   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   14   11   42                                            
CONECT   14   13   15   43   44                                       
CONECT   15   14   16   45   46                                       
CONECT   16   15   17   19   47                                       
CONECT   17   16   18   48   49                                       
CONECT   18   17   21   50   51                                       
CONECT   19   16   20   52   53                                       
CONECT   20   19   21   54   55                                       
CONECT   21   18   20   22                                            
CONECT   22   21   28   28   23                                       
CONECT   23   22   24   24                                            
CONECT   24   23   23   25   56                                       
CONECT   25   26   26   24                                            
CONECT   26   28   27   25   25                                       
CONECT   27   30   30   26   57                                       
CONECT   28   29   22   22   26                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   27   27                                       
CONECT   31   32   32   30   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   58   59                                            
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   24                                                      
CONECT   57   27                                                      
CONECT   58   33                                                      
CONECT   59   33                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
