COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.243  -0.671   0.416  1.00  0.00           C  
HETATM    2  C   UNL     1       3.788  -2.929   0.500  1.00  0.00           C  
HETATM    3  C   UNL     1       4.283  -4.334   0.726  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.606  -1.992  -0.123  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.739  -2.055   0.711  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.409   0.234  -0.327  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.313   1.577  -0.008  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.091   2.126   0.339  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.630   1.937   0.747  1.00  0.00           C  
HETATM   10  C   UNL     1       5.242   0.441   0.550  1.00  0.00           C  
HETATM   11  C   UNL     1       6.382   3.281   0.577  1.00  0.00           C  
HETATM   12  O   UNL     1       5.710   2.613  -0.493  1.00  0.00           O  
HETATM   13  C   UNL     1       4.780   1.681  -0.151  1.00  0.00           C  
HETATM   14  C   UNL     1       3.530   1.914  -0.452  1.00  0.00           C  
HETATM   15  O   UNL     1       3.226   3.076  -1.090  1.00  0.00           O  
HETATM   16  C   UNL     1       2.423   4.017  -0.375  1.00  0.00           C  
HETATM   17  C   UNL     1       2.416   0.966  -0.130  1.00  0.00           C  
HETATM   18  C   UNL     1       2.927  -0.424   0.106  1.00  0.00           C  
HETATM   19  N   UNL     1       4.636  -1.927   0.608  1.00  0.00           N  
HETATM   20  N   UNL     1       2.517  -2.736   0.211  1.00  0.00           N  
HETATM   21  C   UNL     1       2.051  -1.509  -0.001  1.00  0.00           C  
HETATM   22  N   UNL     1       0.715  -1.307  -0.305  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.197  -2.450  -0.396  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.120  -3.053  -1.800  1.00  0.00           C  
HETATM   25  S   UNL     1      -2.312  -0.490  -0.704  1.00  0.00           S  
HETATM   26  C   UNL     1      -2.510  -2.668   0.592  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.841  -0.870   0.077  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.050  -0.018   0.048  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.285  -0.566  -0.301  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.960   1.337   0.368  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.798   3.328   1.029  1.00  0.00           O  
HETATM   32  H   UNL     1       4.178  -4.591   1.780  1.00  0.00           H  
HETATM   33  H   UNL     1       3.696  -5.027   0.123  1.00  0.00           H  
HETATM   34  H   UNL     1       5.332  -4.401   0.438  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.558  -2.493   1.262  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.366  -0.190  -0.592  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.195   2.199  -0.030  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.023   3.175   0.587  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.242   1.431   1.631  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.929   1.816  -0.079  1.00  0.00           H  
HETATM   41  H   UNL     1       5.389   0.663   1.607  1.00  0.00           H  
HETATM   42  H   UNL     1       6.191   0.122   0.118  1.00  0.00           H  
HETATM   43  H   UNL     1       6.840   2.543   1.235  1.00  0.00           H  
HETATM   44  H   UNL     1       7.155   3.933   0.169  1.00  0.00           H  
HETATM   45  H   UNL     1       5.665   3.876   1.141  1.00  0.00           H  
HETATM   46  H   UNL     1       2.893   4.243   0.582  1.00  0.00           H  
HETATM   47  H   UNL     1       2.329   4.932  -0.959  1.00  0.00           H  
HETATM   48  H   UNL     1       1.433   3.593  -0.202  1.00  0.00           H  
HETATM   49  H   UNL     1       1.910   1.317   0.769  1.00  0.00           H  
HETATM   50  H   UNL     1       1.704   0.950  -0.955  1.00  0.00           H  
HETATM   51  H   UNL     1       0.383  -0.408  -0.458  1.00  0.00           H  
HETATM   52  H   UNL     1       0.089  -3.203   0.339  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.406  -2.301  -2.535  1.00  0.00           H  
HETATM   54  H   UNL     1       0.900  -3.385  -1.998  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.798  -3.904  -1.868  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.293  -3.625   1.043  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.361  -1.615  -0.550  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.981   3.780   1.280  1.00  0.00           H  
CONECT    1   18   18   19   10                                       
CONECT    2   20    3   19   19                                       
CONECT    3    2   32   33   34                                       
CONECT    4   23   25   26   26                                       
CONECT    5   27   27   26   35                                       
CONECT    6   29   29    7   36                                       
CONECT    7    6    8    8   37                                       
CONECT    8    7    7   30   38                                       
CONECT    9   30   31   39   40                                       
CONECT   10    1   13   41   42                                       
CONECT   11   12   43   44   45                                       
CONECT   12   13   11                                                 
CONECT   13   14   14   10   12                                       
CONECT   14   17   15   13   13                                       
CONECT   15   16   14                                                 
CONECT   16   15   46   47   48                                       
CONECT   17   18   14   49   50                                       
CONECT   18   21   17    1    1                                       
CONECT   19    2    2    1                                            
CONECT   20   21   21    2                                            
CONECT   21   22   20   20   18                                       
CONECT   22   23   21   51                                            
CONECT   23   24    4   22   52                                       
CONECT   24   23   53   54   55                                       
CONECT   25    4   27                                                 
CONECT   26    4    4    5   56                                       
CONECT   27   25   28    5    5                                       
CONECT   28   29   27   30   30                                       
CONECT   29    6    6   28   57                                       
CONECT   30   28   28    8    9                                       
CONECT   31    9   58                                                 
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   26                                                      
CONECT   57   29                                                      
CONECT   58   31                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
