COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.455  -0.915   1.645  1.00  0.00           C  
HETATM    2  C   UNL     1       0.098  -0.703  -1.044  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.625  -2.377  -2.841  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.986  -0.839  -0.617  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.706  -1.817   0.313  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.705   0.917  -0.283  1.00  0.00           C  
HETATM    7  C   UNL     1       2.580   1.478  -0.609  1.00  0.00           C  
HETATM    8  C   UNL     1       3.536   1.829  -1.475  1.00  0.00           C  
HETATM    9  C   UNL     1       4.807   1.407  -1.144  1.00  0.00           C  
HETATM   10  C   UNL     1       4.887   0.706   0.004  1.00  0.00           C  
HETATM   11  C   UNL     1       6.130   0.145   0.577  1.00  0.00           C  
HETATM   12  C   UNL     1       6.089  -0.567   1.777  1.00  0.00           C  
HETATM   13  C   UNL     1       7.252  -1.087   2.307  1.00  0.00           C  
HETATM   14  C   UNL     1       8.501  -0.215   0.452  1.00  0.00           C  
HETATM   15  C   UNL     1       7.346   0.315  -0.085  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.894  -1.534  -1.816  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.690  -2.616   1.087  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.015   0.057  -1.310  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.854   0.463   0.338  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.485   1.247   1.284  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.966   2.492   1.610  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.813   2.945   0.985  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.186   2.157   0.040  1.00  0.00           C  
HETATM   24  N   UNL     1       0.160   0.643  -1.620  1.00  0.00           N  
HETATM   25  N   UNL     1      -1.798  -2.895  -3.224  1.00  0.00           N  
HETATM   26  N   UNL     1      -2.730  -2.405  -2.486  1.00  0.00           N  
HETATM   27  N   UNL     1      -2.232  -1.588  -1.625  1.00  0.00           N  
HETATM   28  N   UNL     1      -3.096  -3.546   1.974  1.00  0.00           N  
HETATM   29  O   UNL     1       0.323   1.828   0.539  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.140  -4.296   2.701  1.00  0.00           O  
HETATM   31  O   UNL     1      -1.505  -2.421   0.913  1.00  0.00           O  
HETATM   32  O   UNL     1      -6.586   3.265   2.539  1.00  0.00           O  
HETATM   33  O   UNL     1       0.803   3.026  -1.602  1.00  0.00           O  
HETATM   34  S   UNL     1       0.871   1.875  -0.771  1.00  0.00           S  
HETATM   35  S   UNL     1       3.284   0.554   0.711  1.00  0.00           S  
HETATM   36  H   UNL     1       9.362  -1.324   2.064  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.215  -0.638  -0.002  1.00  0.00           H  
HETATM   38  H   UNL     1       1.082  -1.167  -1.099  1.00  0.00           H  
HETATM   39  H   UNL     1       0.344  -2.586  -3.268  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.301  -0.222  -0.035  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.337  -1.262   1.007  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.325  -2.493  -0.279  1.00  0.00           H  
HETATM   43  H   UNL     1       3.329   2.399  -2.368  1.00  0.00           H  
HETATM   44  H   UNL     1       5.670   1.622  -1.757  1.00  0.00           H  
HETATM   45  H   UNL     1       5.149  -0.709   2.290  1.00  0.00           H  
HETATM   46  H   UNL     1       7.223  -1.630   3.240  1.00  0.00           H  
HETATM   47  H   UNL     1       9.443  -0.084  -0.060  1.00  0.00           H  
HETATM   48  H   UNL     1       7.384   0.861  -1.016  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.511   0.693  -2.037  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.752  -0.563  -1.819  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.258  -0.506   0.084  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.383   0.892   1.768  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.407   3.913   1.238  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.288   2.510  -0.446  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.215   0.813  -2.498  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.043  -3.702   2.113  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.527  -4.939   3.312  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.276   3.119   3.444  1.00  0.00           H  
CONECT    1   14   13   13   36                                       
CONECT    2   16   24   37   38                                       
CONECT    3   25   16   16   39                                       
CONECT    4    5   27   18   40                                       
CONECT    5   17    4   41   42                                       
CONECT    6   18   23   23   19                                       
CONECT    7   35   34    8    8                                       
CONECT    8    7    7    9   43                                       
CONECT    9   10   10    8   44                                       
CONECT   10   35   11    9    9                                       
CONECT   11   15   10   12   12                                       
CONECT   12   11   11   13   45                                       
CONECT   13    1    1   12   46                                       
CONECT   14   15   15    1   47                                       
CONECT   15   14   14   11   48                                       
CONECT   16    3    3   27    2                                       
CONECT   17   28   31   31    5                                       
CONECT   18    4    6   49   50                                       
CONECT   19    6   20   20   51                                       
CONECT   20   19   19   21   52                                       
CONECT   21   22   22   20   32                                       
CONECT   22   23   21   21   53                                       
CONECT   23    6    6   22   54                                       
CONECT   24    2   34   55                                            
CONECT   25    3   26   26                                            
CONECT   26   25   25   27                                            
CONECT   27   26   16    4                                            
CONECT   28   30   17   56                                            
CONECT   29   34   34                                                 
CONECT   30   28   57                                                 
CONECT   31   17   17                                                 
CONECT   32   21   58                                                 
CONECT   33   34   34                                                 
CONECT   34   24    7   29   29                                       
CONECT   34   33   33                                                 
CONECT   35    7   10                                                 
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   28                                                      
CONECT   57   30                                                      
CONECT   58   32                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
