COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.761  -1.465   0.911  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.867  -0.959   1.840  1.00  0.00           C  
HETATM    3  N   UNL     1      -9.125  -1.651   1.523  1.00  0.00           N  
HETATM    4  C   UNL     1     -10.195  -1.247   2.445  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.515  -1.414   0.126  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.410  -1.921  -0.803  1.00  0.00           C  
HETATM    7  N   UNL     1      -7.152  -1.229  -0.486  1.00  0.00           N  
HETATM    8  C   UNL     1      -6.082  -1.633  -1.408  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.888  -0.735  -1.216  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.910  -1.075  -0.298  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.814  -0.257  -0.117  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.771   0.424  -1.963  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.680   1.251  -1.793  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.693   0.916  -0.864  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.521   1.798  -0.676  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.416   2.817  -1.331  1.00  0.00           O  
HETATM   17  N   UNL     1      -0.570   1.472   0.222  1.00  0.00           N  
HETATM   18  C   UNL     1       0.585   2.253   0.331  1.00  0.00           C  
HETATM   19  C   UNL     1       1.806   1.652   0.603  1.00  0.00           C  
HETATM   20  C   UNL     1       0.513   3.630   0.160  1.00  0.00           C  
HETATM   21  C   UNL     1       1.653   4.402   0.268  1.00  0.00           C  
HETATM   22  C   UNL     1       2.870   3.808   0.544  1.00  0.00           C  
HETATM   23  C   UNL     1       4.111   4.654   0.661  1.00  0.00           C  
HETATM   24  C   UNL     1       2.950   2.431   0.710  1.00  0.00           C  
HETATM   25  N   UNL     1       4.182   1.830   0.984  1.00  0.00           N  
HETATM   26  C   UNL     1       4.535   0.651   0.347  1.00  0.00           C  
HETATM   27  N   UNL     1       5.595  -0.052   0.604  1.00  0.00           N  
HETATM   28  S   UNL     1       3.611  -0.130  -0.932  1.00  0.00           S  
HETATM   29  C   UNL     1       4.809  -1.419  -1.016  1.00  0.00           C  
HETATM   30  C   UNL     1       5.770  -1.161  -0.112  1.00  0.00           C  
HETATM   31  C   UNL     1       6.939  -2.053   0.080  1.00  0.00           C  
HETATM   32  C   UNL     1       7.917  -1.748   1.031  1.00  0.00           C  
HETATM   33  C   UNL     1       8.988  -2.613   1.172  1.00  0.00           C  
HETATM   34  C   UNL     1       9.057  -3.741   0.374  1.00  0.00           C  
HETATM   35  N   UNL     1       8.119  -4.002  -0.516  1.00  0.00           N  
HETATM   36  C   UNL     1       7.078  -3.213  -0.681  1.00  0.00           C  
HETATM   37  H   UNL     1      -5.835  -0.933   1.124  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.612  -2.533   1.071  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.593  -1.160   2.875  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.997   0.114   1.699  1.00  0.00           H  
HETATM   41  H   UNL     1     -10.357  -0.172   2.364  1.00  0.00           H  
HETATM   42  H   UNL     1     -11.114  -1.773   2.188  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.907  -1.494   3.467  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.442  -1.947  -0.087  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.665  -0.347  -0.034  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.279  -2.994  -0.662  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.684  -1.720  -1.838  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.797  -2.665  -1.203  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.437  -1.551  -2.435  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.006  -1.983   0.279  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.052  -0.523   0.600  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.535   0.682  -2.681  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.589   2.155  -2.377  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.687   0.697   0.792  1.00  0.00           H  
HETATM   55  H   UNL     1       1.865   0.582   0.731  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.436   4.098  -0.056  1.00  0.00           H  
HETATM   57  H   UNL     1       1.594   5.472   0.135  1.00  0.00           H  
HETATM   58  H   UNL     1       4.238   4.973   1.695  1.00  0.00           H  
HETATM   59  H   UNL     1       4.979   4.071   0.352  1.00  0.00           H  
HETATM   60  H   UNL     1       4.016   5.530   0.019  1.00  0.00           H  
HETATM   61  H   UNL     1       4.790   2.238   1.621  1.00  0.00           H  
HETATM   62  H   UNL     1       4.779  -2.269  -1.682  1.00  0.00           H  
HETATM   63  H   UNL     1       7.838  -0.860   1.641  1.00  0.00           H  
HETATM   64  H   UNL     1       9.763  -2.409   1.897  1.00  0.00           H  
HETATM   65  H   UNL     1       9.892  -4.417   0.481  1.00  0.00           H  
HETATM   66  H   UNL     1       6.331  -3.460  -1.421  1.00  0.00           H  
CONECT    1    7    2   37   38                                       
CONECT    2    3    1   39   40                                       
CONECT    3    5    4    2                                            
CONECT    4    3   41   42   43                                       
CONECT    5    6    3   44   45                                       
CONECT    6    5    7   46   47                                       
CONECT    7    6    8    1                                            
CONECT    8    7    9   48   49                                       
CONECT    9    8   12   12   10                                       
CONECT   10    9   11   11   50                                       
CONECT   11   10   10   14   51                                       
CONECT   12    9    9   13   52                                       
CONECT   13   12   14   14   53                                       
CONECT   14   13   13   11   15                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   54                                            
CONECT   18   17   19   19   20                                       
CONECT   19   18   18   24   55                                       
CONECT   20   18   21   21   56                                       
CONECT   21   20   20   22   57                                       
CONECT   22   24   24   21   23                                       
CONECT   23   22   58   59   60                                       
CONECT   24   19   25   22   22                                       
CONECT   25   26   24   61                                            
CONECT   26   28   27   27   25                                       
CONECT   27   30   26   26                                            
CONECT   28   29   26                                                 
CONECT   29   28   30   30   62                                       
CONECT   30   29   29   31   27                                       
CONECT   31   36   30   32   32                                       
CONECT   32   31   31   33   63                                       
CONECT   33   34   34   32   64                                       
CONECT   34   35   33   33   65                                       
CONECT   35   36   36   34                                            
CONECT   36   35   35   31   66                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   17                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   25                                                      
CONECT   62   29                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   36                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
