COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.014  -2.622  -0.206  1.00  0.00           C  
HETATM    2  N   UNL     1       0.004  -3.912  -0.413  1.00  0.00           N  
HETATM    3  N   UNL     1       1.329  -4.345  -0.510  1.00  0.00           N  
HETATM    4  C   UNL     1       1.321  -2.153  -0.160  1.00  0.00           C  
HETATM    5  C   UNL     1       2.155  -3.239  -0.351  1.00  0.00           C  
HETATM    6  C   UNL     1       3.507  -2.909  -0.327  1.00  0.00           C  
HETATM    7  C   UNL     1       3.776  -1.597  -0.123  1.00  0.00           C  
HETATM    8  S   UNL     1       2.280  -0.693   0.052  1.00  0.00           S  
HETATM    9  N   UNL     1      -1.163  -1.834  -0.061  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.383  -2.402  -0.131  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.593  -1.572   0.022  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.487  -3.599  -0.320  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.859  -2.159  -0.051  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.986  -1.382   0.092  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.866  -0.012   0.308  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.606   0.576   0.380  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.476  -0.197   0.244  1.00  0.00           C  
HETATM   18  N   UNL     1      -7.006   0.770   0.451  1.00  0.00           N  
HETATM   19  C   UNL     1      -6.654   2.180   0.669  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.930   2.993   0.901  1.00  0.00           C  
HETATM   21  N   UNL     1      -8.817   2.849  -0.262  1.00  0.00           N  
HETATM   22  C   UNL     1      -9.169   1.439  -0.481  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.893   0.626  -0.712  1.00  0.00           C  
HETATM   24  C   UNL     1     -10.022   3.675  -0.111  1.00  0.00           C  
HETATM   25  C   UNL     1       5.121  -1.015  -0.058  1.00  0.00           C  
HETATM   26  O   UNL     1       6.099  -1.727  -0.193  1.00  0.00           O  
HETATM   27  N   UNL     1       5.274   0.308   0.150  1.00  0.00           N  
HETATM   28  C   UNL     1       6.617   0.889   0.214  1.00  0.00           C  
HETATM   29  C   UNL     1       6.552   2.347  -0.159  1.00  0.00           C  
HETATM   30  C   UNL     1       7.165   0.750   1.636  1.00  0.00           C  
HETATM   31  C   UNL     1       7.544   2.904  -0.946  1.00  0.00           C  
HETATM   32  C   UNL     1       7.484   4.242  -1.288  1.00  0.00           C  
HETATM   33  C   UNL     1       6.433   5.023  -0.845  1.00  0.00           C  
HETATM   34  C   UNL     1       5.442   4.466  -0.059  1.00  0.00           C  
HETATM   35  C   UNL     1       5.499   3.127   0.280  1.00  0.00           C  
HETATM   36  C   UNL     1       7.348  -0.732   1.970  1.00  0.00           C  
HETATM   37  H   UNL     1      -1.080  -0.879   0.089  1.00  0.00           H  
HETATM   38  H   UNL     1       1.621  -5.258  -0.662  1.00  0.00           H  
HETATM   39  H   UNL     1       4.285  -3.646  -0.461  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.953  -3.222  -0.219  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.499   0.260   0.306  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.965  -1.836   0.036  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.516   1.639   0.548  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.007   2.262   1.543  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.132   2.564  -0.207  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.385   0.993  -1.604  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.150  -0.425  -0.845  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.438   2.626   1.793  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.673   4.043   1.034  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.691   1.054   0.396  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.816   1.357  -1.354  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.734   4.722  -0.018  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.660   3.550  -0.985  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.564   3.367   0.782  1.00  0.00           H  
HETATM   55  H   UNL     1       4.495   0.875   0.257  1.00  0.00           H  
HETATM   56  H   UNL     1       7.274   0.364  -0.480  1.00  0.00           H  
HETATM   57  H   UNL     1       8.126   1.260   1.707  1.00  0.00           H  
HETATM   58  H   UNL     1       6.464   1.198   2.341  1.00  0.00           H  
HETATM   59  H   UNL     1       8.365   2.294  -1.292  1.00  0.00           H  
HETATM   60  H   UNL     1       4.722   2.691   0.891  1.00  0.00           H  
HETATM   61  H   UNL     1       6.387  -1.241   1.900  1.00  0.00           H  
HETATM   62  H   UNL     1       8.049  -1.179   1.266  1.00  0.00           H  
HETATM   63  H   UNL     1       7.738  -0.830   2.983  1.00  0.00           H  
HETATM   64  H   UNL     1       8.259   4.677  -1.902  1.00  0.00           H  
HETATM   65  H   UNL     1       6.387   6.068  -1.112  1.00  0.00           H  
HETATM   66  H   UNL     1       4.621   5.076   0.287  1.00  0.00           H  
CONECT    1    2    2    4    9                                       
CONECT    2    1    1    3                                            
CONECT    3    2    5   38                                            
CONECT    4    1    5    5    8                                       
CONECT    5    3    4    4    6                                       
CONECT    6    5    7    7   39                                       
CONECT    7    6    6    8   25                                       
CONECT    8    4    7                                                 
CONECT    9    1   10   37                                            
CONECT   10    9   11   12   12                                       
CONECT   11   10   13   17   17                                       
CONECT   12   10   10                                                 
CONECT   13   11   14   14   40                                       
CONECT   14   13   13   15   42                                       
CONECT   15   14   16   16   18                                       
CONECT   16   15   15   17   43                                       
CONECT   17   11   11   16   41                                       
CONECT   18   15   19   23                                            
CONECT   19   18   20   44   45                                       
CONECT   20   19   21   48   49                                       
CONECT   21   20   22   24                                            
CONECT   22   21   23   50   51                                       
CONECT   23   18   22   46   47                                       
CONECT   24   21   52   53   54                                       
CONECT   25    7   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   55                                            
CONECT   28   27   29   30   56                                       
CONECT   29   28   31   35   35                                       
CONECT   30   28   36   57   58                                       
CONECT   31   29   32   32   59                                       
CONECT   32   31   31   33   64                                       
CONECT   33   32   34   34   65                                       
CONECT   34   33   33   35   66                                       
CONECT   35   29   29   34   60                                       
CONECT   36   30   61   62   63                                       
CONECT   37    9                                                      
CONECT   38    3                                                      
CONECT   39    6                                                      
CONECT   40   13                                                      
CONECT   41   17                                                      
CONECT   42   14                                                      
CONECT   43   16                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   35                                                      
CONECT   61   36                                                      
CONECT   62   36                                                      
CONECT   63   36                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
