COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       7.946   0.287  -0.886  1.00  0.00           O  
HETATM    2  C   UNL     1       7.520   1.377  -0.569  1.00  0.00           C  
HETATM    3  N   UNL     1       8.328   2.455  -0.611  1.00  0.00           N  
HETATM    4  C   UNL     1       6.085   1.528  -0.135  1.00  0.00           C  
HETATM    5  O   UNL     1       5.437   0.255  -0.180  1.00  0.00           O  
HETATM    6  C   UNL     1       4.128   0.214   0.185  1.00  0.00           C  
HETATM    7  C   UNL     1       3.478   1.376   0.578  1.00  0.00           C  
HETATM    8  C   UNL     1       3.434  -0.987   0.160  1.00  0.00           C  
HETATM    9  C   UNL     1       2.108  -1.025   0.536  1.00  0.00           C  
HETATM   10  S   UNL     1       1.223  -2.555   0.485  1.00  0.00           S  
HETATM   11  O   UNL     1       1.946  -3.473   1.294  1.00  0.00           O  
HETATM   12  O   UNL     1       0.900  -2.796  -0.878  1.00  0.00           O  
HETATM   13  N   UNL     1      -0.213  -2.243   1.274  1.00  0.00           N  
HETATM   14  C   UNL     1       1.456   0.129   0.948  1.00  0.00           C  
HETATM   15  C   UNL     1       2.153   1.336   0.956  1.00  0.00           C  
HETATM   16  N   UNL     1       0.127   0.118   1.373  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.825  -0.927   1.004  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.160  -0.813  -0.485  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.792   0.527  -0.760  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.079   1.469  -1.034  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.139  -1.904  -0.871  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.772  -2.921  -1.420  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.555  -1.670  -0.546  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.436  -2.725  -0.320  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.753  -2.456  -0.011  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.007  -0.339  -0.467  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.334  -0.091  -0.150  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.197  -1.146   0.075  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.121   0.709  -0.711  1.00  0.00           N  
HETATM   30  C   UNL     1      -3.660   2.055  -0.924  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.761   2.781   0.419  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.325   4.186   0.197  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.543   4.867   1.550  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.336   5.007  -0.633  1.00  0.00           C  
HETATM   35  H   UNL     1       9.250   2.359  -0.895  1.00  0.00           H  
HETATM   36  H   UNL     1       7.987   3.327  -0.358  1.00  0.00           H  
HETATM   37  H   UNL     1       6.052   1.916   0.883  1.00  0.00           H  
HETATM   38  H   UNL     1       5.573   2.219  -0.804  1.00  0.00           H  
HETATM   39  H   UNL     1       4.013   2.314   0.589  1.00  0.00           H  
HETATM   40  H   UNL     1       3.933  -1.892  -0.154  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.620  -2.887   1.875  1.00  0.00           H  
HETATM   42  H   UNL     1       1.653   2.243   1.262  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.180   0.840   1.943  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.735  -0.818   1.594  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.248  -0.915  -1.074  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.090  -3.746  -0.387  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.441  -3.270   0.165  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.693   0.925  -0.079  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.230  -0.948   0.321  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.999   2.610  -1.589  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.650   1.982  -1.373  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.423   2.225   1.084  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.771   2.853   0.869  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.275   4.117  -0.332  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.593   4.936   2.080  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.944   5.868   1.392  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.247   4.283   2.142  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.386   5.076  -0.104  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.180   4.522  -1.597  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.737   6.008  -0.791  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   35   36                                            
CONECT    4    2    5   37   38                                       
CONECT    5    4    6                                                 
CONECT    6    5    8    8    7                                       
CONECT    7    6   15   15   39                                       
CONECT    8    6    6    9   40                                       
CONECT    9    8   10   14   14                                       
CONECT   10    9   13   11   11                                       
CONECT   10   12   12                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   10   17   41                                            
CONECT   14    9    9   16   15                                       
CONECT   15    7    7   14   42                                       
CONECT   16   14   17   43                                            
CONECT   17   13   16   18   44                                       
CONECT   18   17   21   19   45                                       
CONECT   19   18   29   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   18   23   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   24   26                                       
CONECT   24   23   23   25   46                                       
CONECT   25   24   28   28   47                                       
CONECT   26   23   27   27   29                                       
CONECT   27   26   26   28   48                                       
CONECT   28   25   25   27   49                                       
CONECT   29   19   26   30                                            
CONECT   30   29   31   50   51                                       
CONECT   31   30   32   52   53                                       
CONECT   32   31   34   33   54                                       
CONECT   33   32   55   56   57                                       
CONECT   34   32   58   59   60                                       
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41   13                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
CONECT   54   32                                                      
CONECT   55   33                                                      
CONECT   56   33                                                      
CONECT   57   33                                                      
CONECT   58   34                                                      
CONECT   59   34                                                      
CONECT   60   34                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
