COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.525  -3.372   0.763  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.747  -3.324  -0.052  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.720  -2.350   0.559  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.609  -2.032   1.724  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.381  -4.716  -0.102  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.444  -5.678  -0.834  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.019  -7.094  -0.776  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.306  -5.243  -2.295  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.818   3.166   1.303  1.00  0.00           C  
HETATM   10  C   UNL     1       5.520   0.666  -0.119  1.00  0.00           C  
HETATM   11  C   UNL     1       4.311   0.584  -0.747  1.00  0.00           C  
HETATM   12  C   UNL     1       6.461  -0.449   0.154  1.00  0.00           C  
HETATM   13  C   UNL     1       7.666  -0.202   0.809  1.00  0.00           C  
HETATM   14  C   UNL     1       8.537  -1.243   1.060  1.00  0.00           C  
HETATM   15  C   UNL     1       8.217  -2.528   0.661  1.00  0.00           C  
HETATM   16  C   UNL     1       7.023  -2.778   0.009  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.466   4.131   0.168  1.00  0.00           C  
HETATM   18  C   UNL     1       6.141  -1.746  -0.241  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.759   4.655  -0.465  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.595   3.466  -0.951  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.864   2.527   0.227  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.647   1.306  -0.262  1.00  0.00           C  
HETATM   23  C   UNL     1       0.360   3.398  -0.890  1.00  0.00           C  
HETATM   24  C   UNL     1       1.702   2.977  -0.287  1.00  0.00           C  
HETATM   25  C   UNL     1       2.529   2.243  -1.345  1.00  0.00           C  
HETATM   26  N   UNL     1       3.814   1.841  -0.768  1.00  0.00           N  
HETATM   27  N   UNL     1       4.659   2.624  -0.196  1.00  0.00           N  
HETATM   28  N   UNL     1       5.689   1.962   0.199  1.00  0.00           N  
HETATM   29  N   UNL     1      -3.715  -1.832  -0.189  1.00  0.00           N  
HETATM   30  O   UNL     1      -5.676  -0.380  -0.556  1.00  0.00           O  
HETATM   31  O   UNL     1      -5.219  -1.342   1.706  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.501   5.396   0.506  1.00  0.00           O  
HETATM   33  O   UNL     1      -3.835   3.939  -1.480  1.00  0.00           O  
HETATM   34  O   UNL     1      -1.621   2.101   0.789  1.00  0.00           O  
HETATM   35  O   UNL     1      -3.999   0.487   0.855  1.00  0.00           O  
HETATM   36  S   UNL     1      -4.785  -0.762   0.483  1.00  0.00           S  
HETATM   37  H   UNL     1      -0.731  -3.668   1.706  1.00  0.00           H  
HETATM   38  H   UNL     1       0.169  -3.970   0.340  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.497  -3.002  -1.063  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.550  -5.075   0.913  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.333  -4.662  -0.631  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.464  -5.664  -0.357  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.999  -7.108  -1.254  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.351  -7.779  -1.298  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.118  -7.404   0.264  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.896  -4.234  -2.336  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.638  -5.928  -2.816  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.286  -5.256  -2.772  1.00  0.00           H  
HETATM   49  H   UNL     1       0.098   2.757   1.729  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.372   3.699   2.075  1.00  0.00           H  
HETATM   51  H   UNL     1       3.846  -0.306  -1.146  1.00  0.00           H  
HETATM   52  H   UNL     1       7.917   0.801   1.121  1.00  0.00           H  
HETATM   53  H   UNL     1       9.471  -1.053   1.568  1.00  0.00           H  
HETATM   54  H   UNL     1       8.903  -3.339   0.858  1.00  0.00           H  
HETATM   55  H   UNL     1       6.778  -3.783  -0.301  1.00  0.00           H  
HETATM   56  H   UNL     1       0.109   4.967   0.566  1.00  0.00           H  
HETATM   57  H   UNL     1       5.207  -1.943  -0.746  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.516   5.301  -1.309  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.049   2.930  -1.727  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.445   3.051   0.985  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.553   1.636  -0.771  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.030   0.732  -0.954  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.181   2.513  -1.225  1.00  0.00           H  
HETATM   64  H   UNL     1       0.535   4.060  -1.738  1.00  0.00           H  
HETATM   65  H   UNL     1       2.243   3.862   0.047  1.00  0.00           H  
HETATM   66  H   UNL     1       1.528   2.315   0.561  1.00  0.00           H  
HETATM   67  H   UNL     1       1.988   1.359  -1.680  1.00  0.00           H  
HETATM   68  H   UNL     1       2.703   2.905  -2.194  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.804  -2.087  -1.120  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.334   5.758   0.172  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.416   3.238  -1.806  1.00  0.00           H  
CONECT    1    2   37   38                                            
CONECT    2    5    1    3   39                                       
CONECT    3    2   29    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    6    2   40   41                                       
CONECT    6    7    5    8   42                                       
CONECT    7    6   43   44   45                                       
CONECT    8    6   46   47   48                                       
CONECT    9   34   17   49   50                                       
CONECT   10   28   11   11   12                                       
CONECT   11   26   10   10   51                                       
CONECT   12   10   18   18   13                                       
CONECT   13   12   14   14   52                                       
CONECT   14   13   13   15   53                                       
CONECT   15   16   16   14   54                                       
CONECT   16   18   15   15   55                                       
CONECT   17    9   19   23   56                                       
CONECT   18   12   12   16   57                                       
CONECT   19   20   17   32   58                                       
CONECT   20   33   21   19   59                                       
CONECT   21   34   20   22   60                                       
CONECT   22   21   35   61   62                                       
CONECT   23   17   24   63   64                                       
CONECT   24   23   25   65   66                                       
CONECT   25   24   26   67   68                                       
CONECT   26   25   27   11                                            
CONECT   27   26   28   28                                            
CONECT   28   27   27   10                                            
CONECT   29    3   36   69                                            
CONECT   30   36   36                                                 
CONECT   31   36   36                                                 
CONECT   32   19   70                                                 
CONECT   33   20   71                                                 
CONECT   34   21    9                                                 
CONECT   35   22   36                                                 
CONECT   36   35   29   30   30                                       
CONECT   36   31   31                                                 
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   29                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
