COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.005  -0.233  -0.714  1.00  0.00           C  
HETATM    2  C   UNL     1       8.202  -0.448   0.229  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.996  -2.807  -1.434  1.00  0.00           O  
HETATM    4  C   UNL     1       9.062   0.830   0.149  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.784  -1.222   0.562  1.00  0.00           C  
HETATM    6  C   UNL     1       7.709  -0.660   1.662  1.00  0.00           C  
HETATM    7  C   UNL     1       4.629  -0.683  -0.822  1.00  0.00           C  
HETATM    8  S   UNL     1      -4.107  -2.569  -0.352  1.00  0.00           S  
HETATM    9  O   UNL     1      -3.757  -3.564   0.600  1.00  0.00           O  
HETATM   10  N   UNL     1      -2.686  -2.042  -1.020  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.569  -1.654  -0.156  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.281  -1.601  -0.980  1.00  0.00           C  
HETATM   13  C   UNL     1       0.886  -1.196  -0.077  1.00  0.00           C  
HETATM   14  C   UNL     1       2.174  -1.142  -0.901  1.00  0.00           C  
HETATM   15  C   UNL     1       3.341  -0.737   0.002  1.00  0.00           C  
HETATM   16  N   UNL     1       5.749  -0.295   0.045  1.00  0.00           N  
HETATM   17  C   UNL     1       7.179   1.169  -1.334  1.00  0.00           C  
HETATM   18  O   UNL     1       8.818  -0.974   2.506  1.00  0.00           O  
HETATM   19  O   UNL     1       8.720   1.729   1.206  1.00  0.00           O  
HETATM   20  C   UNL     1       8.699   1.446  -1.225  1.00  0.00           C  
HETATM   21  O   UNL     1       8.960   2.851  -1.234  1.00  0.00           O  
HETATM   22  H   UNL     1       7.005  -0.991  -1.497  1.00  0.00           H  
HETATM   23  H   UNL     1       8.783  -1.311  -0.097  1.00  0.00           H  
HETATM   24  H   UNL     1      10.122   0.580   0.190  1.00  0.00           H  
HETATM   25  H   UNL     1       7.227   0.251   2.018  1.00  0.00           H  
HETATM   26  H   UNL     1       6.993  -1.481   1.682  1.00  0.00           H  
HETATM   27  H   UNL     1       4.826  -1.665  -1.252  1.00  0.00           H  
HETATM   28  H   UNL     1       4.518   0.048  -1.622  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.594  -1.990  -1.985  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.766  -0.672   0.274  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.458  -2.386   0.645  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.084  -2.582  -1.410  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.392  -0.869  -1.780  1.00  0.00           H  
HETATM   34  H   UNL     1       0.689  -0.214   0.353  1.00  0.00           H  
HETATM   35  H   UNL     1       0.997  -1.927   0.724  1.00  0.00           H  
HETATM   36  H   UNL     1       3.452  -1.469   0.802  1.00  0.00           H  
HETATM   37  H   UNL     1       3.143   0.245   0.432  1.00  0.00           H  
HETATM   38  H   UNL     1       5.562   0.583   0.506  1.00  0.00           H  
HETATM   39  H   UNL     1       6.866   1.166  -2.378  1.00  0.00           H  
HETATM   40  H   UNL     1       6.615   1.910  -0.767  1.00  0.00           H  
HETATM   41  H   UNL     1       8.579  -1.121   3.431  1.00  0.00           H  
HETATM   42  H   UNL     1       9.231   2.550   1.204  1.00  0.00           H  
HETATM   43  H   UNL     1       9.242   0.946  -2.028  1.00  0.00           H  
HETATM   44  H   UNL     1       8.676   3.299  -2.043  1.00  0.00           H  
HETATM   45  C   UNL     1      -5.187  -0.051  -0.102  1.00  0.00           C  
HETATM   46  C   UNL     1      -5.729   1.021   0.650  1.00  0.00           C  
HETATM   47  C   UNL     1      -5.853   0.892   2.042  1.00  0.00           C  
HETATM   48  C   UNL     1      -5.452  -0.257   2.652  1.00  0.00           C  
HETATM   49  C   UNL     1      -4.924  -1.314   1.912  1.00  0.00           C  
HETATM   50  C   UNL     1      -6.134   2.198  -0.016  1.00  0.00           C  
HETATM   51  C   UNL     1      -5.994   2.282  -1.385  1.00  0.00           C  
HETATM   52  C   UNL     1      -5.460   1.223  -2.113  1.00  0.00           C  
HETATM   53  C   UNL     1      -5.061   0.077  -1.496  1.00  0.00           C  
HETATM   54  N   UNL     1      -6.670   3.263   0.703  1.00  0.00           N  
HETATM   55  C   UNL     1      -5.857   4.475   0.533  1.00  0.00           C  
HETATM   56  C   UNL     1      -8.067   3.508   0.319  1.00  0.00           C  
HETATM   57  H   UNL     1      -4.614  -2.215   2.420  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.548  -0.353   3.723  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.264   1.702   2.627  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.649  -0.735  -2.077  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.360   1.312  -3.184  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.303   3.181  -1.898  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.660   2.616   0.521  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.461   4.345   0.896  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.116   3.744  -0.744  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.826   4.746  -0.523  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.298   5.292   1.104  1.00  0.00           H  
HETATM   68  H   UNL     1       2.371  -2.124  -1.331  1.00  0.00           H  
HETATM   69  H   UNL     1       2.063  -0.410  -1.701  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.845   4.287   0.890  1.00  0.00           H  
CONECT    1   17   16    2   22                                       
CONECT    2    1    4    6   23                                       
CONECT    3    8    8                                                 
CONECT    4   20    2   19   24                                       
CONECT    5    8   45   49   49                                       
CONECT    6    2   18   25   26                                       
CONECT    7   15   16   27   28                                       
CONECT    8    5    3    3   10                                       
CONECT    8    9    9                                                 
CONECT    9    8    8                                                 
CONECT   10    8   11   29                                            
CONECT   11   12   10   30   31                                       
CONECT   12   13   11   32   33                                       
CONECT   13   12   14   34   35                                       
CONECT   14   13   15   68   69                                       
CONECT   15    7   14   36   37                                       
CONECT   16    7    1   38                                            
CONECT   17    1   20   39   40                                       
CONECT   18    6   41                                                 
CONECT   19    4   42                                                 
CONECT   20   17   21    4   43                                       
CONECT   21   20   44                                                 
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    4                                                      
CONECT   25    6                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45    5   46   46   53                                       
CONECT   46   45   45   47   50                                       
CONECT   47   46   48   48   59                                       
CONECT   48   47   47   49   58                                       
CONECT   49   48    5    5   57                                       
CONECT   50   46   51   51   54                                       
CONECT   51   50   50   52   62                                       
CONECT   52   51   53   53   61                                       
CONECT   53   52   52   45   60                                       
CONECT   54   50   55   56                                            
CONECT   55   54   66   67   70                                       
CONECT   56   54   63   64   65                                       
CONECT   57   49                                                      
CONECT   58   48                                                      
CONECT   59   47                                                      
CONECT   60   53                                                      
CONECT   61   52                                                      
CONECT   62   51                                                      
CONECT   63   56                                                      
CONECT   64   56                                                      
CONECT   65   56                                                      
CONECT   66   55                                                      
CONECT   67   55                                                      
CONECT   68   14                                                      
CONECT   69   14                                                      
CONECT   70   55                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
