COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.862   2.752  -1.422  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.835   5.094  -2.208  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.095   0.573   0.511  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.770  -0.283   0.402  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.302   2.006  -0.287  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.928   3.914  -1.818  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.289   4.608  -2.036  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.184   3.450  -1.013  1.00  0.00           C  
HETATM    9  C   UNL     1       4.800   2.033   2.540  1.00  0.00           C  
HETATM   10  C   UNL     1       3.774   2.691   1.615  1.00  0.00           C  
HETATM   11  C   UNL     1       2.434   2.812   2.345  1.00  0.00           C  
HETATM   12  C   UNL     1       4.266   4.084   1.217  1.00  0.00           C  
HETATM   13  C   UNL     1       3.107   0.640   0.595  1.00  0.00           C  
HETATM   14  C   UNL     1       2.218  -1.445  -0.301  1.00  0.00           C  
HETATM   15  C   UNL     1       0.896  -1.258   0.447  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.804   0.626  -0.266  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.210  -0.498   1.074  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.985  -1.728   0.677  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.801  -2.923   1.356  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.535  -4.029   0.956  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.420  -3.905  -0.098  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.892  -1.679  -0.365  1.00  0.00           C  
HETATM   23  C   UNL     1       3.134  -2.368   0.506  1.00  0.00           C  
HETATM   24  C   UNL     1       4.384  -2.651  -0.286  1.00  0.00           C  
HETATM   25  C   UNL     1       4.605  -3.712  -1.078  1.00  0.00           C  
HETATM   26  C   UNL     1       6.481  -2.481  -1.201  1.00  0.00           C  
HETATM   27  C   UNL     1       5.588  -1.817  -0.341  1.00  0.00           C  
HETATM   28  C   UNL     1       5.960  -0.610   0.253  1.00  0.00           C  
HETATM   29  C   UNL     1       7.192  -0.078  -0.006  1.00  0.00           C  
HETATM   30  C   UNL     1       8.076  -0.729  -0.854  1.00  0.00           C  
HETATM   31  C   UNL     1       7.730  -1.921  -1.451  1.00  0.00           C  
HETATM   32  N   UNL     1       2.868  -0.144  -0.476  1.00  0.00           N  
HETATM   33  N   UNL     1      -4.955  -0.447   0.319  1.00  0.00           N  
HETATM   34  N   UNL     1      -8.569  -2.752  -0.722  1.00  0.00           N  
HETATM   35  N   UNL     1       5.853  -3.628  -1.632  1.00  0.00           N  
HETATM   36  O   UNL     1       3.605   1.879   0.424  1.00  0.00           O  
HETATM   37  O   UNL     1       2.873   0.228   1.713  1.00  0.00           O  
HETATM   38  O   UNL     1      -4.360   1.448   1.308  1.00  0.00           O  
HETATM   39  S   UNL     1      -0.236  -0.266  -0.565  1.00  0.00           S  
HETATM   40  H   UNL     1      -3.026   2.088  -2.271  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.646   5.944  -1.552  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.656   5.376  -3.246  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.568   0.077   1.411  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.496   2.475   0.585  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.298   4.192  -0.973  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.309   3.623  -2.666  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.915   5.409  -1.642  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.685   4.245  -2.984  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.028   2.767  -1.114  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.118   3.837   0.004  1.00  0.00           H  
HETATM   51  H   UNL     1       4.450   1.041   2.823  1.00  0.00           H  
HETATM   52  H   UNL     1       5.755   1.947   2.020  1.00  0.00           H  
HETATM   53  H   UNL     1       4.927   2.643   3.434  1.00  0.00           H  
HETATM   54  H   UNL     1       2.533   3.515   3.172  1.00  0.00           H  
HETATM   55  H   UNL     1       1.675   3.172   1.651  1.00  0.00           H  
HETATM   56  H   UNL     1       2.141   1.836   2.730  1.00  0.00           H  
HETATM   57  H   UNL     1       5.220   3.998   0.698  1.00  0.00           H  
HETATM   58  H   UNL     1       3.535   4.553   0.559  1.00  0.00           H  
HETATM   59  H   UNL     1       4.393   4.694   2.112  1.00  0.00           H  
HETATM   60  H   UNL     1       2.023  -1.888  -1.277  1.00  0.00           H  
HETATM   61  H   UNL     1       0.449  -2.232   0.643  1.00  0.00           H  
HETATM   62  H   UNL     1       1.082  -0.747   1.391  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.980   0.287  -1.287  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.802   0.390   0.855  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.991  -0.535   2.141  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.102  -2.991   2.176  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.417  -4.976   1.462  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.995  -4.762  -0.416  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.044  -0.751  -0.896  1.00  0.00           H  
HETATM   70  H   UNL     1       3.400  -1.885   1.446  1.00  0.00           H  
HETATM   71  H   UNL     1       2.615  -3.304   0.712  1.00  0.00           H  
HETATM   72  H   UNL     1       3.902  -4.512  -1.253  1.00  0.00           H  
HETATM   73  H   UNL     1       5.276  -0.098   0.914  1.00  0.00           H  
HETATM   74  H   UNL     1       7.479   0.856   0.454  1.00  0.00           H  
HETATM   75  H   UNL     1       9.046  -0.295  -1.050  1.00  0.00           H  
HETATM   76  H   UNL     1       8.426  -2.420  -2.109  1.00  0.00           H  
HETATM   77  H   UNL     1       3.127   0.154  -1.362  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.744  -1.147  -0.318  1.00  0.00           H  
HETATM   79  H   UNL     1       6.239  -4.280  -2.238  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.158  -1.300   0.451  1.00  0.00           H  
CONECT    1    8    5    6   40                                       
CONECT    2    7    6   41   42                                       
CONECT    3   33   16   38   38                                       
CONECT    4   39   16   43   80                                       
CONECT    5   16    1   44                                            
CONECT    6    2    1   45   46                                       
CONECT    7    8    2   47   48                                       
CONECT    8    7    1   49   50                                       
CONECT    9   10   51   52   53                                       
CONECT   10   12    9   11   36                                       
CONECT   11   10   54   55   56                                       
CONECT   12   10   57   58   59                                       
CONECT   13   32   36   37   37                                       
CONECT   14   32   23   15   60                                       
CONECT   15   14   39   61   62                                       
CONECT   16    4    3    5   63                                       
CONECT   17   18   33   64   65                                       
CONECT   18   19   19   22   17                                       
CONECT   19   20   18   18   66                                       
CONECT   20   21   21   19   67                                       
CONECT   21   20   20   34   68                                       
CONECT   22   34   34   18   69                                       
CONECT   23   24   14   70   71                                       
CONECT   24   25   25   27   23                                       
CONECT   25   35   24   24   72                                       
CONECT   26   35   31   31   27                                       
CONECT   27   26   24   28   28                                       
CONECT   28   27   27   29   73                                       
CONECT   29   30   30   28   74                                       
CONECT   30   31   29   29   75                                       
CONECT   31   26   26   30   76                                       
CONECT   32   13   14   77                                            
CONECT   33   17    3   78                                            
CONECT   34   21   22   22                                            
CONECT   35   26   25   79                                            
CONECT   36   10   13                                                 
CONECT   37   13   13                                                 
CONECT   38    3    3                                                 
CONECT   39   15    4                                                 
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   25                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   35                                                      
CONECT   80    4                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
