COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 SE   UNL     1      -0.631  -2.296  -0.589  1.00  0.00          Se  
HETATM    2  C   UNL     1      -1.934  -1.070   0.210  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.330  -1.384  -0.333  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.347  -0.426   0.291  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.742  -0.740  -0.252  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.760   0.217   0.372  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.155  -0.096  -0.172  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.172   0.861   0.452  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.568   0.548  -0.091  1.00  0.00           C  
HETATM   10  C   UNL     1     -11.585   1.505   0.533  1.00  0.00           C  
HETATM   11  C   UNL     1       1.027  -1.687   0.261  1.00  0.00           C  
HETATM   12  C   UNL     1       6.037  -0.230  -0.073  1.00  0.00           C  
HETATM   13  O   UNL     1       4.833  -0.017   0.667  1.00  0.00           O  
HETATM   14  C   UNL     1       2.199  -2.535  -0.240  1.00  0.00           C  
HETATM   15  O   UNL     1       1.999  -3.898   0.142  1.00  0.00           O  
HETATM   16  C   UNL     1       7.244   0.074   0.818  1.00  0.00           C  
HETATM   17  O   UNL     1       7.196  -0.749   1.985  1.00  0.00           O  
HETATM   18  C   UNL     1       3.498  -2.014   0.383  1.00  0.00           C  
HETATM   19  O   UNL     1       4.606  -2.753  -0.135  1.00  0.00           O  
HETATM   20  C   UNL     1       7.206   1.549   1.230  1.00  0.00           C  
HETATM   21  O   UNL     1       8.368   1.860   2.001  1.00  0.00           O  
HETATM   22  C   UNL     1       3.661  -0.532   0.031  1.00  0.00           C  
HETATM   23  O   UNL     1       7.071   3.795   0.342  1.00  0.00           O  
HETATM   24  C   UNL     1       7.180   2.420  -0.030  1.00  0.00           C  
HETATM   25  C   UNL     1       2.433   0.239   0.521  1.00  0.00           C  
HETATM   26  O   UNL     1       1.257  -0.316  -0.072  1.00  0.00           O  
HETATM   27  C   UNL     1       5.975   2.025  -0.888  1.00  0.00           C  
HETATM   28  O   UNL     1       6.056   0.635  -1.211  1.00  0.00           O  
HETATM   29  C   UNL     1       2.560   1.710   0.121  1.00  0.00           C  
HETATM   30  O   UNL     1       1.461   2.447   0.660  1.00  0.00           O  
HETATM   31  C   UNL     1       5.975   2.849  -2.178  1.00  0.00           C  
HETATM   32  O   UNL     1       4.790   2.565  -2.924  1.00  0.00           O  
HETATM   33  H   UNL     1      -1.930  -1.192   1.294  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.669  -0.043  -0.041  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.333  -1.262  -1.416  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.595  -2.411  -0.082  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.343  -0.548   1.374  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.081   0.600   0.040  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.746  -0.618  -1.336  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.008  -1.767  -0.001  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.756   0.095   1.455  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.494   1.244   0.121  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.159   0.026  -1.255  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.421  -1.123   0.079  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.169   0.739   1.536  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.907   1.888   0.201  1.00  0.00           H  
HETATM   47  H   UNL     1     -10.572   0.669  -1.174  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.833  -0.479   0.160  1.00  0.00           H  
HETATM   49  H   UNL     1     -11.582   1.383   1.616  1.00  0.00           H  
HETATM   50  H   UNL     1     -11.320   2.532   0.282  1.00  0.00           H  
HETATM   51  H   UNL     1       0.939  -1.789   1.342  1.00  0.00           H  
HETATM   52  H   UNL     1       6.081  -1.267  -0.404  1.00  0.00           H  
HETATM   53  H   UNL     1       2.261  -2.466  -1.326  1.00  0.00           H  
HETATM   54  H   UNL     1       1.191  -4.291  -0.213  1.00  0.00           H  
HETATM   55  H   UNL     1       8.163  -0.127   0.267  1.00  0.00           H  
HETATM   56  H   UNL     1       7.212  -1.698   1.798  1.00  0.00           H  
HETATM   57  H   UNL     1       3.456  -2.131   1.466  1.00  0.00           H  
HETATM   58  H   UNL     1       4.564  -3.702   0.045  1.00  0.00           H  
HETATM   59  H   UNL     1       6.312   1.739   1.824  1.00  0.00           H  
HETATM   60  H   UNL     1       8.453   1.340   2.812  1.00  0.00           H  
HETATM   61  H   UNL     1       3.755  -0.422  -1.049  1.00  0.00           H  
HETATM   62  H   UNL     1       7.800   4.112   0.892  1.00  0.00           H  
HETATM   63  H   UNL     1       8.098   2.267  -0.598  1.00  0.00           H  
HETATM   64  H   UNL     1       2.364   0.162   1.606  1.00  0.00           H  
HETATM   65  H   UNL     1       5.056   2.217  -0.334  1.00  0.00           H  
HETATM   66  H   UNL     1       3.495   2.113   0.511  1.00  0.00           H  
HETATM   67  H   UNL     1       2.555   1.792  -0.966  1.00  0.00           H  
HETATM   68  H   UNL     1       1.477   3.390   0.445  1.00  0.00           H  
HETATM   69  H   UNL     1       6.004   3.910  -1.931  1.00  0.00           H  
HETATM   70  H   UNL     1       6.850   2.591  -2.774  1.00  0.00           H  
HETATM   71  H   UNL     1       4.723   3.054  -3.756  1.00  0.00           H  
HETATM   72  C   UNL     1     -12.981   1.191  -0.010  1.00  0.00           C  
HETATM   73  C   UNL     1     -13.998   2.148   0.614  1.00  0.00           C  
HETATM   74  C   UNL     1     -15.393   1.835   0.070  1.00  0.00           C  
HETATM   75  H   UNL     1     -12.984   1.313  -1.094  1.00  0.00           H  
HETATM   76  H   UNL     1     -13.246   0.164   0.241  1.00  0.00           H  
HETATM   77  H   UNL     1     -13.994   2.027   1.697  1.00  0.00           H  
HETATM   78  H   UNL     1     -13.732   3.175   0.363  1.00  0.00           H  
HETATM   79  H   UNL     1     -16.118   2.517   0.515  1.00  0.00           H  
HETATM   80  H   UNL     1     -15.397   1.957  -1.013  1.00  0.00           H  
HETATM   81  H   UNL     1     -15.659   0.808   0.321  1.00  0.00           H  
CONECT    1    2   11                                                 
CONECT    2    1    3   33   34                                       
CONECT    3    2    4   35   36                                       
CONECT    4    3    5   37   38                                       
CONECT    5    4    6   39   40                                       
CONECT    6    5    7   41   42                                       
CONECT    7    6    8   43   44                                       
CONECT    8    7    9   45   46                                       
CONECT    9    8   10   47   48                                       
CONECT   10    9   49   50   72                                       
CONECT   11    1   14   26   51                                       
CONECT   12   13   16   28   52                                       
CONECT   13   12   22                                                 
CONECT   14   11   15   18   53                                       
CONECT   15   14   54                                                 
CONECT   16   12   17   20   55                                       
CONECT   17   16   56                                                 
CONECT   18   14   19   22   57                                       
CONECT   19   18   58                                                 
CONECT   20   16   21   24   59                                       
CONECT   21   20   60                                                 
CONECT   22   13   18   25   61                                       
CONECT   23   24   62                                                 
CONECT   24   20   23   27   63                                       
CONECT   25   22   26   29   64                                       
CONECT   26   11   25                                                 
CONECT   27   24   28   31   65                                       
CONECT   28   12   27                                                 
CONECT   29   25   30   66   67                                       
CONECT   30   29   68                                                 
CONECT   31   27   32   69   70                                       
CONECT   32   31   71                                                 
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
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   23                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   27                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   10   73   75   76                                       
CONECT   73   72   74   77   78                                       
CONECT   74   73   79   80   81                                       
CONECT   75   72                                                      
CONECT   76   72                                                      
CONECT   77   73                                                      
CONECT   78   73                                                      
CONECT   79   74                                                      
CONECT   80   74                                                      
CONECT   81   74                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
