COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.967  -2.507  -0.536  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.678  -0.137  -0.020  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.469  -3.812   0.119  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.046   1.306   0.518  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.345  -2.085   1.399  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.177   0.942  -0.409  1.00  0.00           C  
HETATM    7  C   UNL     1       2.399  -0.172  -0.541  1.00  0.00           C  
HETATM    8  C   UNL     1       2.261  -0.876  -1.892  1.00  0.00           C  
HETATM    9  C   UNL     1       3.616  -0.889  -2.602  1.00  0.00           C  
HETATM   10  C   UNL     1       1.786  -2.313  -1.672  1.00  0.00           C  
HETATM   11  C   UNL     1       1.241  -0.128  -2.754  1.00  0.00           C  
HETATM   12  C   UNL     1       6.924  -1.238   0.916  1.00  0.00           C  
HETATM   13  C   UNL     1       7.391  -1.566  -0.504  1.00  0.00           C  
HETATM   14  C   UNL     1       7.640  -2.152   1.912  1.00  0.00           C  
HETATM   15  C   UNL     1       7.252   0.222   1.236  1.00  0.00           C  
HETATM   16  O   UNL     1       5.086   0.063  -0.567  1.00  0.00           O  
HETATM   17  C   UNL     1      -5.015   1.706  -1.540  1.00  0.00           C  
HETATM   18  C   UNL     1       1.047  -0.079   0.118  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.530   0.468  -0.829  1.00  0.00           C  
HETATM   20  C   UNL     1       4.641  -0.744   0.226  1.00  0.00           C  
HETATM   21  C   UNL     1       0.499   2.114  -1.043  1.00  0.00           C  
HETATM   22  C   UNL     1       0.009   3.366  -0.278  1.00  0.00           C  
HETATM   23  C   UNL     1       0.305   3.458   1.220  1.00  0.00           C  
HETATM   24  C   UNL     1       0.234   4.842   1.869  1.00  0.00           C  
HETATM   25  C   UNL     1       1.370   2.518   1.788  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.010   2.832   0.749  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.231  -1.471   0.581  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.431   0.822   0.072  1.00  0.00           N  
HETATM   29  N   UNL     1       0.258   0.989  -0.110  1.00  0.00           N  
HETATM   30  N   UNL     1       3.309  -0.936   0.316  1.00  0.00           N  
HETATM   31  N   UNL     1       5.478  -1.446   1.014  1.00  0.00           N  
HETATM   32  N   UNL     1      -4.464   2.836  -1.304  1.00  0.00           N  
HETATM   33  N   UNL     1      -6.460  -3.394   1.117  1.00  0.00           N  
HETATM   34  O   UNL     1       0.669  -0.967   0.854  1.00  0.00           O  
HETATM   35  O   UNL     1      -1.960   0.757  -1.588  1.00  0.00           O  
HETATM   36  O   UNL     1      -7.035  -1.483   2.195  1.00  0.00           O  
HETATM   37  H   UNL     1      -3.903  -2.570  -0.767  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.544  -2.272  -1.430  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.958   0.546   0.782  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.536  -0.302  -0.672  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.934  -4.455  -0.629  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.643  -4.333   0.603  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.149   0.780   1.467  1.00  0.00           H  
HETATM   44  H   UNL     1       2.799   0.831  -0.693  1.00  0.00           H  
HETATM   45  H   UNL     1       4.343  -1.421  -1.988  1.00  0.00           H  
HETATM   46  H   UNL     1       3.518  -1.390  -3.565  1.00  0.00           H  
HETATM   47  H   UNL     1       3.954   0.135  -2.759  1.00  0.00           H  
HETATM   48  H   UNL     1       0.821  -2.304  -1.167  1.00  0.00           H  
HETATM   49  H   UNL     1       1.688  -2.815  -2.635  1.00  0.00           H  
HETATM   50  H   UNL     1       2.513  -2.846  -1.058  1.00  0.00           H  
HETATM   51  H   UNL     1       1.606   0.879  -2.957  1.00  0.00           H  
HETATM   52  H   UNL     1       1.102  -0.660  -3.695  1.00  0.00           H  
HETATM   53  H   UNL     1       0.290  -0.071  -2.225  1.00  0.00           H  
HETATM   54  H   UNL     1       6.881  -0.914  -1.214  1.00  0.00           H  
HETATM   55  H   UNL     1       8.468  -1.411  -0.577  1.00  0.00           H  
HETATM   56  H   UNL     1       7.158  -2.606  -0.732  1.00  0.00           H  
HETATM   57  H   UNL     1       7.407  -3.192   1.684  1.00  0.00           H  
HETATM   58  H   UNL     1       8.717  -1.997   1.839  1.00  0.00           H  
HETATM   59  H   UNL     1       7.308  -1.919   2.924  1.00  0.00           H  
HETATM   60  H   UNL     1       6.920   0.455   2.248  1.00  0.00           H  
HETATM   61  H   UNL     1       8.329   0.377   1.163  1.00  0.00           H  
HETATM   62  H   UNL     1       6.742   0.873   0.527  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.827   1.638  -2.249  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.180  -0.258  -1.562  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.077   1.978  -1.958  1.00  0.00           H  
HETATM   66  H   UNL     1       1.561   2.199  -1.270  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.146   4.280  -0.852  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.177   5.557   1.156  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.406   4.798   2.750  1.00  0.00           H  
HETATM   70  H   UNL     1       1.235   5.157   2.163  1.00  0.00           H  
HETATM   71  H   UNL     1       2.242   3.098   2.091  1.00  0.00           H  
HETATM   72  H   UNL     1       0.966   1.991   2.652  1.00  0.00           H  
HETATM   73  H   UNL     1       1.661   1.796   1.025  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.951   3.345   0.946  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.338  -1.333   1.192  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.605   0.970   1.015  1.00  0.00           H  
HETATM   77  H   UNL     1       2.954  -1.579   0.949  1.00  0.00           H  
HETATM   78  H   UNL     1       5.122  -2.090   1.647  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.777   3.633  -1.761  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.114  -3.986   1.520  1.00  0.00           H  
CONECT    1    3   27   37   38                                       
CONECT    2   19   27   39   40                                       
CONECT    3    1   33   41   42                                       
CONECT    4   29   26    6   43                                       
CONECT    5   27   33   36   36                                       
CONECT    6   35   35    4   28                                       
CONECT    7    8   30   18   44                                       
CONECT    8   11    9    7   10                                       
CONECT    9    8   45   46   47                                       
CONECT   10    8   48   49   50                                       
CONECT   11    8   51   52   53                                       
CONECT   12   13   31   15   14                                       
CONECT   13   12   54   55   56                                       
CONECT   14   12   57   58   59                                       
CONECT   15   12   60   61   62                                       
CONECT   16   20   20                                                 
CONECT   17   19   32   32   63                                       
CONECT   18    7   29   34   34                                       
CONECT   19   28   17    2   64                                       
CONECT   20   16   16   30   31                                       
CONECT   21   22   29   65   66                                       
CONECT   22   21   23   26   67                                       
CONECT   23   22   24   26   25                                       
CONECT   24   23   68   69   70                                       
CONECT   25   23   71   72   73                                       
CONECT   26   22   23    4   74                                       
CONECT   27    1    2    5   75                                       
CONECT   28    6   19   76                                            
CONECT   29   21   18    4                                            
CONECT   30    7   20   77                                            
CONECT   31   20   12   78                                            
CONECT   32   17   17   79                                            
CONECT   33    3    5   80                                            
CONECT   34   18   18                                                 
CONECT   35    6    6                                                 
CONECT   36    5    5                                                 
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    7                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   17                                                      
CONECT   64   19                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
