COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.329   0.596  -1.657  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.993   2.698   2.458  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.761   0.570  -3.581  1.00  0.00           C  
HETATM    4  C   UNL     1       5.264   4.613  -0.341  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.374   1.763  -1.675  1.00  0.00           C  
HETATM    6  C   UNL     1       4.705  -0.837  -0.821  1.00  0.00           C  
HETATM    7  C   UNL     1       6.023  -1.153  -0.110  1.00  0.00           C  
HETATM    8  C   UNL     1       6.961  -1.837  -1.071  1.00  0.00           C  
HETATM    9  C   UNL     1       4.563   2.340  -0.123  1.00  0.00           C  
HETATM   10  C   UNL     1       3.767  -0.153   0.139  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.098   1.675  -0.962  1.00  0.00           C  
HETATM   12  O   UNL     1      -5.663   2.774  -2.280  1.00  0.00           O  
HETATM   13  O   UNL     1      -2.985   0.968  -2.959  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.933   1.276  -1.639  1.00  0.00           C  
HETATM   15  C   UNL     1       3.712   1.282   0.443  1.00  0.00           C  
HETATM   16  C   UNL     1       2.811  -0.734   0.884  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.733   1.197  -0.953  1.00  0.00           C  
HETATM   18  O   UNL     1       4.389   3.621   0.258  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.364   1.420   1.127  1.00  0.00           C  
HETATM   20  O   UNL     1       5.423   2.060  -0.935  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.816   1.905   1.070  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.326  -1.050   0.757  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.255   0.056   1.811  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.519  -3.406   1.107  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.677   1.510   0.392  1.00  0.00           C  
HETATM   26  O   UNL     1       8.184  -2.210  -0.664  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.330  -2.415   1.449  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.258  -3.556   0.413  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.686  -2.677   2.138  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.699  -3.912   0.115  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.888  -3.607   1.039  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.297   2.454   2.111  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.434  -4.317  -0.013  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.614  -4.827  -1.002  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.249  -4.621  -0.939  1.00  0.00           C  
HETATM   36  C   UNL     1       1.078  -0.035   2.556  1.00  0.00           C  
HETATM   37  C   UNL     1       2.701   1.435   1.367  1.00  0.00           C  
HETATM   38  O   UNL     1      -5.142   2.388   1.071  1.00  0.00           O  
HETATM   39  C   UNL     1      -4.028   1.996   0.405  1.00  0.00           C  
HETATM   40  N   UNL     1       2.178   0.222   1.623  1.00  0.00           N  
HETATM   41  O   UNL     1       6.611  -2.051  -2.208  1.00  0.00           O  
HETATM   42  H   UNL     1      -5.864  -0.245  -1.144  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.241   0.882  -1.134  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.571   0.310  -2.680  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.280   3.515   2.574  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.957   2.997   2.869  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.628   1.819   2.990  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.377  -0.322  -3.087  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.942   0.353  -4.634  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.032   1.375  -3.496  1.00  0.00           H  
HETATM   51  H   UNL     1       5.019   5.599   0.052  1.00  0.00           H  
HETATM   52  H   UNL     1       6.301   4.374  -0.103  1.00  0.00           H  
HETATM   53  H   UNL     1       5.130   4.609  -1.423  1.00  0.00           H  
HETATM   54  H   UNL     1       4.898  -0.181  -1.670  1.00  0.00           H  
HETATM   55  H   UNL     1       4.252  -1.764  -1.174  1.00  0.00           H  
HETATM   56  H   UNL     1       6.476  -0.226   0.242  1.00  0.00           H  
HETATM   57  H   UNL     1       5.830  -1.809   0.738  1.00  0.00           H  
HETATM   58  H   UNL     1       2.581  -1.789   0.895  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.836   0.891  -1.472  1.00  0.00           H  
HETATM   60  H   UNL     1       0.457   1.539   0.419  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.760   2.147   2.121  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.240  -0.937   0.173  1.00  0.00           H  
HETATM   63  H   UNL     1       0.538  -0.980   0.097  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.076  -0.062   2.518  1.00  0.00           H  
HETATM   65  H   UNL     1       8.750  -2.645  -1.316  1.00  0.00           H  
HETATM   66  H   UNL     1       0.491  -2.487   2.163  1.00  0.00           H  
HETATM   67  H   UNL     1       0.242  -3.214  -0.493  1.00  0.00           H  
HETATM   68  H   UNL     1       0.266  -4.415   0.832  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.160  -1.734   2.411  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.546  -3.300   3.022  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.530  -3.209   1.810  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.999   2.411   2.775  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.502  -4.472  -0.063  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.039  -5.382  -1.824  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.609  -5.021  -1.711  1.00  0.00           H  
HETATM   76  H   UNL     1       1.099   0.706   3.355  1.00  0.00           H  
HETATM   77  H   UNL     1       1.189  -1.032   2.983  1.00  0.00           H  
HETATM   78  H   UNL     1       2.386   2.368   1.812  1.00  0.00           H  
CONECT    1    5   42   43   44                                       
CONECT    2   38   45   46   47                                       
CONECT    3   13   48   49   50                                       
CONECT    4   18   51   52   53                                       
CONECT    5    1   12   12   11                                       
CONECT    6   10    7   54   55                                       
CONECT    7    6    8   56   57                                       
CONECT    8    7   41   41   26                                       
CONECT    9   18   15   20   20                                       
CONECT   10   15   16   16    6                                       
CONECT   11    5   14   14   39                                       
CONECT   12    5    5                                                 
CONECT   13    3   14                                                 
CONECT   14   13   11   11   17                                       
CONECT   15    9   37   37   10                                       
CONECT   16   40   10   10   58                                       
CONECT   17   14   25   25   59                                       
CONECT   18    4    9                                                 
CONECT   19   25   23   32   60                                       
CONECT   20    9    9                                                 
CONECT   21   39   39   25   61                                       
CONECT   22   27   23   62   63                                       
CONECT   23   22   19   36   64                                       
CONECT   24   31   31   30   29                                       
CONECT   25   17   17   21   19                                       
CONECT   26    8   65                                                 
CONECT   27   28   29   22   66                                       
CONECT   28   30   27   67   68                                       
CONECT   29   24   27   69   70                                       
CONECT   30   35   35   24   28                                       
CONECT   31   33   24   24   71                                       
CONECT   32   19   72                                                 
CONECT   33   34   34   31   73                                       
CONECT   34   33   33   35   74                                       
CONECT   35   34   30   30   75                                       
CONECT   36   23   40   76   77                                       
CONECT   37   15   15   40   78                                       
CONECT   38   39    2                                                 
CONECT   39   11   38   21   21                                       
CONECT   40   37   36   16                                            
CONECT   41    8    8                                                 
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   19                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
