COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.977  -3.774  -0.176  1.00  0.00           C  
HETATM    2  C   UNL     1       4.760  -2.984  -1.470  1.00  0.00           C  
HETATM    3  C   UNL     1       4.786   0.746   0.635  1.00  0.00           C  
HETATM    4  O   UNL     1       6.128  -1.869   0.766  1.00  0.00           O  
HETATM    5  O   UNL     1       5.313  -2.679   3.401  1.00  0.00           O  
HETATM    6  O   UNL     1      -4.029  -1.841  -0.709  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.290  -0.811  -1.294  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.661  -0.198  -1.164  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.523  -1.066  -0.245  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.914  -0.444  -0.112  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.776  -1.312   0.807  1.00  0.00           C  
HETATM   12  N   UNL     1     -10.108  -0.717   0.933  1.00  0.00           N  
HETATM   13  C   UNL     1     -11.117  -1.016   0.106  1.00  0.00           C  
HETATM   14  O   UNL     1     -11.057  -1.794  -0.822  1.00  0.00           O  
HETATM   15  C   UNL     1     -12.345  -0.231   0.513  1.00  0.00           C  
HETATM   16  C   UNL     1     -11.865   0.583   1.732  1.00  0.00           C  
HETATM   17  C   UNL     1     -10.418   0.168   1.889  1.00  0.00           C  
HETATM   18  O   UNL     1      -9.660   0.574   2.743  1.00  0.00           O  
HETATM   19  N   UNL     1      -3.356  -0.215  -2.060  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.023  -0.811  -2.187  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.162   0.057  -3.106  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.949   1.332  -2.496  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.152   2.224  -3.277  1.00  0.00           C  
HETATM   24  C   UNL     1       0.009   3.550  -2.530  1.00  0.00           C  
HETATM   25  O   UNL     1       0.751   3.333  -1.328  1.00  0.00           O  
HETATM   26  C   UNL     1       0.959   4.515  -0.552  1.00  0.00           C  
HETATM   27  C   UNL     1       1.759   4.166   0.704  1.00  0.00           C  
HETATM   28  O   UNL     1       3.066   3.726   0.329  1.00  0.00           O  
HETATM   29  C   UNL     1       3.900   3.373   1.435  1.00  0.00           C  
HETATM   30  C   UNL     1       5.334   3.160   0.945  1.00  0.00           C  
HETATM   31  O   UNL     1       6.179   2.859   2.057  1.00  0.00           O  
HETATM   32  C   UNL     1       5.358   1.992  -0.047  1.00  0.00           C  
HETATM   33  O   UNL     1       6.704   1.739  -0.454  1.00  0.00           O  
HETATM   34  C   UNL     1       3.372   1.053   1.137  1.00  0.00           C  
HETATM   35  C   UNL     1       2.816  -0.169   1.872  1.00  0.00           C  
HETATM   36  O   UNL     1       1.463   0.083   2.257  1.00  0.00           O  
HETATM   37  O   UNL     1       3.417   2.167   2.030  1.00  0.00           O  
HETATM   38  O   UNL     1       4.736  -0.331  -0.303  1.00  0.00           O  
HETATM   39  C   UNL     1       5.955  -1.069  -0.406  1.00  0.00           C  
HETATM   40  C   UNL     1       5.067  -2.798   0.999  1.00  0.00           C  
HETATM   41  C   UNL     1       5.345  -3.575   2.288  1.00  0.00           C  
HETATM   42  O   UNL     1       6.192  -4.521  -0.271  1.00  0.00           O  
HETATM   43  O   UNL     1       3.514  -2.289  -1.402  1.00  0.00           O  
HETATM   44  C   UNL     1       5.901  -1.976  -1.638  1.00  0.00           C  
HETATM   45  O   UNL     1       7.140  -2.675  -1.771  1.00  0.00           O  
HETATM   46  H   UNL     1       4.141  -4.456  -0.021  1.00  0.00           H  
HETATM   47  H   UNL     1       4.750  -3.669  -2.318  1.00  0.00           H  
HETATM   48  H   UNL     1       5.419   0.468   1.477  1.00  0.00           H  
HETATM   49  H   UNL     1       5.481  -3.104   4.253  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.573   0.802  -0.741  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.127  -0.137  -2.147  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.611  -2.067  -0.668  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.057  -1.128   0.739  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.826   0.556   0.310  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.380  -0.383  -1.096  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.864  -2.313   0.384  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.310  -1.373   1.790  1.00  0.00           H  
HETATM   58  H   UNL     1     -12.660   0.433  -0.292  1.00  0.00           H  
HETATM   59  H   UNL     1     -13.154  -0.904   0.796  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.941   1.652   1.534  1.00  0.00           H  
HETATM   61  H   UNL     1     -12.436   0.316   2.621  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.565   0.609  -2.528  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.558  -0.872  -1.203  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.111  -1.812  -2.610  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.201  -0.431  -3.271  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.670   0.191  -4.061  1.00  0.00           H  
HETATM   67  H   UNL     1       0.830   1.781  -3.446  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.639   2.404  -4.235  1.00  0.00           H  
HETATM   69  H   UNL     1       0.541   4.261  -3.163  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.975   3.950  -2.283  1.00  0.00           H  
HETATM   71  H   UNL     1       1.510   5.246  -1.143  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.005   4.935  -0.264  1.00  0.00           H  
HETATM   73  H   UNL     1       1.841   5.048   1.339  1.00  0.00           H  
HETATM   74  H   UNL     1       1.250   3.372   1.250  1.00  0.00           H  
HETATM   75  H   UNL     1       3.883   4.175   2.173  1.00  0.00           H  
HETATM   76  H   UNL     1       5.689   4.065   0.452  1.00  0.00           H  
HETATM   77  H   UNL     1       6.208   3.554   2.728  1.00  0.00           H  
HETATM   78  H   UNL     1       4.753   2.242  -0.919  1.00  0.00           H  
HETATM   79  H   UNL     1       7.130   2.487  -0.894  1.00  0.00           H  
HETATM   80  H   UNL     1       2.729   1.291   0.290  1.00  0.00           H  
HETATM   81  H   UNL     1       2.851  -1.036   1.213  1.00  0.00           H  
HETATM   82  H   UNL     1       3.417  -0.363   2.760  1.00  0.00           H  
HETATM   83  H   UNL     1       1.046  -0.650   2.729  1.00  0.00           H  
HETATM   84  H   UNL     1       6.792  -0.377  -0.500  1.00  0.00           H  
HETATM   85  H   UNL     1       4.126  -2.258   1.096  1.00  0.00           H  
HETATM   86  H   UNL     1       6.327  -4.043   2.226  1.00  0.00           H  
HETATM   87  H   UNL     1       4.583  -4.344   2.419  1.00  0.00           H  
HETATM   88  H   UNL     1       6.207  -5.157  -0.999  1.00  0.00           H  
HETATM   89  H   UNL     1       3.311  -1.766  -2.190  1.00  0.00           H  
HETATM   90  H   UNL     1       5.725  -1.371  -2.528  1.00  0.00           H  
HETATM   91  H   UNL     1       7.908  -2.097  -1.881  1.00  0.00           H  
CONECT    1    2   40   42   46                                       
CONECT    2    1   43   44   47                                       
CONECT    3   32   34   38   48                                       
CONECT    4   39   40                                                 
CONECT    5   41   49                                                 
CONECT    6    7    7                                                 
CONECT    7    6    6    8   19                                       
CONECT    8    7    9   50   51                                       
CONECT    9    8   10   52   53                                       
CONECT   10    9   11   54   55                                       
CONECT   11   10   12   56   57                                       
CONECT   12   11   13   17                                            
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   58   59                                       
CONECT   16   15   17   60   61                                       
CONECT   17   12   16   18   18                                       
CONECT   18   17   17                                                 
CONECT   19    7   20   62                                            
CONECT   20   19   21   63   64                                       
CONECT   21   20   22   65   66                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   67   68                                       
CONECT   24   23   25   69   70                                       
CONECT   25   24   26                                                 
CONECT   26   25   27   71   72                                       
CONECT   27   26   28   73   74                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   37   75                                       
CONECT   30   29   31   32   76                                       
CONECT   31   30   77                                                 
CONECT   32    3   30   33   78                                       
CONECT   33   32   79                                                 
CONECT   34    3   35   37   80                                       
CONECT   35   34   36   81   82                                       
CONECT   36   35   83                                                 
CONECT   37   29   34                                                 
CONECT   38    3   39                                                 
CONECT   39    4   38   44   84                                       
CONECT   40    1    4   41   85                                       
CONECT   41    5   40   86   87                                       
CONECT   42    1   88                                                 
CONECT   43    2   89                                                 
CONECT   44    2   39   45   90                                       
CONECT   45   44   91                                                 
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    5                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   41                                                      
CONECT   87   41                                                      
CONECT   88   42                                                      
CONECT   89   43                                                      
CONECT   90   44                                                      
CONECT   91   45                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
