COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.895   2.280  -0.132  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.159   2.383   1.244  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.248   1.718   1.794  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.071   0.958   0.997  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.818   0.847  -0.377  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.729   1.510  -0.940  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.704   0.030  -1.226  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.744   2.989  -0.720  1.00  0.00           C  
HETATM    9  O   UNL     1      -8.724   0.206  -2.428  1.00  0.00           O  
HETATM   10  N   UNL     1      -9.491  -0.911  -0.670  1.00  0.00           N  
HETATM   11  O   UNL     1      -4.920   4.007  -1.359  1.00  0.00           O  
HETATM   12  N   UNL     1      -3.497   2.508  -0.548  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.180   1.436   0.231  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.823   1.236   0.167  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.294   2.284  -0.731  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.379   3.023  -1.135  1.00  0.00           C  
HETATM   17  C   UNL     1     -10.648  -1.379  -1.219  1.00  0.00           C  
HETATM   18  C   UNL     1     -11.179  -2.326  -0.378  1.00  0.00           C  
HETATM   19  C   UNL     1     -10.250  -2.424   0.768  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.238  -1.531   0.517  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.917   0.311   0.737  1.00  0.00           C  
HETATM   22  C   UNL     1       0.403   0.405   0.451  1.00  0.00           C  
HETATM   23  C   UNL     1       0.908   1.399  -0.401  1.00  0.00           C  
HETATM   24  C   UNL     1       0.097   2.321  -0.985  1.00  0.00           C  
HETATM   25  C   UNL     1     -12.328  -3.149  -0.391  1.00  0.00           C  
HETATM   26  C   UNL     1     -12.550  -4.001   0.639  1.00  0.00           C  
HETATM   27  C   UNL     1     -11.671  -4.094   1.725  1.00  0.00           C  
HETATM   28  C   UNL     1     -10.550  -3.337   1.806  1.00  0.00           C  
HETATM   29  O   UNL     1       2.243   1.441  -0.651  1.00  0.00           O  
HETATM   30  C   UNL     1       5.384  -0.403   0.271  1.00  0.00           C  
HETATM   31  P   UNL     1       7.172  -0.152  -0.215  1.00  0.00           P  
HETATM   32  C   UNL     1       8.273   0.959   0.810  1.00  0.00           C  
HETATM   33  C   UNL     1       7.860  -1.012  -1.726  1.00  0.00           C  
HETATM   34  C   UNL     1       7.665  -1.614   0.841  1.00  0.00           C  
HETATM   35  C   UNL     1       8.992  -1.994   0.921  1.00  0.00           C  
HETATM   36  C   UNL     1       9.356  -3.075   1.702  1.00  0.00           C  
HETATM   37  C   UNL     1       8.393  -3.776   2.404  1.00  0.00           C  
HETATM   38  C   UNL     1       7.066  -3.396   2.324  1.00  0.00           C  
HETATM   39  C   UNL     1       6.703  -2.312   1.548  1.00  0.00           C  
HETATM   40  C   UNL     1       9.227  -1.122  -1.897  1.00  0.00           C  
HETATM   41  C   UNL     1       9.736  -1.758  -3.014  1.00  0.00           C  
HETATM   42  C   UNL     1       8.877  -2.283  -3.961  1.00  0.00           C  
HETATM   43  C   UNL     1       7.509  -2.174  -3.790  1.00  0.00           C  
HETATM   44  C   UNL     1       7.001  -1.543  -2.670  1.00  0.00           C  
HETATM   45  C   UNL     1       7.829   1.438   2.028  1.00  0.00           C  
HETATM   46  C   UNL     1       8.642   2.260   2.786  1.00  0.00           C  
HETATM   47  C   UNL     1       9.900   2.602   2.326  1.00  0.00           C  
HETATM   48  C   UNL     1      10.344   2.122   1.108  1.00  0.00           C  
HETATM   49  C   UNL     1       9.533   1.298   0.352  1.00  0.00           C  
HETATM   50  C   UNL     1       4.517   0.657  -0.411  1.00  0.00           C  
HETATM   51  C   UNL     1       3.054   0.451  -0.014  1.00  0.00           C  
HETATM   52  O   UNL     1      -5.351   3.130   2.034  1.00  0.00           O  
HETATM   53  H   UNL     1      -7.449   1.799   2.852  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.916   0.443   1.431  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.535   1.430  -2.000  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.879   0.844   0.803  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.350   3.873  -1.801  1.00  0.00           H  
HETATM   58  H   UNL     1     -11.075  -1.058  -2.157  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.385  -1.349   1.154  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.277  -0.465   1.397  1.00  0.00           H  
HETATM   61  H   UNL     1       1.087  -0.306   0.891  1.00  0.00           H  
HETATM   62  H   UNL     1       0.511   3.075  -1.637  1.00  0.00           H  
HETATM   63  H   UNL     1     -13.024  -3.099  -1.215  1.00  0.00           H  
HETATM   64  H   UNL     1     -13.430  -4.627   0.622  1.00  0.00           H  
HETATM   65  H   UNL     1     -11.894  -4.788   2.522  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.890  -3.431   2.656  1.00  0.00           H  
HETATM   67  H   UNL     1       5.059  -1.395  -0.041  1.00  0.00           H  
HETATM   68  H   UNL     1       5.286  -0.312   1.353  1.00  0.00           H  
HETATM   69  H   UNL     1       9.744  -1.446   0.372  1.00  0.00           H  
HETATM   70  H   UNL     1      10.392  -3.372   1.763  1.00  0.00           H  
HETATM   71  H   UNL     1       8.677  -4.621   3.013  1.00  0.00           H  
HETATM   72  H   UNL     1       6.314  -3.944   2.872  1.00  0.00           H  
HETATM   73  H   UNL     1       5.666  -2.015   1.486  1.00  0.00           H  
HETATM   74  H   UNL     1       9.899  -0.711  -1.157  1.00  0.00           H  
HETATM   75  H   UNL     1      10.804  -1.844  -3.147  1.00  0.00           H  
HETATM   76  H   UNL     1       9.274  -2.776  -4.836  1.00  0.00           H  
HETATM   77  H   UNL     1       6.838  -2.584  -4.530  1.00  0.00           H  
HETATM   78  H   UNL     1       5.933  -1.457  -2.537  1.00  0.00           H  
HETATM   79  H   UNL     1       6.846   1.171   2.388  1.00  0.00           H  
HETATM   80  H   UNL     1       8.295   2.635   3.738  1.00  0.00           H  
HETATM   81  H   UNL     1      10.535   3.244   2.917  1.00  0.00           H  
HETATM   82  H   UNL     1      11.327   2.390   0.748  1.00  0.00           H  
HETATM   83  H   UNL     1       9.881   0.920  -0.598  1.00  0.00           H  
HETATM   84  H   UNL     1       4.842   1.649  -0.099  1.00  0.00           H  
HETATM   85  H   UNL     1       4.615   0.566  -1.493  1.00  0.00           H  
HETATM   86  H   UNL     1       2.955   0.543   1.068  1.00  0.00           H  
HETATM   87  H   UNL     1       2.728  -0.541  -0.326  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.624   4.054   2.113  1.00  0.00           H  
CONECT    1    2    2    6    8                                       
CONECT    2    3   52    1    1                                       
CONECT    3    4    4    2   53                                       
CONECT    4    3    3    5   54                                       
CONECT    5    4    7    6    6                                       
CONECT    6    5    5    1   55                                       
CONECT    7    9    9    5   10                                       
CONECT    8   12    1   11   11                                       
CONECT    9    7    7                                                 
CONECT   10    7   17   20                                            
CONECT   11    8    8                                                 
CONECT   12   16   13    8                                            
CONECT   13   14   14   12   56                                       
CONECT   14   15   21   13   13                                       
CONECT   15   24   16   16   14                                       
CONECT   16   15   15   12   57                                       
CONECT   17   10   18   18   58                                       
CONECT   18   17   17   19   25                                       
CONECT   19   20   20   18   28                                       
CONECT   20   10   19   19   59                                       
CONECT   21   22   22   14   60                                       
CONECT   22   23   21   21   61                                       
CONECT   23   29   24   24   22                                       
CONECT   24   23   23   15   62                                       
CONECT   25   18   26   26   63                                       
CONECT   26   25   25   27   64                                       
CONECT   27   28   28   26   65                                       
CONECT   28   19   27   27   66                                       
CONECT   29   51   23                                                 
CONECT   30   31   50   67   68                                       
CONECT   31   33   34   32   30                                       
CONECT   32   45   31   49   49                                       
CONECT   33   44   44   40   31                                       
CONECT   34   39   31   35   35                                       
CONECT   35   34   34   36   69                                       
CONECT   36   37   37   35   70                                       
CONECT   37   38   36   36   71                                       
CONECT   38   39   39   37   72                                       
CONECT   39   38   38   34   73                                       
CONECT   40   41   41   33   74                                       
CONECT   41   42   40   40   75                                       
CONECT   42   43   43   41   76                                       
CONECT   43   42   42   44   77                                       
CONECT   44   43   33   33   78                                       
CONECT   45   46   46   32   79                                       
CONECT   46   45   45   47   80                                       
CONECT   47   46   48   48   81                                       
CONECT   48   47   47   49   82                                       
CONECT   49   32   32   48   83                                       
CONECT   50   51   30   84   85                                       
CONECT   51   29   50   86   87                                       
CONECT   52    2   88                                                 
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    6                                                      
CONECT   56   13                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
CONECT   73   39                                                      
CONECT   74   40                                                      
CONECT   75   41                                                      
CONECT   76   42                                                      
CONECT   77   43                                                      
CONECT   78   44                                                      
CONECT   79   45                                                      
CONECT   80   46                                                      
CONECT   81   47                                                      
CONECT   82   48                                                      
CONECT   83   49                                                      
CONECT   84   50                                                      
CONECT   85   50                                                      
CONECT   86   51                                                      
CONECT   87   51                                                      
CONECT   88   52                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
