COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.823  -3.484  -1.447  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.902  -2.945  -0.256  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.649  -2.499   0.453  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.405  -1.015   0.174  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.153  -0.569   0.883  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.172   0.011   0.199  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.950   0.446   0.891  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.969   1.026   0.207  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.717   1.472   0.917  1.00  0.00           C  
HETATM   10  C   UNL     1       0.503   0.841   0.243  1.00  0.00           C  
HETATM   11  C   UNL     1       0.456  -0.678   0.422  1.00  0.00           C  
HETATM   12  C   UNL     1       1.780   1.390   0.882  1.00  0.00           C  
HETATM   13  C   UNL     1       2.981   0.863   0.139  1.00  0.00           C  
HETATM   14  O   UNL     1       2.830   0.125  -0.805  1.00  0.00           O  
HETATM   15  C   UNL     1       4.369   1.258   0.573  1.00  0.00           C  
HETATM   16  C   UNL     1       5.398   0.591  -0.341  1.00  0.00           C  
HETATM   17  O   UNL     1       5.258   1.102  -1.668  1.00  0.00           O  
HETATM   18  C   UNL     1       6.808   0.890   0.174  1.00  0.00           C  
HETATM   19  N   UNL     1       7.793   0.251  -0.701  1.00  0.00           N  
HETATM   20  C   UNL     1       9.109   0.380  -0.441  1.00  0.00           C  
HETATM   21  O   UNL     1       9.478   1.023   0.519  1.00  0.00           O  
HETATM   22  C   UNL     1      10.124  -0.277  -1.341  1.00  0.00           C  
HETATM   23  C   UNL     1       9.894  -1.790  -1.350  1.00  0.00           C  
HETATM   24  C   UNL     1      11.533   0.022  -0.826  1.00  0.00           C  
HETATM   25  C   UNL     1      11.762   1.535  -0.817  1.00  0.00           C  
HETATM   26  O   UNL     1      11.675  -0.497   0.522  1.00  0.00           O  
HETATM   27  C   UNL     1      12.906  -0.892   0.899  1.00  0.00           C  
HETATM   28  N   UNL     1      13.107  -1.384   2.137  1.00  0.00           N  
HETATM   29  O   UNL     1      13.836  -0.806   0.121  1.00  0.00           O  
HETATM   30  C   UNL     1      -9.244  -2.771   0.405  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.783  -1.371   0.104  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.076  -1.248  -1.392  1.00  0.00           C  
HETATM   33  C   UNL     1     -11.071  -1.139   0.897  1.00  0.00           C  
HETATM   34  C   UNL     1     -11.536   0.281   0.697  1.00  0.00           C  
HETATM   35  C   UNL     1     -10.978   1.384   1.558  1.00  0.00           C  
HETATM   36  C   UNL     1     -12.438   0.560  -0.241  1.00  0.00           C  
HETATM   37  C   UNL     1     -12.781   1.958  -0.538  1.00  0.00           C  
HETATM   38  O   UNL     1     -13.778   2.239  -1.400  1.00  0.00           O  
HETATM   39  O   UNL     1     -12.165   2.860  -0.006  1.00  0.00           O  
HETATM   40  H   UNL     1      -6.860  -3.609  -1.921  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.720  -3.808  -1.954  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.765  -2.653   1.526  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.800  -3.081   0.093  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.289  -0.862  -0.899  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.254  -0.433   0.534  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.052  -0.721   1.948  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.273   0.163  -0.865  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.849   0.294   1.956  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.070   1.178  -0.857  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.638   2.558   0.867  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.758   1.158   1.960  1.00  0.00           H  
HETATM   52  H   UNL     1       0.497   1.082  -0.820  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.454  -1.069  -0.034  1.00  0.00           H  
HETATM   54  H   UNL     1       1.325  -1.128  -0.058  1.00  0.00           H  
HETATM   55  H   UNL     1       0.462  -0.919   1.485  1.00  0.00           H  
HETATM   56  H   UNL     1       1.772   2.478   0.834  1.00  0.00           H  
HETATM   57  H   UNL     1       1.830   1.073   1.924  1.00  0.00           H  
HETATM   58  H   UNL     1       4.475   2.341   0.511  1.00  0.00           H  
HETATM   59  H   UNL     1       4.533   0.935   1.602  1.00  0.00           H  
HETATM   60  H   UNL     1       5.235  -0.487  -0.347  1.00  0.00           H  
HETATM   61  H   UNL     1       5.391   2.057  -1.738  1.00  0.00           H  
HETATM   62  H   UNL     1       6.971   1.967   0.181  1.00  0.00           H  
HETATM   63  H   UNL     1       6.915   0.500   1.187  1.00  0.00           H  
HETATM   64  H   UNL     1       7.499  -0.264  -1.469  1.00  0.00           H  
HETATM   65  H   UNL     1      10.017   0.112  -2.354  1.00  0.00           H  
HETATM   66  H   UNL     1      10.001  -2.180  -0.338  1.00  0.00           H  
HETATM   67  H   UNL     1       8.890  -2.003  -1.717  1.00  0.00           H  
HETATM   68  H   UNL     1      10.627  -2.265  -2.002  1.00  0.00           H  
HETATM   69  H   UNL     1      12.266  -0.453  -1.478  1.00  0.00           H  
HETATM   70  H   UNL     1      11.029   2.010  -0.166  1.00  0.00           H  
HETATM   71  H   UNL     1      12.766   1.747  -0.450  1.00  0.00           H  
HETATM   72  H   UNL     1      11.655   1.924  -1.830  1.00  0.00           H  
HETATM   73  H   UNL     1      13.994  -1.668   2.408  1.00  0.00           H  
HETATM   74  H   UNL     1      12.365  -1.453   2.758  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.939  -3.518   0.020  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.138  -2.895   1.483  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.041  -0.626   0.392  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.541  -0.283  -1.594  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.144  -1.326  -1.952  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.751  -2.047  -1.697  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.842  -1.826   0.547  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.883  -1.314   1.956  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.149   1.866   1.040  1.00  0.00           H  
HETATM   84  H   UNL     1     -11.758   2.119   1.758  1.00  0.00           H  
HETATM   85  H   UNL     1     -10.624   0.966   2.500  1.00  0.00           H  
HETATM   86  H   UNL     1     -12.918  -0.241  -0.784  1.00  0.00           H  
HETATM   87  H   UNL     1     -13.967   3.173  -1.564  1.00  0.00           H  
CONECT    1    2    2   40   41                                       
CONECT    2    1    1    3   30                                       
CONECT    3    4    2   42   43                                       
CONECT    4    3    5   44   45                                       
CONECT    5    4    6    6   46                                       
CONECT    6    5    5    7   47                                       
CONECT    7    6    8    8   48                                       
CONECT    8    7    7    9   49                                       
CONECT    9    8   10   50   51                                       
CONECT   10   12    9   11   52                                       
CONECT   11   10   53   54   55                                       
CONECT   12   10   13   56   57                                       
CONECT   13   14   14   12   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   58   59                                       
CONECT   16   17   15   18   60                                       
CONECT   17   16   61                                                 
CONECT   18   16   19   62   63                                       
CONECT   19   18   20   64                                            
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   24   23   65                                       
CONECT   23   22   66   67   68                                       
CONECT   24   26   22   25   69                                       
CONECT   25   24   70   71   72                                       
CONECT   26   27   24                                                 
CONECT   27   28   29   29   26                                       
CONECT   28   27   73   74                                            
CONECT   29   27   27                                                 
CONECT   30    2   31   75   76                                       
CONECT   31   30   32   33   77                                       
CONECT   32   31   78   79   80                                       
CONECT   33   31   34   81   82                                       
CONECT   34   33   36   36   35                                       
CONECT   35   34   83   84   85                                       
CONECT   36   34   34   37   86                                       
CONECT   37   39   39   36   38                                       
CONECT   38   37   87                                                 
CONECT   39   37   37                                                 
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   33                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
CONECT   87   38                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
