COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.894  -0.090   0.114  1.00  0.00           C  
HETATM    2  C   UNL     1       5.202  -1.574   0.327  1.00  0.00           C  
HETATM    3  C   UNL     1       4.194  -2.422  -0.451  1.00  0.00           C  
HETATM    4  C   UNL     1       9.558   1.349   0.531  1.00  0.00           C  
HETATM    5  C   UNL     1      10.604   2.116   1.299  1.00  0.00           C  
HETATM    6  N   UNL     1       8.352   1.115   1.084  1.00  0.00           N  
HETATM    7  C   UNL     1       5.943   0.752   0.846  1.00  0.00           C  
HETATM    8  C   UNL     1       7.550  -1.133   0.543  1.00  0.00           C  
HETATM    9  C   UNL     1       7.336   0.369   0.338  1.00  0.00           C  
HETATM   10  C   UNL     1       9.173  -2.873   0.260  1.00  0.00           C  
HETATM   11  C   UNL     1      10.530  -3.158  -0.331  1.00  0.00           C  
HETATM   12  C   UNL     1      11.417  -3.830   0.359  1.00  0.00           C  
HETATM   13  C   UNL     1       0.140   0.614  -0.784  1.00  0.00           C  
HETATM   14  C   UNL     1       0.470   1.874  -1.592  1.00  0.00           C  
HETATM   15  C   UNL     1       1.874   1.736  -2.186  1.00  0.00           C  
HETATM   16  C   UNL     1       2.586   0.336  -0.373  1.00  0.00           C  
HETATM   17  C   UNL     1       1.210   0.417   0.294  1.00  0.00           C  
HETATM   18  C   UNL     1       2.235   3.015  -2.944  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.843  -0.466   0.021  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.172  -0.191   0.675  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.659   1.017   1.042  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.784   1.798   2.127  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.126   1.684   1.451  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.097   0.862   1.983  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.339   0.757   1.355  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.590   1.486   0.192  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.610   2.304  -0.330  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.383   2.408   0.300  1.00  0.00           C  
HETATM   29  C   UNL     1     -10.385  -0.122   1.920  1.00  0.00           C  
HETATM   30  C   UNL     1     -11.173  -0.818   1.113  1.00  0.00           C  
HETATM   31  C   UNL     1     -10.892  -0.854  -0.367  1.00  0.00           C  
HETATM   32  C   UNL     1     -11.686  -2.693  -1.687  1.00  0.00           C  
HETATM   33  N   UNL     1      -4.876   0.783   1.586  1.00  0.00           N  
HETATM   34  N   UNL     1      -5.100  -0.484   1.545  1.00  0.00           N  
HETATM   35  N   UNL     1      -4.105  -1.092   1.003  1.00  0.00           N  
HETATM   36  N   UNL     1     -10.823  -2.246  -0.818  1.00  0.00           N  
HETATM   37  N   UNL     1     -12.580  -1.830  -2.275  1.00  0.00           N  
HETATM   38  N   UNL     1     -11.702  -4.028  -2.014  1.00  0.00           N  
HETATM   39  O   UNL     1       8.825  -1.508   0.020  1.00  0.00           O  
HETATM   40  O   UNL     1       5.706   2.138   0.592  1.00  0.00           O  
HETATM   41  O   UNL     1       3.595   0.208   0.630  1.00  0.00           O  
HETATM   42  O   UNL     1       6.523  -1.857  -0.139  1.00  0.00           O  
HETATM   43  O   UNL     1       4.405  -3.804  -0.155  1.00  0.00           O  
HETATM   44  O   UNL     1       9.802   0.942  -0.586  1.00  0.00           O  
HETATM   45  O   UNL     1       2.816   1.524  -1.133  1.00  0.00           O  
HETATM   46  O   UNL     1       0.952  -0.794   1.007  1.00  0.00           O  
HETATM   47  O   UNL     1       0.424   3.016  -0.734  1.00  0.00           O  
HETATM   48  O   UNL     1       3.495   2.843  -3.596  1.00  0.00           O  
HETATM   49  O   UNL     1      -1.141   0.764  -0.167  1.00  0.00           O  
HETATM   50  H   UNL     1       4.923   0.139  -0.952  1.00  0.00           H  
HETATM   51  H   UNL     1       5.133  -1.810   1.389  1.00  0.00           H  
HETATM   52  H   UNL     1       3.182  -2.138  -0.163  1.00  0.00           H  
HETATM   53  H   UNL     1       4.327  -2.255  -1.520  1.00  0.00           H  
HETATM   54  H   UNL     1      11.506   2.205   0.694  1.00  0.00           H  
HETATM   55  H   UNL     1      10.224   3.111   1.534  1.00  0.00           H  
HETATM   56  H   UNL     1      10.836   1.587   2.223  1.00  0.00           H  
HETATM   57  H   UNL     1       8.156   1.440   1.977  1.00  0.00           H  
HETATM   58  H   UNL     1       5.880   0.561   1.918  1.00  0.00           H  
HETATM   59  H   UNL     1       7.511  -1.364   1.608  1.00  0.00           H  
HETATM   60  H   UNL     1       7.415   0.608  -0.723  1.00  0.00           H  
HETATM   61  H   UNL     1       8.431  -3.524  -0.202  1.00  0.00           H  
HETATM   62  H   UNL     1       9.199  -3.058   1.334  1.00  0.00           H  
HETATM   63  H   UNL     1      10.770  -2.807  -1.324  1.00  0.00           H  
HETATM   64  H   UNL     1      11.177  -4.181   1.352  1.00  0.00           H  
HETATM   65  H   UNL     1      12.390  -4.034  -0.065  1.00  0.00           H  
HETATM   66  H   UNL     1       0.126  -0.251  -1.447  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.256   1.991  -2.396  1.00  0.00           H  
HETATM   68  H   UNL     1       1.897   0.888  -2.871  1.00  0.00           H  
HETATM   69  H   UNL     1       2.618  -0.530  -1.034  1.00  0.00           H  
HETATM   70  H   UNL     1       1.189   1.259   0.986  1.00  0.00           H  
HETATM   71  H   UNL     1       1.467   3.225  -3.688  1.00  0.00           H  
HETATM   72  H   UNL     1       2.299   3.847  -2.243  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.254  -1.127   0.658  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.005  -0.943  -0.946  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.174   1.975   0.925  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.369   2.790   1.946  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.904   1.644   3.199  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.897   0.301   2.884  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.549   1.409  -0.299  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.802   2.869  -1.231  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.619   3.050  -0.113  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.691  -0.338  -0.901  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.942  -0.359  -0.569  1.00  0.00           H  
HETATM   84  H   UNL     1     -12.502  -0.875  -2.125  1.00  0.00           H  
HETATM   85  H   UNL     1     -13.288  -2.176  -2.840  1.00  0.00           H  
HETATM   86  H   UNL     1     -11.072  -4.637  -1.599  1.00  0.00           H  
HETATM   87  H   UNL     1       6.338   2.731   1.021  1.00  0.00           H  
HETATM   88  H   UNL     1       3.799  -4.401  -0.614  1.00  0.00           H  
HETATM   89  H   UNL     1       1.593  -0.983   1.706  1.00  0.00           H  
HETATM   90  H   UNL     1       0.623   3.851  -1.181  1.00  0.00           H  
HETATM   91  H   UNL     1       3.787   3.616  -4.097  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.507  -0.197   2.991  1.00  0.00           H  
HETATM   93  H   UNL     1     -12.015  -1.360   1.516  1.00  0.00           H  
HETATM   94  H   UNL     1     -12.344  -4.361  -2.661  1.00  0.00           H  
CONECT    1    7   41    2   50                                       
CONECT    2    1   42    3   51                                       
CONECT    3    2   43   52   53                                       
CONECT    4    5    6   44   44                                       
CONECT    5    4   54   55   56                                       
CONECT    6    4    9   57                                            
CONECT    7   40    9    1   58                                       
CONECT    8    9   39   42   59                                       
CONECT    9    6    7    8   60                                       
CONECT   10   11   39   61   62                                       
CONECT   11   12   12   10   63                                       
CONECT   12   11   11   64   65                                       
CONECT   13   49   17   14   66                                       
CONECT   14   47   13   15   67                                       
CONECT   15   14   45   18   68                                       
CONECT   16   41   17   45   69                                       
CONECT   17   46   13   16   70                                       
CONECT   18   15   48   71   72                                       
CONECT   19   20   49   73   74                                       
CONECT   20   21   21   35   19                                       
CONECT   21   33   20   20   75                                       
CONECT   22   23   33   76   77                                       
CONECT   23   24   24   28   22                                       
CONECT   24   25   23   23   78                                       
CONECT   25   29   26   26   24                                       
CONECT   26   25   25   27   79                                       
CONECT   27   26   28   28   80                                       
CONECT   28   27   27   23   81                                       
CONECT   29   30   30   25   92                                       
CONECT   30   31   29   29   93                                       
CONECT   31   36   30   82   83                                       
CONECT   32   38   36   36   37                                       
CONECT   33   22   34   21                                            
CONECT   34   33   35   35                                            
CONECT   35   34   34   20                                            
CONECT   36   32   32   31                                            
CONECT   37   32   84   85                                            
CONECT   38   32   86   94                                            
CONECT   39   10    8                                                 
CONECT   40    7   87                                                 
CONECT   41    1   16                                                 
CONECT   42    8    2                                                 
CONECT   43    3   88                                                 
CONECT   44    4    4                                                 
CONECT   45   16   15                                                 
CONECT   46   17   89                                                 
CONECT   47   14   90                                                 
CONECT   48   18   91                                                 
CONECT   49   13   19                                                 
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   12                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   18                                                      
CONECT   73   19                                                      
CONECT   74   19                                                      
CONECT   75   21                                                      
CONECT   76   22                                                      
CONECT   77   22                                                      
CONECT   78   24                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
CONECT   87   40                                                      
CONECT   88   43                                                      
CONECT   89   46                                                      
CONECT   90   47                                                      
CONECT   91   48                                                      
CONECT   92   29                                                      
CONECT   93   30                                                      
CONECT   94   38                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
