COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.776   3.559   0.051  1.00  0.00           O  
HETATM    2  C   UNL     1       5.645   3.001   0.512  1.00  0.00           C  
HETATM    3  O   UNL     1       5.698   2.132   1.350  1.00  0.00           O  
HETATM    4  C   UNL     1       4.310   3.460  -0.014  1.00  0.00           C  
HETATM    5  C   UNL     1       3.193   2.670   0.671  1.00  0.00           C  
HETATM    6  C   UNL     1       1.835   3.220   0.230  1.00  0.00           C  
HETATM    7  C   UNL     1       1.258   2.333  -0.843  1.00  0.00           C  
HETATM    8  C   UNL     1       1.353   2.703  -2.171  1.00  0.00           C  
HETATM    9  C   UNL     1       0.823   1.889  -3.155  1.00  0.00           C  
HETATM   10  C   UNL     1       0.199   0.705  -2.811  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.380  -0.182  -3.883  1.00  0.00           C  
HETATM   12  C   UNL     1       0.289  -1.531  -3.834  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.069  -2.490  -4.703  1.00  0.00           O  
HETATM   14  O   UNL     1       1.147  -1.750  -3.012  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.860  -0.346  -3.655  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.589  -1.100  -4.493  1.00  0.00           O  
HETATM   17  O   UNL     1      -2.391   0.201  -2.717  1.00  0.00           O  
HETATM   18  C   UNL     1       0.104   0.335  -1.482  1.00  0.00           C  
HETATM   19  C   UNL     1       0.638   1.146  -0.499  1.00  0.00           C  
HETATM   20  C   UNL     1       0.900   3.254   1.411  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.349   2.887   1.268  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.284   2.920   2.449  1.00  0.00           C  
HETATM   23  C   UNL     1       3.296   1.217   0.286  1.00  0.00           C  
HETATM   24  O   UNL     1       3.226   0.876  -0.876  1.00  0.00           O  
HETATM   25  N   UNL     1       3.471   0.289   1.281  1.00  0.00           N  
HETATM   26  C   UNL     1       3.577  -1.109   0.797  1.00  0.00           C  
HETATM   27  C   UNL     1       4.922  -1.685   1.241  1.00  0.00           C  
HETATM   28  C   UNL     1       5.059  -3.118   0.722  1.00  0.00           C  
HETATM   29  C   UNL     1       4.979  -3.117  -0.806  1.00  0.00           C  
HETATM   30  C   UNL     1       3.629  -2.546  -1.245  1.00  0.00           C  
HETATM   31  C   UNL     1       3.490  -1.112  -0.729  1.00  0.00           C  
HETATM   32  C   UNL     1       2.453  -1.920   1.378  1.00  0.00           C  
HETATM   33  O   UNL     1       2.660  -3.039   1.797  1.00  0.00           O  
HETATM   34  N   UNL     1       1.200  -1.386   1.431  1.00  0.00           N  
HETATM   35  C   UNL     1       0.149  -2.262   1.993  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.533  -3.035   0.863  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.491  -4.040   1.449  1.00  0.00           C  
HETATM   38  N   UNL     1      -2.303  -4.749   0.640  1.00  0.00           N  
HETATM   39  O   UNL     1      -1.530  -4.212   2.649  1.00  0.00           O  
HETATM   40  C   UNL     1      -0.868  -1.410   2.707  1.00  0.00           C  
HETATM   41  O   UNL     1      -1.467  -1.840   3.670  1.00  0.00           O  
HETATM   42  N   UNL     1      -1.103  -0.143   2.253  1.00  0.00           N  
HETATM   43  C   UNL     1      -2.119   0.630   2.999  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.419   1.918   2.230  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.541   1.604   0.738  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.735   0.715   0.507  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.580  -0.637   0.446  1.00  0.00           C  
HETATM   48  C   UNL     1      -4.672  -1.475   0.234  1.00  0.00           C  
HETATM   49  C   UNL     1      -5.926  -0.968   0.082  1.00  0.00           C  
HETATM   50  C   UNL     1      -6.126   0.422   0.140  1.00  0.00           C  
HETATM   51  C   UNL     1      -5.015   1.275   0.361  1.00  0.00           C  
HETATM   52  C   UNL     1      -5.214   2.665   0.413  1.00  0.00           C  
HETATM   53  C   UNL     1      -6.468   3.172   0.261  1.00  0.00           C  
HETATM   54  C   UNL     1      -7.561   2.333   0.049  1.00  0.00           C  
HETATM   55  C   UNL     1      -7.406   0.982  -0.012  1.00  0.00           C  
HETATM   56  H   UNL     1       7.633   3.265   0.389  1.00  0.00           H  
HETATM   57  H   UNL     1       4.266   3.291  -1.090  1.00  0.00           H  
HETATM   58  H   UNL     1       4.183   4.522   0.192  1.00  0.00           H  
HETATM   59  H   UNL     1       3.290   2.767   1.752  1.00  0.00           H  
HETATM   60  H   UNL     1       1.962   4.229  -0.162  1.00  0.00           H  
HETATM   61  H   UNL     1       1.840   3.628  -2.440  1.00  0.00           H  
HETATM   62  H   UNL     1       0.897   2.179  -4.193  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.211   0.272  -4.860  1.00  0.00           H  
HETATM   64  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.539  -1.205  -4.346  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.384  -0.591  -1.213  1.00  0.00           H  
HETATM   67  H   UNL     1       0.564   0.857   0.539  1.00  0.00           H  
HETATM   68  H   UNL     1       1.260   3.582   2.375  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.709   2.558   0.304  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.736   2.656   3.354  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.699   3.922   2.556  1.00  0.00           H  
HETATM   72  H   UNL     1       3.521   0.526   2.220  1.00  0.00           H  
HETATM   73  H   UNL     1       5.729  -1.073   0.838  1.00  0.00           H  
HETATM   74  H   UNL     1       4.975  -1.686   2.330  1.00  0.00           H  
HETATM   75  H   UNL     1       6.020  -3.527   1.035  1.00  0.00           H  
HETATM   76  H   UNL     1       4.254  -3.730   1.128  1.00  0.00           H  
HETATM   77  H   UNL     1       5.783  -2.504  -1.212  1.00  0.00           H  
HETATM   78  H   UNL     1       5.079  -4.138  -1.175  1.00  0.00           H  
HETATM   79  H   UNL     1       3.571  -2.547  -2.334  1.00  0.00           H  
HETATM   80  H   UNL     1       2.825  -3.158  -0.838  1.00  0.00           H  
HETATM   81  H   UNL     1       2.527  -0.706  -1.038  1.00  0.00           H  
HETATM   82  H   UNL     1       4.292  -0.498  -1.140  1.00  0.00           H  
HETATM   83  H   UNL     1       1.009  -0.488   1.118  1.00  0.00           H  
HETATM   84  H   UNL     1       0.597  -2.963   2.697  1.00  0.00           H  
HETATM   85  H   UNL     1       0.221  -3.554   0.271  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.080  -2.340   0.226  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.919  -5.396   1.017  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.274  -4.608  -0.320  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.634   0.226   1.488  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.736   0.876   3.989  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.031   0.040   3.094  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.355   2.346   2.589  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.667   2.533   0.180  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.638   1.096   0.398  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.596  -1.065   0.563  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.522  -2.544   0.189  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.764  -1.630  -0.082  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.377   3.327   0.575  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.618   4.241   0.305  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.545   2.761  -0.068  1.00  0.00           H  
HETATM  101  H   UNL     1      -8.262   0.345  -0.178  1.00  0.00           H  
CONECT    1    2   56                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   57   58                                       
CONECT    5    4    6   23   59                                       
CONECT    6    5    7   20   60                                       
CONECT    7    6    8   19   19                                       
CONECT    8    7    9    9   61                                       
CONECT    9    8    8   10   62                                       
CONECT   10    9   11   18   18                                       
CONECT   11   10   12   15   63                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   64                                                 
CONECT   15   11   16   17   17                                       
CONECT   16   15   65                                                 
CONECT   17   15   15                                                 
CONECT   18   10   10   19   66                                       
CONECT   19    7    7   18   67                                       
CONECT   20    6   21   21   68                                       
CONECT   21   20   20   22   69                                       
CONECT   22   21   44   70   71                                       
CONECT   23    5   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   72                                            
CONECT   26   25   27   31   32                                       
CONECT   27   26   28   73   74                                       
CONECT   28   27   29   75   76                                       
CONECT   29   28   30   77   78                                       
CONECT   30   29   31   79   80                                       
CONECT   31   26   30   81   82                                       
CONECT   32   26   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   35   83                                            
CONECT   35   34   36   40   84                                       
CONECT   36   35   37   85   86                                       
CONECT   37   36   38   39   39                                       
CONECT   38   37   87   88                                            
CONECT   39   37   37                                                 
CONECT   40   35   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40   43   89                                            
CONECT   43   42   44   90   91                                       
CONECT   44   22   43   45   92                                       
CONECT   45   44   46   93   94                                       
CONECT   46   45   47   51   51                                       
CONECT   47   46   48   48   95                                       
CONECT   48   47   47   49   96                                       
CONECT   49   48   50   50   97                                       
CONECT   50   49   49   51   55                                       
CONECT   51   46   46   50   52                                       
CONECT   52   51   53   53   98                                       
CONECT   53   52   52   54   99                                       
CONECT   54   53   55   55  100                                       
CONECT   55   50   54   54  101                                       
CONECT   56    1                                                      
CONECT   57    4                                                      
CONECT   58    4                                                      
CONECT   59    5                                                      
CONECT   60    6                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63   11                                                      
CONECT   64   14                                                      
CONECT   65   16                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   25                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   38                                                      
CONECT   88   38                                                      
CONECT   89   42                                                      
CONECT   90   43                                                      
CONECT   91   43                                                      
CONECT   92   44                                                      
CONECT   93   45                                                      
CONECT   94   45                                                      
CONECT   95   47                                                      
CONECT   96   48                                                      
CONECT   97   49                                                      
CONECT   98   52                                                      
CONECT   99   53                                                      
CONECT  100   54                                                      
CONECT  101   55                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
