COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.480   2.023   7.606  1.00  0.00           O  
HETATM    2  C   UNL     1       1.576  -0.998   7.405  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.475   3.675   9.073  1.00  0.00           O  
HETATM    4  C   UNL     1       1.062  -1.572   6.279  1.00  0.00           C  
HETATM    5  C   UNL     1       0.027  -0.954   5.581  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.492   0.254   6.016  1.00  0.00           C  
HETATM    7  C   UNL     1       0.014   0.848   7.162  1.00  0.00           C  
HETATM    8  C   UNL     1       1.049   2.040   9.460  1.00  0.00           C  
HETATM    9  C   UNL     1       1.592   0.859   9.068  1.00  0.00           C  
HETATM   10  C   UNL     1       1.060   0.219   7.863  1.00  0.00           C  
HETATM   11  C   UNL     1       0.002   2.615   8.710  1.00  0.00           C  
HETATM   12  C   UNL     1       2.711   0.223   9.852  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.473  -1.538   4.463  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.421  -0.623   3.908  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.158  -1.296   2.748  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.137  -1.727   1.690  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.287  -0.511   1.305  1.00  0.00           C  
HETATM   18  C   UNL     1       0.309   0.104   2.573  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.738   0.537   3.438  1.00  0.00           O  
HETATM   20  N   UNL     1      -2.880  -2.472   3.240  1.00  0.00           N  
HETATM   21  C   UNL     1       1.185   1.300   2.196  1.00  0.00           C  
HETATM   22  O   UNL     1       1.836   1.801   3.365  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.152  -2.351   3.670  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.699  -1.268   3.649  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.895  -3.560   4.176  1.00  0.00           C  
HETATM   26  O   UNL     1       0.767  -0.922   0.432  1.00  0.00           O  
HETATM   27  O   UNL     1      -1.818  -2.221   0.534  1.00  0.00           O  
HETATM   28  C   UNL     1       0.653  -0.132  -0.753  1.00  0.00           C  
HETATM   29  C   UNL     1       1.856  -0.399  -1.660  1.00  0.00           C  
HETATM   30  C   UNL     1       1.741   0.475  -2.913  1.00  0.00           C  
HETATM   31  C   UNL     1       0.371   0.233  -3.557  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.720   0.452  -2.507  1.00  0.00           C  
HETATM   33  O   UNL     1      -0.552  -0.473  -1.435  1.00  0.00           O  
HETATM   34  N   UNL     1       3.093  -0.074  -0.946  1.00  0.00           N  
HETATM   35  O   UNL     1       0.183   1.147  -4.639  1.00  0.00           O  
HETATM   36  C   UNL     1      -2.094   0.243  -3.148  1.00  0.00           C  
HETATM   37  O   UNL     1      -3.115   0.540  -2.194  1.00  0.00           O  
HETATM   38  C   UNL     1       3.724  -1.021  -0.225  1.00  0.00           C  
HETATM   39  O   UNL     1       3.268  -2.144  -0.167  1.00  0.00           O  
HETATM   40  C   UNL     1       4.997  -0.687   0.508  1.00  0.00           C  
HETATM   41  O   UNL     1       2.773   0.131  -3.839  1.00  0.00           O  
HETATM   42  C   UNL     1      -0.100   0.361  -5.798  1.00  0.00           C  
HETATM   43  C   UNL     1      -0.509   1.282  -6.951  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.842   0.428  -8.180  1.00  0.00           C  
HETATM   45  C   UNL     1       0.346  -0.494  -8.472  1.00  0.00           C  
HETATM   46  C   UNL     1       0.688  -1.281  -7.206  1.00  0.00           C  
HETATM   47  O   UNL     1       1.060  -0.382  -6.163  1.00  0.00           O  
HETATM   48  N   UNL     1      -1.688   2.061  -6.562  1.00  0.00           N  
HETATM   49  O   UNL     1       0.001  -1.400  -9.522  1.00  0.00           O  
HETATM   50  C   UNL     1       1.854  -2.230  -7.496  1.00  0.00           C  
HETATM   51  O   UNL     1       2.175  -2.966  -6.314  1.00  0.00           O  
HETATM   52  O   UNL     1      -1.080   1.279  -9.304  1.00  0.00           O  
HETATM   53  C   UNL     1      -1.536   3.259  -5.963  1.00  0.00           C  
HETATM   54  O   UNL     1      -0.424   3.692  -5.746  1.00  0.00           O  
HETATM   55  C   UNL     1      -2.748   4.060  -5.563  1.00  0.00           C  
HETATM   56  H   UNL     1       2.378  -1.482   7.943  1.00  0.00           H  
HETATM   57  H   UNL     1       1.461  -2.512   5.926  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.291   0.729   5.468  1.00  0.00           H  
HETATM   59  H   UNL     1       1.417   2.538  10.345  1.00  0.00           H  
HETATM   60  H   UNL     1       2.959   0.852  10.707  1.00  0.00           H  
HETATM   61  H   UNL     1       2.396  -0.759  10.203  1.00  0.00           H  
HETATM   62  H   UNL     1       3.587   0.116   9.213  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.139  -0.335   4.676  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.865  -0.592   2.308  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.495  -2.508   2.097  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.911   0.225   0.800  1.00  0.00           H  
HETATM   67  H   UNL     1       0.916  -0.642   3.085  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.443  -3.337   3.257  1.00  0.00           H  
HETATM   69  H   UNL     1       1.934   0.987   1.469  1.00  0.00           H  
HETATM   70  H   UNL     1       0.563   2.083   1.763  1.00  0.00           H  
HETATM   71  H   UNL     1       2.376   2.552   3.084  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.901  -3.269   4.477  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.954  -4.308   3.385  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.366  -3.979   5.032  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.339  -2.983   0.822  1.00  0.00           H  
HETATM   76  H   UNL     1       0.630   0.924  -0.483  1.00  0.00           H  
HETATM   77  H   UNL     1       1.867  -1.450  -1.949  1.00  0.00           H  
HETATM   78  H   UNL     1       1.834   1.525  -2.635  1.00  0.00           H  
HETATM   79  H   UNL     1       0.318  -0.789  -3.930  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.651   1.469  -2.121  1.00  0.00           H  
HETATM   81  H   UNL     1       3.458   0.823  -0.993  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.197   0.903  -4.009  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.190  -0.793  -3.471  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.962   0.396  -2.637  1.00  0.00           H  
HETATM   85  H   UNL     1       5.358  -1.572   1.031  1.00  0.00           H  
HETATM   86  H   UNL     1       5.750  -0.353  -0.204  1.00  0.00           H  
HETATM   87  H   UNL     1       4.802   0.106   1.229  1.00  0.00           H  
HETATM   88  H   UNL     1       3.615   0.298  -3.394  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.917  -0.325  -5.579  1.00  0.00           H  
HETATM   90  H   UNL     1       0.312   1.957  -7.187  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.730  -0.170  -7.980  1.00  0.00           H  
HETATM   92  H   UNL     1       1.206   0.103  -8.774  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.180  -1.860  -6.892  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.577   1.714  -6.735  1.00  0.00           H  
HETATM   95  H   UNL     1       0.774  -1.960  -9.673  1.00  0.00           H  
HETATM   96  H   UNL     1       1.570  -2.922  -8.289  1.00  0.00           H  
HETATM   97  H   UNL     1       2.722  -1.652  -7.811  1.00  0.00           H  
HETATM   98  H   UNL     1       2.912  -3.550  -6.540  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.285   0.702 -10.052  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.429   4.992  -5.097  1.00  0.00           H  
HETATM  101  H   UNL     1      -3.345   4.281  -6.447  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.345   3.486  -4.855  1.00  0.00           H  
CONECT    1    7   11                                                 
CONECT    2    4    4   10   56                                       
CONECT    3   11   11                                                 
CONECT    4    2    2    5   57                                       
CONECT    5    4    6    6   13                                       
CONECT    6    5    5    7   58                                       
CONECT    7    1    6   10   10                                       
CONECT    8    9    9   11   59                                       
CONECT    9    8    8   10   12                                       
CONECT   10    2    7    7    9                                       
CONECT   11    1    3    3    8                                       
CONECT   12    9   60   61   62                                       
CONECT   13    5   14                                                 
CONECT   14   13   15   19   63                                       
CONECT   15   14   16   20   64                                       
CONECT   16   15   17   27   65                                       
CONECT   17   16   18   26   66                                       
CONECT   18   17   19   21   67                                       
CONECT   19   14   18                                                 
CONECT   20   15   23   68                                            
CONECT   21   18   22   69   70                                       
CONECT   22   21   71                                                 
CONECT   23   20   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   72   73   74                                       
CONECT   26   17   28                                                 
CONECT   27   16   75                                                 
CONECT   28   26   29   33   76                                       
CONECT   29   28   30   34   77                                       
CONECT   30   29   31   41   78                                       
CONECT   31   30   32   35   79                                       
CONECT   32   31   33   36   80                                       
CONECT   33   28   32                                                 
CONECT   34   29   38   81                                            
CONECT   35   31   42                                                 
CONECT   36   32   37   82   83                                       
CONECT   37   36   84                                                 
CONECT   38   34   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   85   86   87                                       
CONECT   41   30   88                                                 
CONECT   42   35   43   47   89                                       
CONECT   43   42   44   48   90                                       
CONECT   44   43   45   52   91                                       
CONECT   45   44   46   49   92                                       
CONECT   46   45   47   50   93                                       
CONECT   47   42   46                                                 
CONECT   48   43   53   94                                            
CONECT   49   45   95                                                 
CONECT   50   46   51   96   97                                       
CONECT   51   50   98                                                 
CONECT   52   44   99                                                 
CONECT   53   48   54   54   55                                       
CONECT   54   53   53                                                 
CONECT   55   53  100  101  102                                       
CONECT   56    2                                                      
CONECT   57    4                                                      
CONECT   58    6                                                      
CONECT   59    8                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   12                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   34                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   40                                                      
CONECT   86   40                                                      
CONECT   87   40                                                      
CONECT   88   41                                                      
CONECT   89   42                                                      
CONECT   90   43                                                      
CONECT   91   44                                                      
CONECT   92   45                                                      
CONECT   93   46                                                      
CONECT   94   48                                                      
CONECT   95   49                                                      
CONECT   96   50                                                      
CONECT   97   50                                                      
CONECT   98   51                                                      
CONECT   99   52                                                      
CONECT  100   55                                                      
CONECT  101   55                                                      
CONECT  102   55                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
