COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.380  -2.747   0.885  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.930  -3.404  -0.359  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.810  -2.628  -1.001  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.001  -1.342  -1.391  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.855  -0.583  -1.929  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.316   0.809  -2.341  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.389   1.807  -1.189  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.066   3.087  -1.697  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.474   4.001  -0.547  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.985   3.928  -0.327  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.295   3.547   1.121  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.389   2.479   1.147  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.047   1.404   2.179  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.695   0.078   1.776  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.748  -1.082   2.088  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.206  -1.662   0.800  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.517  -1.140  -0.246  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.204   1.241  -0.030  1.00  0.00           C  
HETATM   19  C   UNL     1       0.306  -0.523  -0.944  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.135   0.074   0.277  1.00  0.00           O  
HETATM   21  C   UNL     1       1.438   0.315  -1.541  1.00  0.00           C  
HETATM   22  N   UNL     1       2.605   0.267  -0.650  1.00  0.00           N  
HETATM   23  C   UNL     1       3.715   1.062  -1.193  1.00  0.00           C  
HETATM   24  C   UNL     1       4.892   0.988  -0.254  1.00  0.00           C  
HETATM   25  C   UNL     1       5.837  -0.009  -0.407  1.00  0.00           C  
HETATM   26  C   UNL     1       6.916  -0.076   0.455  1.00  0.00           C  
HETATM   27  C   UNL     1       7.050   0.854   1.468  1.00  0.00           C  
HETATM   28  C   UNL     1       6.106   1.852   1.620  1.00  0.00           C  
HETATM   29  C   UNL     1       5.029   1.922   0.757  1.00  0.00           C  
HETATM   30  C   UNL     1       7.946  -1.163   0.289  1.00  0.00           C  
HETATM   31  C   UNL     1       9.316  -0.534   0.032  1.00  0.00           C  
HETATM   32  C   UNL     1       8.004  -2.010   1.562  1.00  0.00           C  
HETATM   33  O   UNL     1      -0.743  -3.188  -1.184  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.076  -3.632  -1.342  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.941  -3.270   2.196  1.00  0.00           C  
HETATM   36  H   UNL     1      -2.526  -4.398  -0.085  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.888  -0.935  -1.361  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.502  -1.107  -2.836  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.628   1.201  -3.103  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.310   0.732  -2.805  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.385   2.060  -0.850  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.370   3.612  -2.355  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.951   2.813  -2.277  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.937   3.760   0.364  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.224   5.037  -0.821  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.429   4.904  -0.545  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.412   3.183  -0.999  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.399   3.172   1.611  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.650   4.437   1.649  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.339   2.944   1.407  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.472   2.018   0.160  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.968   1.280   2.240  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.429   1.707   3.156  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.624  -0.053   2.340  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.927   0.090   0.715  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.924  -0.719   2.702  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.304  -1.853   2.626  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.972   0.183   0.096  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.957   1.779   0.885  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.267   1.356  -0.243  1.00  0.00           H  
HETATM   61  H   UNL     1       0.667  -1.532  -0.745  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.077   1.039   0.287  1.00  0.00           H  
HETATM   63  H   UNL     1       1.710  -0.085  -2.518  1.00  0.00           H  
HETATM   64  H   UNL     1       1.107   1.347  -1.650  1.00  0.00           H  
HETATM   65  H   UNL     1       2.363   0.572   0.280  1.00  0.00           H  
HETATM   66  H   UNL     1       4.003   0.667  -2.167  1.00  0.00           H  
HETATM   67  H   UNL     1       3.400   2.100  -1.300  1.00  0.00           H  
HETATM   68  H   UNL     1       5.732  -0.735  -1.199  1.00  0.00           H  
HETATM   69  H   UNL     1       7.893   0.801   2.141  1.00  0.00           H  
HETATM   70  H   UNL     1       6.211   2.579   2.412  1.00  0.00           H  
HETATM   71  H   UNL     1       4.293   2.704   0.873  1.00  0.00           H  
HETATM   72  H   UNL     1       7.673  -1.796  -0.556  1.00  0.00           H  
HETATM   73  H   UNL     1       9.589   0.099   0.877  1.00  0.00           H  
HETATM   74  H   UNL     1      10.061  -1.320  -0.088  1.00  0.00           H  
HETATM   75  H   UNL     1       9.275   0.069  -0.875  1.00  0.00           H  
HETATM   76  H   UNL     1       7.027  -2.458   1.745  1.00  0.00           H  
HETATM   77  H   UNL     1       8.748  -2.796   1.442  1.00  0.00           H  
HETATM   78  H   UNL     1       8.276  -1.377   2.407  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.523  -2.674  -1.609  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.693  -4.117  -2.240  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.830  -4.269  -0.880  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.013  -2.781   2.490  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.710  -3.069   2.943  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.779  -4.345   2.123  1.00  0.00           H  
CONECT    1    2   16   35                                            
CONECT    2    1    3   34   36                                       
CONECT    3    2    4   33   33                                       
CONECT    4    3    5   37                                            
CONECT    5    4    6   19   38                                       
CONECT    6    5    7   39   40                                       
CONECT    7    6    8   18   41                                       
CONECT    8    7    9   42   43                                       
CONECT    9    8   10   44   45                                       
CONECT   10    9   11   46   47                                       
CONECT   11   10   12   48   49                                       
CONECT   12   11   13   50   51                                       
CONECT   13   12   14   52   53                                       
CONECT   14   13   15   54   55                                       
CONECT   15   14   16   56   57                                       
CONECT   16    1   15   17   17                                       
CONECT   17   16   16                                                 
CONECT   18    7   58   59   60                                       
CONECT   19    5   20   21   61                                       
CONECT   20   19   62                                                 
CONECT   21   19   22   63   64                                       
CONECT   22   21   23   65                                            
CONECT   23   22   24   66   67                                       
CONECT   24   23   25   25   29                                       
CONECT   25   24   24   26   68                                       
CONECT   26   25   27   27   30                                       
CONECT   27   26   26   28   69                                       
CONECT   28   27   29   29   70                                       
CONECT   29   24   28   28   71                                       
CONECT   30   26   31   32   72                                       
CONECT   31   30   73   74   75                                       
CONECT   32   30   76   77   78                                       
CONECT   33    3    3                                                 
CONECT   34    2   79   80   81                                       
CONECT   35    1   82   83   84                                       
CONECT   36    2                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   25                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
