COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      12.340   1.429  -0.327  1.00  0.00           C  
HETATM    2  C   UNL     1       8.811   1.027  -1.377  1.00  0.00           C  
HETATM    3  C   UNL     1      13.505   2.287  -0.615  1.00  0.00           C  
HETATM    4  C   UNL     1      15.774   2.963  -0.302  1.00  0.00           C  
HETATM    5  C   UNL     1       5.511  -1.088   0.082  1.00  0.00           C  
HETATM    6  C   UNL     1       3.088  -1.327   0.185  1.00  0.00           C  
HETATM    7  C   UNL     1       2.062  -2.443   0.394  1.00  0.00           C  
HETATM    8  C   UNL     1       0.651  -1.855   0.336  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.819  -3.226   0.651  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.441  -3.080  -0.193  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.702  -2.261  -0.294  1.00  0.00           C  
HETATM   12  C   UNL     1      12.449   0.400   0.627  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.916  -1.779  -1.746  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.498  -0.357  -1.588  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.567  -0.147  -0.059  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.007   1.708   0.646  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.341   3.417   0.684  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.988   4.661   0.780  1.00  0.00           C  
HETATM   19  C   UNL     1     -11.957   3.648   0.127  1.00  0.00           C  
HETATM   20  C   UNL     1     -10.101   2.303   0.291  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.375  -2.971   0.545  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.252  -3.570   0.771  1.00  0.00           C  
HETATM   23  C   UNL     1      11.386  -0.400   0.913  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.513  -2.751   0.671  1.00  0.00           C  
HETATM   25  C   UNL     1      10.156  -0.202   0.248  1.00  0.00           C  
HETATM   26  C   UNL     1      10.037   0.832  -0.715  1.00  0.00           C  
HETATM   27  C   UNL     1      11.145   1.646  -0.995  1.00  0.00           C  
HETATM   28  C   UNL     1       9.047  -1.015   0.525  1.00  0.00           C  
HETATM   29  C   UNL     1       7.860  -0.797  -0.141  1.00  0.00           C  
HETATM   30  C   UNL     1       7.751   0.226  -1.090  1.00  0.00           C  
HETATM   31  N   UNL     1       6.754  -1.606   0.134  1.00  0.00           N  
HETATM   32  N   UNL     1     -11.393   2.463   0.025  1.00  0.00           N  
HETATM   33  N   UNL     1       4.440  -1.890   0.242  1.00  0.00           N  
HETATM   34  N   UNL     1      -1.727  -2.408   0.488  1.00  0.00           N  
HETATM   35  N   UNL     1      -4.088  -2.698   0.598  1.00  0.00           N  
HETATM   36  N   UNL     1      -2.653  -4.503   0.855  1.00  0.00           N  
HETATM   37  N   UNL     1      -9.234   1.239   0.281  1.00  0.00           N  
HETATM   38  N   UNL     1      -8.072   2.986   0.882  1.00  0.00           N  
HETATM   39  N   UNL     1      -9.291   5.794   1.162  1.00  0.00           N  
HETATM   40  N   UNL     1     -11.284   4.724   0.493  1.00  0.00           N  
HETATM   41  O   UNL     1      11.508  -1.389   1.836  1.00  0.00           O  
HETATM   42  O   UNL     1      14.670   2.081   0.031  1.00  0.00           O  
HETATM   43  O   UNL     1      13.415   3.179  -1.434  1.00  0.00           O  
HETATM   44  O   UNL     1       5.356   0.103  -0.108  1.00  0.00           O  
HETATM   45  O   UNL     1      -9.845  -2.628  -2.423  1.00  0.00           O  
HETATM   46  O   UNL     1     -10.804  -0.284  -2.162  1.00  0.00           O  
HETATM   47  O   UNL     1      -8.577  -1.049   0.482  1.00  0.00           O  
HETATM   48  H   UNL     1       8.712   1.813  -2.112  1.00  0.00           H  
HETATM   49  H   UNL     1      16.649   2.689   0.288  1.00  0.00           H  
HETATM   50  H   UNL     1      16.007   2.869  -1.363  1.00  0.00           H  
HETATM   51  H   UNL     1      15.495   3.993  -0.082  1.00  0.00           H  
HETATM   52  H   UNL     1       2.928  -0.864  -0.788  1.00  0.00           H  
HETATM   53  H   UNL     1       2.974  -0.577   0.968  1.00  0.00           H  
HETATM   54  H   UNL     1       2.176  -3.193  -0.388  1.00  0.00           H  
HETATM   55  H   UNL     1       2.223  -2.906   1.368  1.00  0.00           H  
HETATM   56  H   UNL     1       0.537  -1.105   1.118  1.00  0.00           H  
HETATM   57  H   UNL     1       0.490  -1.392  -0.638  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.303  -3.939  -0.833  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.560  -2.842   0.044  1.00  0.00           H  
HETATM   60  H   UNL     1      13.388   0.244   1.138  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.967  -1.749  -2.282  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.838   0.379  -2.047  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.558  -0.403   0.315  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.114   1.106   0.730  1.00  0.00           H  
HETATM   65  H   UNL     1     -13.009   3.744  -0.097  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.261  -3.721  -0.238  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.215  -3.434   1.518  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.206  -4.048   1.750  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.253  -4.334  -0.006  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.651  -1.892   1.311  1.00  0.00           H  
HETATM   71  H   UNL     1      11.066   2.439  -1.723  1.00  0.00           H  
HETATM   72  H   UNL     1       9.123  -1.806   1.256  1.00  0.00           H  
HETATM   73  H   UNL     1       6.812   0.381  -1.601  1.00  0.00           H  
HETATM   74  H   UNL     1       6.881  -2.540   0.362  1.00  0.00           H  
HETATM   75  H   UNL     1       4.563  -2.840   0.393  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.851  -1.458   0.337  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.212  -1.748   0.446  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.758  -4.876   0.892  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.345   5.735   1.368  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.749   6.647   1.224  1.00  0.00           H  
HETATM   81  H   UNL     1      11.291  -1.114   2.738  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.556  -3.548  -2.496  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.828  -0.468  -3.112  1.00  0.00           H  
CONECT    1   12    3   27   27                                       
CONECT    2   26   26   30   48                                       
CONECT    3   43   43    1   42                                       
CONECT    4   42   49   50   51                                       
CONECT    5   44   44   31   33                                       
CONECT    6    7   33   52   53                                       
CONECT    7    6    8   54   55                                       
CONECT    8    7   21   56   57                                       
CONECT    9   35   34   36   36                                       
CONECT   10   24   24   11   58                                       
CONECT   11   10   47   13   59                                       
CONECT   12   23   23    1   60                                       
CONECT   13   14   11   45   61                                       
CONECT   14   15   46   13   62                                       
CONECT   15   37   14   47   63                                       
CONECT   16   38   38   37   64                                       
CONECT   17   18   18   38   20                                       
CONECT   18   39   17   17   40                                       
CONECT   19   40   40   32   65                                       
CONECT   20   17   37   32   32                                       
CONECT   21   34    8   66   67                                       
CONECT   22   35   24   68   69                                       
CONECT   23   41   12   12   25                                       
CONECT   24   22   10   10   70                                       
CONECT   25   23   28   28   26                                       
CONECT   26   25   27    2    2                                       
CONECT   27    1    1   26   71                                       
CONECT   28   25   25   29   72                                       
CONECT   29   28   31   30   30                                       
CONECT   30   29   29    2   73                                       
CONECT   31   29    5   74                                            
CONECT   32   20   20   19                                            
CONECT   33    5    6   75                                            
CONECT   34    9   21   76                                            
CONECT   35   22    9   77                                            
CONECT   36    9    9   78                                            
CONECT   37   16   20   15                                            
CONECT   38   17   16   16                                            
CONECT   39   18   79   80                                            
CONECT   40   18   19   19                                            
CONECT   41   23   81                                                 
CONECT   42    3    4                                                 
CONECT   43    3    3                                                 
CONECT   44    5    5                                                 
CONECT   45   13   82                                                 
CONECT   46   14   83                                                 
CONECT   47   15   11                                                 
CONECT   48    2                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   19                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   24                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   39                                                      
CONECT   80   39                                                      
CONECT   81   41                                                      
CONECT   82   45                                                      
CONECT   83   46                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
