COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.260  -1.363   0.035  1.00  0.00           N  
HETATM    2  N   UNL     1       2.011   1.941  -1.362  1.00  0.00           N  
HETATM    3  O   UNL     1       3.116   2.223  -3.329  1.00  0.00           O  
HETATM    4  C   UNL     1       3.316  -1.497   2.037  1.00  0.00           C  
HETATM    5  C   UNL     1       0.057  -2.621  -0.401  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.638   1.193   0.424  1.00  0.00           C  
HETATM    7  C   UNL     1       2.356   2.223   0.038  1.00  0.00           C  
HETATM    8  C   UNL     1       4.302  -2.287   1.400  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.103  -3.223  -0.883  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.216   2.405   0.870  1.00  0.00           C  
HETATM   11  C   UNL     1       3.746   2.817   0.008  1.00  0.00           C  
HETATM   12  C   UNL     1       3.695  -3.017   0.432  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.138  -2.317  -0.738  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.189   3.295   1.000  1.00  0.00           C  
HETATM   15  C   UNL     1       4.124   2.857  -1.266  1.00  0.00           C  
HETATM   16  C   UNL     1       2.316  -2.689   0.456  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.608  -1.159  -0.165  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.016   2.626   0.638  1.00  0.00           C  
HETATM   19  C   UNL     1       3.060   2.318  -2.118  1.00  0.00           C  
HETATM   20  C   UNL     1       4.363  -3.997  -0.498  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.577  -2.540  -1.127  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.675   2.662   1.146  1.00  0.00           C  
HETATM   23  C   UNL     1       5.449   3.379  -1.760  1.00  0.00           C  
HETATM   24  C   UNL     1       4.243  -5.409   0.077  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.339  -3.140   0.057  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.381   3.044  -0.156  1.00  0.00           C  
HETATM   27  C   UNL     1       6.429   2.215  -1.919  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.778  -3.362  -0.333  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.840   3.301   0.120  1.00  0.00           C  
HETATM   30  C   UNL     1       1.343  -3.209  -0.368  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.323   0.003   0.155  1.00  0.00           C  
HETATM   32  C   UNL     1       1.367   3.227   0.633  1.00  0.00           C  
HETATM   33  C   UNL     1       5.771  -2.312   1.737  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.211  -4.611  -1.459  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.299   4.729   1.451  1.00  0.00           C  
HETATM   36  C   UNL     1       4.549   3.277   1.197  1.00  0.00           C  
HETATM   37  N   UNL     1       2.125  -1.748   1.460  1.00  0.00           N  
HETATM   38  N   UNL     1      -0.311   1.392   0.297  1.00  0.00           N  
HETATM   39  O   UNL     1      -6.155  -3.071  -1.443  1.00  0.00           O  
HETATM   40  O   UNL     1      -6.661   3.653  -0.882  1.00  0.00           O  
HETATM   41  O   UNL     1      -6.640  -3.885   0.554  1.00  0.00           O  
HETATM   42  O   UNL     1      -6.271   3.190   1.243  1.00  0.00           O  
HETATM   43  O   UNL     1       3.510  -0.723   2.957  1.00  0.00           O  
HETATM   44  H   UNL     1       0.358  -0.724   0.423  1.00  0.00           H  
HETATM   45  H   UNL     1       1.183   1.551  -1.682  1.00  0.00           H  
HETATM   46  H   UNL     1       2.353   1.302   0.619  1.00  0.00           H  
HETATM   47  H   UNL     1       3.878  -3.960  -1.474  1.00  0.00           H  
HETATM   48  H   UNL     1       5.416  -3.736  -0.605  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.030  -1.588  -1.405  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.623  -3.225  -1.973  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.131   1.761   1.556  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.770   3.477   1.864  1.00  0.00           H  
HETATM   53  H   UNL     1       5.310   3.871  -2.722  1.00  0.00           H  
HETATM   54  H   UNL     1       5.849   4.095  -1.041  1.00  0.00           H  
HETATM   55  H   UNL     1       4.726  -6.118  -0.595  1.00  0.00           H  
HETATM   56  H   UNL     1       4.728  -5.446   1.053  1.00  0.00           H  
HETATM   57  H   UNL     1       3.190  -5.670   0.184  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.886  -4.092   0.335  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.293  -2.455   0.903  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.924   3.944  -0.567  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.285   2.229  -0.874  1.00  0.00           H  
HETATM   62  H   UNL     1       7.387   2.592  -2.276  1.00  0.00           H  
HETATM   63  H   UNL     1       6.568   1.723  -0.956  1.00  0.00           H  
HETATM   64  H   UNL     1       6.029   1.499  -2.637  1.00  0.00           H  
HETATM   65  H   UNL     1       1.561  -4.066  -0.988  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.402  -0.020   0.195  1.00  0.00           H  
HETATM   67  H   UNL     1       1.662   3.466   1.654  1.00  0.00           H  
HETATM   68  H   UNL     1       1.365   4.136   0.032  1.00  0.00           H  
HETATM   69  H   UNL     1       5.967  -1.622   2.557  1.00  0.00           H  
HETATM   70  H   UNL     1       6.059  -3.320   2.034  1.00  0.00           H  
HETATM   71  H   UNL     1       6.349  -2.011   0.863  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.432  -5.320  -0.662  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.010  -4.636  -2.200  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.267  -4.881  -1.934  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.193   4.778   2.534  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.512   5.318   0.981  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.272   5.126   1.162  1.00  0.00           H  
HETATM   78  H   UNL     1       5.147   2.447   1.574  1.00  0.00           H  
HETATM   79  H   UNL     1       5.208   4.092   0.897  1.00  0.00           H  
HETATM   80  H   UNL     1       3.875   3.624   1.979  1.00  0.00           H  
HETATM   81  H   UNL     1       1.279  -1.342   1.704  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.588   3.807  -0.656  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.552  -4.009   0.258  1.00  0.00           H  
CONECT    1    5   17   44                                            
CONECT    2    7   19   45                                            
CONECT    3   19   19                                                 
CONECT    4   43   43    8   37                                       
CONECT    5   30    9    9    1                                       
CONECT    6   38   31   31   10                                       
CONECT    7   11    2   32   46                                       
CONECT    8   33    4   12   12                                       
CONECT    9   34    5    5   13                                       
CONECT   10    6   14   14   22                                       
CONECT   11   36    7   15   15                                       
CONECT   12    8    8   20   16                                       
CONECT   13    9   17   17   21                                       
CONECT   14   18   10   10   35                                       
CONECT   15   11   11   23   19                                       
CONECT   16   12   37   30   30                                       
CONECT   17    1   13   13   31                                       
CONECT   18   38   38   32   14                                       
CONECT   19   15    2    3    3                                       
CONECT   20   24   12   47   48                                       
CONECT   21   25   13   49   50                                       
CONECT   22   10   26   51   52                                       
CONECT   23   27   15   53   54                                       
CONECT   24   20   55   56   57                                       
CONECT   25   28   21   58   59                                       
CONECT   26   22   29   60   61                                       
CONECT   27   23   62   63   64                                       
CONECT   28   39   39   25   41                                       
CONECT   29   26   42   42   40                                       
CONECT   30   16   16    5   65                                       
CONECT   31   17    6    6   66                                       
CONECT   32    7   18   67   68                                       
CONECT   33    8   69   70   71                                       
CONECT   34    9   72   73   74                                       
CONECT   35   14   75   76   77                                       
CONECT   36   11   78   79   80                                       
CONECT   37    4   16   81                                            
CONECT   38    6   18   18                                            
CONECT   39   28   28                                                 
CONECT   40   29   82                                                 
CONECT   41   28   83                                                 
CONECT   42   29   29                                                 
CONECT   43    4    4                                                 
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    7                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   40                                                      
CONECT   83   41                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
