COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.291  -2.821   0.437  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.127  -2.542  -0.274  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.747  -2.983  -0.808  1.00  0.00           C  
HETATM    4  C   UNL     1       1.676  -3.544  -1.073  1.00  0.00           C  
HETATM    5  C   UNL     1       0.993  -2.434   1.514  1.00  0.00           C  
HETATM    6  C   UNL     1       2.736  -0.876   1.243  1.00  0.00           C  
HETATM    7  C   UNL     1       2.540   1.003   2.563  1.00  0.00           C  
HETATM    8  C   UNL     1       4.374   0.862   1.175  1.00  0.00           C  
HETATM    9  C   UNL     1       6.329   0.681  -0.324  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.546   5.010   1.267  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.620   3.851   0.271  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.850   4.402  -1.138  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.308   3.063   0.304  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.411   1.870  -0.649  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.573  -0.216  -1.049  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.350  -1.049  -0.763  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.418  -2.059   0.180  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.137  -1.511  -1.205  1.00  0.00           C  
HETATM   19  C   UNL     1       0.369  -3.938  -0.379  1.00  0.00           C  
HETATM   20  C   UNL     1       2.076  -2.133  -0.634  1.00  0.00           C  
HETATM   21  C   UNL     1       0.561  -3.853   1.138  1.00  0.00           C  
HETATM   22  C   UNL     1       7.552   1.483  -0.687  1.00  0.00           C  
HETATM   23  C   UNL     1       7.496   2.401  -1.719  1.00  0.00           C  
HETATM   24  C   UNL     1       8.618   3.136  -2.052  1.00  0.00           C  
HETATM   25  C   UNL     1       9.797   2.953  -1.352  1.00  0.00           C  
HETATM   26  C   UNL     1       9.853   2.035  -0.320  1.00  0.00           C  
HETATM   27  C   UNL     1       8.729   1.304   0.016  1.00  0.00           C  
HETATM   28  C   UNL     1       3.923  -0.373   0.718  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.806   1.732  -0.311  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.775   2.921   0.653  1.00  0.00           C  
HETATM   31  N   UNL     1      -6.529   1.010  -0.241  1.00  0.00           N  
HETATM   32  N   UNL     1      -4.230  -0.806  -1.415  1.00  0.00           N  
HETATM   33  N   UNL     1      -1.965  -3.286  -0.054  1.00  0.00           N  
HETATM   34  N   UNL     1       2.247  -2.104   0.825  1.00  0.00           N  
HETATM   35  N   UNL     1       2.080  -0.163   2.156  1.00  0.00           N  
HETATM   36  N   UNL     1       3.659   1.513   2.091  1.00  0.00           N  
HETATM   37  N   UNL     1       5.551   1.406   0.683  1.00  0.00           N  
HETATM   38  O   UNL     1       0.020  -5.275  -0.743  1.00  0.00           O  
HETATM   39  H   UNL     1      -4.316  -3.616   1.168  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.442  -1.956  -0.608  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.939  -3.105  -1.874  1.00  0.00           H  
HETATM   42  H   UNL     1       2.461  -4.247  -0.798  1.00  0.00           H  
HETATM   43  H   UNL     1       1.534  -3.561  -2.154  1.00  0.00           H  
HETATM   44  H   UNL     1       0.219  -1.727   1.215  1.00  0.00           H  
HETATM   45  H   UNL     1       1.144  -2.373   2.591  1.00  0.00           H  
HETATM   46  H   UNL     1       1.984   1.556   3.305  1.00  0.00           H  
HETATM   47  H   UNL     1       5.718   0.527  -1.214  1.00  0.00           H  
HETATM   48  H   UNL     1       6.634  -0.285   0.078  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.720   5.668   0.998  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.481   5.570   1.243  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.385   4.616   2.271  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.905   3.576  -1.847  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.784   4.963  -1.161  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.025   5.060  -1.410  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.487   3.709  -0.008  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.124   2.705   1.317  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.580   2.230  -1.664  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.483   1.298  -0.617  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.594   0.047  -2.107  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.467  -0.785  -0.797  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.340  -2.250   0.709  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.240  -1.286  -1.763  1.00  0.00           H  
HETATM   63  H   UNL     1       3.013  -1.855  -1.115  1.00  0.00           H  
HETATM   64  H   UNL     1       1.296  -1.428  -0.922  1.00  0.00           H  
HETATM   65  H   UNL     1       1.329  -4.561   1.448  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.378  -4.091   1.638  1.00  0.00           H  
HETATM   67  H   UNL     1       6.575   2.544  -2.265  1.00  0.00           H  
HETATM   68  H   UNL     1       8.574   3.853  -2.858  1.00  0.00           H  
HETATM   69  H   UNL     1      10.674   3.527  -1.613  1.00  0.00           H  
HETATM   70  H   UNL     1      10.774   1.892   0.226  1.00  0.00           H  
HETATM   71  H   UNL     1       8.772   0.589   0.825  1.00  0.00           H  
HETATM   72  H   UNL     1       4.479  -0.926  -0.024  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.618   1.061  -0.033  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.965   2.093  -1.327  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.630   2.560   1.671  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.717   3.465   0.589  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.966  -4.004   0.599  1.00  0.00           H  
HETATM   78  H   UNL     1       5.859   2.267   1.007  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.798  -5.592  -0.336  1.00  0.00           H  
CONECT    1   17   17    2   39                                       
CONECT    2   18   18    1   33                                       
CONECT    3   33   19   40   41                                       
CONECT    4   19   20   42   43                                       
CONECT    5   21   34   44   45                                       
CONECT    6   28   34   35   35                                       
CONECT    7   36   36   35   46                                       
CONECT    8   37   28   28   36                                       
CONECT    9   22   37   47   48                                       
CONECT   10   11   49   50   51                                       
CONECT   11   30   12   13   10                                       
CONECT   12   11   52   53   54                                       
CONECT   13   14   11   55   56                                       
CONECT   14   31   13   57   58                                       
CONECT   15   31   16   59   60                                       
CONECT   16   15   32   32   17                                       
CONECT   17   16    1    1   61                                       
CONECT   18   32    2    2   62                                       
CONECT   19   21    3   38    4                                       
CONECT   20   34    4   63   64                                       
CONECT   21    5   19   65   66                                       
CONECT   22   23    9   27   27                                       
CONECT   23   24   24   22   67                                       
CONECT   24   23   23   25   68                                       
CONECT   25   24   26   26   69                                       
CONECT   26   25   25   27   70                                       
CONECT   27   22   22   26   71                                       
CONECT   28    8    8    6   72                                       
CONECT   29   30   31   73   74                                       
CONECT   30   29   11   75   76                                       
CONECT   31   29   15   14                                            
CONECT   32   16   16   18                                            
CONECT   33    2    3   77                                            
CONECT   34    5    6   20                                            
CONECT   35    6    6    7                                            
CONECT   36    8    7    7                                            
CONECT   37    9    8   78                                            
CONECT   38   19   79                                                 
CONECT   39    1                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    7                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   33                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
