COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.065   3.081   0.135  1.00  0.00           C  
HETATM    2  C   UNL     1       1.047   7.930   0.825  1.00  0.00           C  
HETATM    3  N   UNL     1     -10.837  -2.656   3.534  1.00  0.00           N  
HETATM    4  C   UNL     1     -10.457  -1.885   2.468  1.00  0.00           C  
HETATM    5  N   UNL     1      -9.239  -2.103   1.906  1.00  0.00           N  
HETATM    6  C   UNL     1      -8.822  -1.353   0.837  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.665  -0.367   0.338  1.00  0.00           C  
HETATM    8  N   UNL     1      -9.027   0.224  -0.699  1.00  0.00           N  
HETATM    9  C   UNL     1      -7.864  -0.339  -0.862  1.00  0.00           C  
HETATM   10  N   UNL     1      -7.698  -1.321   0.070  1.00  0.00           N  
HETATM   11  C   UNL     1      -6.523  -2.184   0.219  1.00  0.00           C  
HETATM   12  O   UNL     1      -5.358  -1.549  -0.352  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.425  -2.623  -0.604  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.388  -2.195  -1.644  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.570  -1.156  -1.101  1.00  0.00           O  
HETATM   16  P   UNL     1      -1.371  -0.465  -1.923  1.00  0.00           P  
HETATM   17  O   UNL     1      -1.974   0.332  -3.185  1.00  0.00           O  
HETATM   18  O   UNL     1      -0.434  -1.507  -2.400  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.586   0.564  -0.965  1.00  0.00           O  
HETATM   20  C   UNL     1       0.595   1.258  -1.369  1.00  0.00           C  
HETATM   21  C   UNL     1       0.398   2.788  -1.233  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.991   3.122  -1.206  1.00  0.00           O  
HETATM   23  N   UNL     1       1.506   4.476   0.205  1.00  0.00           N  
HETATM   24  C   UNL     1       2.755   4.942  -0.080  1.00  0.00           C  
HETATM   25  N   UNL     1       2.797   6.232   0.091  1.00  0.00           N  
HETATM   26  C   UNL     1       1.582   6.673   0.495  1.00  0.00           C  
HETATM   27  N   UNL     1       1.830   9.070   0.769  1.00  0.00           N  
HETATM   28  N   UNL     1      -0.230   7.999   1.188  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.984   6.917   1.244  1.00  0.00           C  
HETATM   30  N   UNL     1      -0.525   5.720   0.948  1.00  0.00           N  
HETATM   31  C   UNL     1       0.738   5.553   0.571  1.00  0.00           C  
HETATM   32  O   UNL     1       2.198   2.187   0.155  1.00  0.00           O  
HETATM   33  C   UNL     1       1.761   0.941  -0.413  1.00  0.00           C  
HETATM   34  C   UNL     1       2.909   0.292  -1.190  1.00  0.00           C  
HETATM   35  O   UNL     1       3.944  -0.088  -0.281  1.00  0.00           O  
HETATM   36  P   UNL     1       5.307  -0.802  -0.753  1.00  0.00           P  
HETATM   37  O   UNL     1       4.983  -2.021  -1.528  1.00  0.00           O  
HETATM   38  O   UNL     1       6.152   0.212  -1.676  1.00  0.00           O  
HETATM   39  C   UNL     1       6.294  -1.257   0.711  1.00  0.00           C  
HETATM   40  P   UNL     1       7.838  -2.065   0.175  1.00  0.00           P  
HETATM   41  O   UNL     1       8.614  -1.133  -0.673  1.00  0.00           O  
HETATM   42  O   UNL     1       7.486  -3.391  -0.667  1.00  0.00           O  
HETATM   43  O   UNL     1       8.710  -2.466   1.468  1.00  0.00           O  
HETATM   44  P   UNL     1      10.134  -3.188   1.677  1.00  0.00           P  
HETATM   45  O   UNL     1      11.316  -2.121   1.439  1.00  0.00           O  
HETATM   46  O   UNL     1      10.227  -3.767   3.176  1.00  0.00           O  
HETATM   47  O   UNL     1      10.271  -4.299   0.709  1.00  0.00           O  
HETATM   48  C   UNL     1      -5.293  -3.779  -1.150  1.00  0.00           C  
HETATM   49  O   UNL     1      -4.817  -5.035  -0.663  1.00  0.00           O  
HETATM   50  C   UNL     1      -6.704  -3.483  -0.597  1.00  0.00           C  
HETATM   51  O   UNL     1      -7.144  -4.548   0.249  1.00  0.00           O  
HETATM   52  C   UNL     1     -10.967  -0.179   0.986  1.00  0.00           C  
HETATM   53  O   UNL     1     -11.744   0.674   0.586  1.00  0.00           O  
HETATM   54  N   UNL     1     -11.287  -0.966   2.024  1.00  0.00           N  
HETATM   55  H   UNL     1       0.380   2.854   0.952  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.240  -3.341   3.875  1.00  0.00           H  
HETATM   57  H   UNL     1     -11.702  -2.516   3.950  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.660  -2.794   2.264  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.141  -0.068  -1.617  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.353  -2.414   1.270  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.933  -2.923   0.321  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.764  -3.049  -1.908  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.897  -1.828  -2.535  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.598   1.032  -2.947  1.00  0.00           H  
HETATM   65  H   UNL     1       0.858   0.997  -2.394  1.00  0.00           H  
HETATM   66  H   UNL     1       0.909   3.319  -2.037  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.167   4.057  -1.032  1.00  0.00           H  
HETATM   68  H   UNL     1       3.586   4.332  -0.398  1.00  0.00           H  
HETATM   69  H   UNL     1       2.759   9.007   0.499  1.00  0.00           H  
HETATM   70  H   UNL     1       1.449   9.932   0.999  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.017   7.018   1.543  1.00  0.00           H  
HETATM   72  H   UNL     1       1.424   0.271   0.378  1.00  0.00           H  
HETATM   73  H   UNL     1       2.541  -0.591  -1.712  1.00  0.00           H  
HETATM   74  H   UNL     1       3.305   1.004  -1.914  1.00  0.00           H  
HETATM   75  H   UNL     1       6.399   1.034  -1.232  1.00  0.00           H  
HETATM   76  H   UNL     1       6.533  -0.359   1.281  1.00  0.00           H  
HETATM   77  H   UNL     1       5.722  -1.943   1.335  1.00  0.00           H  
HETATM   78  H   UNL     1       6.977  -4.047  -0.172  1.00  0.00           H  
HETATM   79  H   UNL     1      11.289  -1.363   2.040  1.00  0.00           H  
HETATM   80  H   UNL     1      11.061  -4.216   3.372  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.298  -3.770  -2.240  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.325  -5.796  -0.975  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.410  -3.329  -1.413  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.216  -5.402  -0.199  1.00  0.00           H  
CONECT    1   32   21   23   55                                       
CONECT    2   28   28   26   27                                       
CONECT    3    4   56   57                                            
CONECT    4   54   54    5    3                                       
CONECT    5    6    4   58                                            
CONECT    6    7    7   10    5                                       
CONECT    7    8   52    6    6                                       
CONECT    8    9    9    7                                            
CONECT    9    8    8   10   59                                       
CONECT   10    9    6   11                                            
CONECT   11   10   50   12   60                                       
CONECT   12   13   11                                                 
CONECT   13   14   48   12   61                                       
CONECT   14   15   13   62   63                                       
CONECT   15   16   14                                                 
CONECT   16   19   18   18   17                                       
CONECT   16   15                                                      
CONECT   17   16   64                                                 
CONECT   18   16   16                                                 
CONECT   19   20   16                                                 
CONECT   20   33   21   19   65                                       
CONECT   21   22    1   20   66                                       
CONECT   22   21   67                                                 
CONECT   23    1   31   24                                            
CONECT   24   23   25   25   68                                       
CONECT   25   26   24   24                                            
CONECT   26   31   31    2   25                                       
CONECT   27    2   69   70                                            
CONECT   28   29    2    2                                            
CONECT   29   30   30   28   71                                       
CONECT   30   29   29   31                                            
CONECT   31   30   23   26   26                                       
CONECT   32    1   33                                                 
CONECT   33   32   34   20   72                                       
CONECT   34   33   35   73   74                                       
CONECT   35   34   36                                                 
CONECT   36   39   35   37   37                                       
CONECT   36   38                                                      
CONECT   37   36   36                                                 
CONECT   38   36   75                                                 
CONECT   39   40   36   76   77                                       
CONECT   40   43   39   41   41                                       
CONECT   40   42                                                      
CONECT   41   40   40                                                 
CONECT   42   40   78                                                 
CONECT   43   44   40                                                 
CONECT   44   47   47   43   45                                       
CONECT   44   46                                                      
CONECT   45   44   79                                                 
CONECT   46   44   80                                                 
CONECT   47   44   44                                                 
CONECT   48   50   13   49   81                                       
CONECT   49   48   82                                                 
CONECT   50   51   48   11   83                                       
CONECT   51   50   84                                                 
CONECT   52   53   53    7   54                                       
CONECT   53   52   52                                                 
CONECT   54   52    4    4                                            
CONECT   55    1                                                      
CONECT   56    3                                                      
CONECT   57    3                                                      
CONECT   58    5                                                      
CONECT   59    9                                                      
CONECT   60   11                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   17                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   24                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   29                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
CONECT   78   42                                                      
CONECT   79   45                                                      
CONECT   80   46                                                      
CONECT   81   48                                                      
CONECT   82   49                                                      
CONECT   83   50                                                      
CONECT   84   51                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
