COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.105   3.082  -2.105  1.00  0.00           O  
HETATM    2  O   UNL     1      -0.883   3.409  -0.584  1.00  0.00           O  
HETATM    3  P   UNL     1       0.306   2.557  -0.809  1.00  0.00           P  
HETATM    4  O   UNL     1       1.269   2.628   0.479  1.00  0.00           O  
HETATM    5  C   UNL     1       1.552   4.009   0.708  1.00  0.00           C  
HETATM    6  C   UNL     1       2.468   4.148   1.926  1.00  0.00           C  
HETATM    7  N   UNL     1       3.779   3.560   1.622  1.00  0.00           N1+
HETATM    8  C   UNL     1       4.318   4.170   0.399  1.00  0.00           C  
HETATM    9  C   UNL     1       4.699   3.810   2.740  1.00  0.00           C  
HETATM   10  C   UNL     1       3.632   2.112   1.423  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.161   1.035  -1.047  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.100   1.054  -2.124  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.586  -0.369  -2.403  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.382  -1.278  -2.660  1.00  0.00           C  
HETATM   15  O   UNL     1       0.538  -1.190  -1.540  1.00  0.00           O  
HETATM   16  C   UNL     1       1.673  -1.906  -1.547  1.00  0.00           C  
HETATM   17  O   UNL     1       1.929  -2.625  -2.484  1.00  0.00           O  
HETATM   18  C   UNL     1       2.629  -1.815  -0.385  1.00  0.00           C  
HETATM   19  C   UNL     1       3.832  -2.724  -0.641  1.00  0.00           C  
HETATM   20  C   UNL     1       4.802  -2.630   0.538  1.00  0.00           C  
HETATM   21  C   UNL     1       6.006  -3.539   0.281  1.00  0.00           C  
HETATM   22  C   UNL     1       6.976  -3.446   1.461  1.00  0.00           C  
HETATM   23  C   UNL     1       8.180  -4.355   1.204  1.00  0.00           C  
HETATM   24  C   UNL     1       9.150  -4.262   2.384  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.328  -0.861  -1.256  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.653  -0.663  -1.179  1.00  0.00           C  
HETATM   27  O   UNL     1      -4.229  -0.077  -2.064  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.423  -1.174   0.012  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.903  -0.820  -0.148  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.685  -1.337   1.061  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.165  -0.983   0.902  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.946  -1.501   2.111  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.426  -1.147   1.951  1.00  0.00           C  
HETATM   34  C   UNL     1     -11.208  -1.665   3.160  1.00  0.00           C  
HETATM   35  H   UNL     1       1.870   2.501  -2.216  1.00  0.00           H  
HETATM   36  H   UNL     1       2.047   4.428  -0.168  1.00  0.00           H  
HETATM   37  H   UNL     1       0.621   4.546   0.890  1.00  0.00           H  
HETATM   38  H   UNL     1       2.590   5.203   2.170  1.00  0.00           H  
HETATM   39  H   UNL     1       2.024   3.627   2.775  1.00  0.00           H  
HETATM   40  H   UNL     1       4.427   5.244   0.546  1.00  0.00           H  
HETATM   41  H   UNL     1       5.291   3.733   0.174  1.00  0.00           H  
HETATM   42  H   UNL     1       3.635   3.984  -0.430  1.00  0.00           H  
HETATM   43  H   UNL     1       5.672   3.374   2.514  1.00  0.00           H  
HETATM   44  H   UNL     1       4.808   4.884   2.887  1.00  0.00           H  
HETATM   45  H   UNL     1       4.299   3.357   3.647  1.00  0.00           H  
HETATM   46  H   UNL     1       3.113   1.925   0.484  1.00  0.00           H  
HETATM   47  H   UNL     1       4.618   1.647   1.392  1.00  0.00           H  
HETATM   48  H   UNL     1       3.057   1.688   2.247  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.620   1.456  -3.017  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.949   1.682  -1.854  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.233  -0.367  -3.280  1.00  0.00           H  
HETATM   52  H   UNL     1       0.123  -0.962  -3.572  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.722  -2.308  -2.770  1.00  0.00           H  
HETATM   54  H   UNL     1       2.123  -2.130   0.528  1.00  0.00           H  
HETATM   55  H   UNL     1       2.968  -0.785  -0.274  1.00  0.00           H  
HETATM   56  H   UNL     1       4.338  -2.408  -1.554  1.00  0.00           H  
HETATM   57  H   UNL     1       3.493  -3.753  -0.752  1.00  0.00           H  
HETATM   58  H   UNL     1       4.297  -2.946   1.450  1.00  0.00           H  
HETATM   59  H   UNL     1       5.142  -1.600   0.649  1.00  0.00           H  
HETATM   60  H   UNL     1       6.512  -3.223  -0.631  1.00  0.00           H  
HETATM   61  H   UNL     1       5.667  -4.569   0.171  1.00  0.00           H  
HETATM   62  H   UNL     1       6.470  -3.762   2.373  1.00  0.00           H  
HETATM   63  H   UNL     1       7.316  -2.416   1.571  1.00  0.00           H  
HETATM   64  H   UNL     1       8.686  -4.039   0.292  1.00  0.00           H  
HETATM   65  H   UNL     1       7.840  -5.385   1.094  1.00  0.00           H  
HETATM   66  H   UNL     1       9.490  -3.232   2.494  1.00  0.00           H  
HETATM   67  H   UNL     1       8.644  -4.578   3.296  1.00  0.00           H  
HETATM   68  H   UNL     1      10.008  -4.909   2.201  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.314  -2.256   0.079  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.035  -0.712   0.920  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.013   0.263  -0.215  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.291  -1.281  -1.056  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.575  -2.420   1.128  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.297  -0.876   1.969  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.274   0.099   0.835  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.553  -1.445  -0.007  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.837  -2.584   2.177  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.558  -1.040   3.019  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.536  -0.065   1.884  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.814  -1.608   1.043  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.099  -2.747   3.227  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.820  -1.204   4.068  1.00  0.00           H  
HETATM   83  H   UNL     1     -12.262  -1.413   3.046  1.00  0.00           H  
CONECT    1    3   35                                                 
CONECT    2    3    3                                                 
CONECT    3    1    2    2    4                                       
CONECT    3   11                                                      
CONECT    4    3    5                                                 
CONECT    5    4    6   36   37                                       
CONECT    6    5    7   38   39                                       
CONECT    7    6    8    9   10                                       
CONECT    8    7   40   41   42                                       
CONECT    9    7   43   44   45                                       
CONECT   10    7   46   47   48                                       
CONECT   11    3   12                                                 
CONECT   12   11   13   49   50                                       
CONECT   13   12   14   25   51                                       
CONECT   14   13   15   52   53                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   54   55                                       
CONECT   19   18   20   56   57                                       
CONECT   20   19   21   58   59                                       
CONECT   21   20   22   60   61                                       
CONECT   22   21   23   62   63                                       
CONECT   23   22   24   64   65                                       
CONECT   24   23   66   67   68                                       
CONECT   25   13   26                                                 
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   29   69   70                                       
CONECT   29   28   30   71   72                                       
CONECT   30   29   31   73   74                                       
CONECT   31   30   32   75   76                                       
CONECT   32   31   33   77   78                                       
CONECT   33   32   34   79   80                                       
CONECT   34   33   81   82   83                                       
CONECT   35    1                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
