COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.729   1.841   0.045  1.00  0.00           C  
HETATM    2  O   UNL     1       2.652   2.522   1.046  1.00  0.00           O  
HETATM    3  C   UNL     1       4.075   1.556  -0.570  1.00  0.00           C  
HETATM    4  O   UNL     1       3.894   0.981  -1.866  1.00  0.00           O  
HETATM    5  C   UNL     1       4.845   0.578   0.319  1.00  0.00           C  
HETATM    6  C   UNL     1       6.147   0.173  -0.377  1.00  0.00           C  
HETATM    7  C   UNL     1       5.169   1.249   1.655  1.00  0.00           C  
HETATM    8  C   UNL     1       3.991  -0.667   0.567  1.00  0.00           C  
HETATM    9  P   UNL     1       8.286  -1.375   0.035  1.00  0.00           P  
HETATM   10  O   UNL     1       6.866  -0.741   0.454  1.00  0.00           O  
HETATM   11  O   UNL     1       9.237  -0.287  -0.286  1.00  0.00           O  
HETATM   12  O   UNL     1       8.863  -2.251   1.256  1.00  0.00           O  
HETATM   13  N   UNL     1       1.612   1.335  -0.513  1.00  0.00           N  
HETATM   14  C   UNL     1       0.317   1.512   0.149  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.779   0.847  -0.687  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.110   1.029  -0.006  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.177   1.631   1.045  1.00  0.00           O  
HETATM   18  N   UNL     1      -6.913   0.212  -0.076  1.00  0.00           N  
HETATM   19  C   UNL     1      -5.618   0.035  -0.738  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.522   0.700   0.098  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.228   0.523  -0.564  1.00  0.00           N  
HETATM   22  N   UNL     1     -10.442  -0.303  -0.931  1.00  0.00           N  
HETATM   23  C   UNL     1      -9.362  -0.112   0.047  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.030  -0.294  -0.635  1.00  0.00           C  
HETATM   25  O   UNL     1      -7.964  -0.896  -1.686  1.00  0.00           O  
HETATM   26  C   UNL     1      -9.504  -1.140   1.171  1.00  0.00           C  
HETATM   27  C   UNL     1     -10.856  -0.956   1.863  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.419  -2.551   0.585  1.00  0.00           C  
HETATM   29  H   UNL     1       4.637   2.485  -0.661  1.00  0.00           H  
HETATM   30  H   UNL     1       3.400   0.149  -1.862  1.00  0.00           H  
HETATM   31  H   UNL     1       5.916  -0.305  -1.329  1.00  0.00           H  
HETATM   32  H   UNL     1       1.665   0.854  -1.354  1.00  0.00           H  
HETATM   33  H   UNL     1       0.349   1.052   1.137  1.00  0.00           H  
HETATM   34  H   UNL     1       0.103   2.576   0.250  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.810   1.306  -1.675  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.564  -0.217  -0.788  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.966   0.693   0.765  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.403  -1.028  -0.839  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.650   0.495  -1.727  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.737   1.764   0.198  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.491   0.241   1.086  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.175   0.042  -1.405  1.00  0.00           H  
HETATM   43  H   UNL     1     -10.407  -1.228  -1.332  1.00  0.00           H  
HETATM   44  H   UNL     1     -11.343  -0.123  -0.513  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.422   0.893   0.464  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.703  -0.999   1.896  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.658  -1.097   1.137  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.958  -1.688   2.664  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.917   0.050   2.280  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.456  -2.683   0.093  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.521  -3.284   1.386  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.220  -2.693  -0.140  1.00  0.00           H  
HETATM   53  O   UNL     1       8.092  -2.316  -1.257  1.00  0.00           O  
HETATM   54  H   UNL     1       6.755   1.060  -0.554  1.00  0.00           H  
HETATM   55  H   UNL     1       4.242   1.467   2.186  1.00  0.00           H  
HETATM   56  H   UNL     1       5.784   0.581   2.258  1.00  0.00           H  
HETATM   57  H   UNL     1       5.710   2.178   1.473  1.00  0.00           H  
HETATM   58  H   UNL     1       3.761  -1.145  -0.385  1.00  0.00           H  
HETATM   59  H   UNL     1       4.540  -1.364   1.200  1.00  0.00           H  
HETATM   60  H   UNL     1       3.064  -0.379   1.062  1.00  0.00           H  
HETATM   61  H   UNL     1       9.719  -2.664   1.073  1.00  0.00           H  
HETATM   62  H   UNL     1       7.481  -3.053  -1.119  1.00  0.00           H  
CONECT    1    2    2    3   13                                       
CONECT    2    1    1                                                 
CONECT    3    4    5    1   29                                       
CONECT    4    3   30                                                 
CONECT    5    6    7    3    8                                       
CONECT    6   10    5   31   54                                       
CONECT    7    5   55   56   57                                       
CONECT    8    5   58   59   60                                       
CONECT    9   12   10   11   11                                       
CONECT    9   53                                                      
CONECT   10    9    6                                                 
CONECT   11    9    9                                                 
CONECT   12    9   61                                                 
CONECT   13    1   14   32                                            
CONECT   14   13   15   34   33                                       
CONECT   15   14   16   35   36                                       
CONECT   16   15   17   17   21                                       
CONECT   17   16   16                                                 
CONECT   18   19   24   37                                            
CONECT   19   20   18   38   39                                       
CONECT   20   21   19   40   41                                       
CONECT   21   16   20   42                                            
CONECT   22   23   43   44                                            
CONECT   23   22   24   26   45                                       
CONECT   24   18   23   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   23   27   28   46                                       
CONECT   27   26   47   48   49                                       
CONECT   28   26   50   51   52                                       
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53    9   62                                                 
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    8                                                      
CONECT   60    8                                                      
CONECT   61   12                                                      
CONECT   62   53                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
