COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.821  -2.008   0.572  1.00  0.00           N  
HETATM    2  C   UNL     1       7.744  -0.731   0.899  1.00  0.00           C  
HETATM    3  N   UNL     1       6.634  -0.035   0.773  1.00  0.00           N  
HETATM    4  C   UNL     1       5.529  -0.603   0.301  1.00  0.00           C  
HETATM    5  C   UNL     1       5.560  -1.960  -0.062  1.00  0.00           C  
HETATM    6  C   UNL     1       6.768  -2.660   0.091  1.00  0.00           C  
HETATM    7  N   UNL     1       6.858  -3.999  -0.250  1.00  0.00           N  
HETATM    8  N   UNL     1       4.320  -2.282  -0.505  1.00  0.00           N  
HETATM    9  C   UNL     1       3.550  -1.236  -0.438  1.00  0.00           C  
HETATM   10  N   UNL     1       4.249  -0.174   0.053  1.00  0.00           N  
HETATM   11  P   UNL     1      -2.084   1.944   0.630  1.00  0.00           P  
HETATM   12  P   UNL     1      -4.136   0.125   0.207  1.00  0.00           P  
HETATM   13  P   UNL     1      -5.823  -2.246  -0.358  1.00  0.00           P  
HETATM   14  C   UNL     1       3.730   1.178   0.276  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.667   2.854  -0.382  1.00  0.00           O  
HETATM   16  O   UNL     1      -4.704   0.439   1.537  1.00  0.00           O  
HETATM   17  O   UNL     1      -6.780  -1.458  -1.167  1.00  0.00           O  
HETATM   18  C   UNL     1       4.041   2.067  -0.944  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.683   2.301   2.081  1.00  0.00           O  
HETATM   20  O   UNL     1      -4.788   1.099  -0.898  1.00  0.00           O  
HETATM   21  O   UNL     1      -5.497  -3.631  -1.111  1.00  0.00           O  
HETATM   22  C   UNL     1       2.651   2.550  -1.425  1.00  0.00           C  
HETATM   23  O   UNL     1       2.693   3.927  -1.804  1.00  0.00           O  
HETATM   24  N   UNL     1      -2.469   0.352   0.241  1.00  0.00           N  
HETATM   25  O   UNL     1      -4.462  -1.406  -0.168  1.00  0.00           O  
HETATM   26  O   UNL     1      -6.467  -2.557   1.084  1.00  0.00           O  
HETATM   27  C   UNL     1       1.781   2.352  -0.157  1.00  0.00           C  
HETATM   28  O   UNL     1       2.300   1.135   0.420  1.00  0.00           O  
HETATM   29  C   UNL     1       0.308   2.183  -0.536  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.484   2.119   0.652  1.00  0.00           O  
HETATM   31  H   UNL     1       8.625  -0.240   1.286  1.00  0.00           H  
HETATM   32  H   UNL     1       7.698  -4.471  -0.139  1.00  0.00           H  
HETATM   33  H   UNL     1       6.082  -4.464  -0.599  1.00  0.00           H  
HETATM   34  H   UNL     1       2.510  -1.212  -0.729  1.00  0.00           H  
HETATM   35  H   UNL     1       4.182   1.606   1.171  1.00  0.00           H  
HETATM   36  H   UNL     1       4.659   2.915  -0.650  1.00  0.00           H  
HETATM   37  H   UNL     1       4.536   1.486  -1.722  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.345   1.743   2.795  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.461   0.950  -1.795  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.273  -4.190  -1.259  1.00  0.00           H  
HETATM   41  H   UNL     1       2.288   1.933  -2.247  1.00  0.00           H  
HETATM   42  H   UNL     1       3.295   4.115  -2.537  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.049   0.083  -0.637  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.893  -3.071   1.668  1.00  0.00           H  
HETATM   45  H   UNL     1       1.907   3.189   0.529  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.011   3.033  -1.140  1.00  0.00           H  
HETATM   47  H   UNL     1       0.183   1.263  -1.106  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    3   31                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3   10    5                                       
CONECT    5    4    8    6    6                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6   32   33                                            
CONECT    8    5    9    9                                            
CONECT    9    8    8   10   34                                       
CONECT   10    4    9   14                                            
CONECT   11   30   15   15   19                                       
CONECT   11   24                                                      
CONECT   12   16   16   24   20                                       
CONECT   12   25                                                      
CONECT   13   17   17   25   21                                       
CONECT   13   26                                                      
CONECT   14   10   28   18   35                                       
CONECT   15   11   11                                                 
CONECT   16   12   12                                                 
CONECT   17   13   13                                                 
CONECT   18   14   22   36   37                                       
CONECT   19   11   38                                                 
CONECT   20   12   39                                                 
CONECT   21   13   40                                                 
CONECT   22   18   27   23   41                                       
CONECT   23   22   42                                                 
CONECT   24   11   12   43                                            
CONECT   25   12   13                                                 
CONECT   26   13   44                                                 
CONECT   27   22   28   29   45                                       
CONECT   28   14   27                                                 
CONECT   29   27   30   46   47                                       
CONECT   30   11   29                                                 
CONECT   31    2                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35   14                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   29                                                      
CONECT   47   29                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
