COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.435   0.449   0.330  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.750   1.085   0.295  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.352   2.365  -0.472  1.00  0.00           C  
HETATM    4  OD1 UNL     1       5.115  -2.336   1.456  1.00  0.00           O  
HETATM    5  CG  UNL     1       5.878  -2.672   0.581  1.00  0.00           C  
HETATM    6  OD2 UNL     1       6.313  -3.940   0.520  1.00  0.00           O  
HETATM    7  CB  UNL     1       6.341  -1.666  -0.440  1.00  0.00           C  
HETATM    8  CA  UNL     1       5.702  -0.307  -0.145  1.00  0.00           C  
HETATM    9  C   UNL     1       6.259   0.726  -1.091  1.00  0.00           C  
HETATM   10  OXT UNL     1       7.576   0.983  -1.103  1.00  0.00           O  
HETATM   11  O   UNL     1       5.520   1.322  -1.837  1.00  0.00           O  
HETATM   12  N   UNL     1       4.251  -0.401  -0.324  1.00  0.00           N  
HETATM   13  O   UNL     1       3.904   1.295   1.069  1.00  0.00           O  
HETATM   14  CA  UNL     1       1.985   0.359   0.146  1.00  0.00           C  
HETATM   15  N   UNL     1       1.325  -0.528  -0.648  1.00  0.00           N  
HETATM   16  C   UNL     1       0.047  -0.311  -0.561  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.182   0.727   0.294  1.00  0.00           N  
HETATM   18  C   UNL     1       1.027   1.158   0.754  1.00  0.00           C  
HETATM   19  N   UNL     1       1.254   2.191   1.641  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.491   1.273   0.659  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.533   0.312   0.381  1.00  0.00           O  
HETATM   22  O   UNL     1      -4.041   3.500   0.056  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.832   2.492  -0.227  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.536   3.710   0.460  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.819   0.310  -0.479  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.256  -0.805   0.299  1.00  0.00           O  
HETATM   27  P   UNL     1      -6.379  -1.842  -0.208  1.00  0.00           P  
HETATM   28  O   UNL     1      -5.830  -2.640  -1.495  1.00  0.00           O  
HETATM   29  O   UNL     1      -6.715  -2.888   0.969  1.00  0.00           O  
HETATM   30  O   UNL     1      -7.606  -1.100  -0.574  1.00  0.00           O  
HETATM   31  H   UNL     1      -4.111   1.337   1.292  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.559   2.253  -1.537  1.00  0.00           H  
HETATM   33  HD2 UNL     1       5.988  -4.549   1.197  1.00  0.00           H  
HETATM   34  HB1 UNL     1       7.426  -1.574  -0.394  1.00  0.00           H  
HETATM   35  HB2 UNL     1       6.047  -1.997  -1.436  1.00  0.00           H  
HETATM   36  HA  UNL     1       5.924  -0.017   0.882  1.00  0.00           H  
HETATM   37  HXT UNL     1       7.886   1.654  -1.727  1.00  0.00           H  
HETATM   38  H   UNL     1       3.878  -1.075  -0.913  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.717  -0.867  -1.085  1.00  0.00           H  
HETATM   40  H   UNL     1       0.507   2.693   2.002  1.00  0.00           H  
HETATM   41  H   UNL     1       2.161   2.416   1.902  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.504   1.555   1.712  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.828   4.332  -0.389  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.288   2.443  -1.170  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.786   4.507  -0.027  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.666   0.965  -0.684  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.399  -0.045  -1.421  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.026  -3.150  -1.328  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.385  -3.544   0.733  1.00  0.00           H  
CONECT    1   14   13   13   12                                       
CONECT    2    3   21   25   31                                       
CONECT    3   22    2   23   32                                       
CONECT    4    5    5                                                 
CONECT    5    4    4    7    6                                       
CONECT    6    5   33                                                 
CONECT    7    8    5   34   35                                       
CONECT    8   12    9    7   36                                       
CONECT    9   11   11    8   10                                       
CONECT   10    9   37                                                 
CONECT   11    9    9                                                 
CONECT   12    1    8   38                                            
CONECT   13    1    1                                                 
CONECT   14   18   18   15    1                                       
CONECT   15   16   16   14                                            
CONECT   16   17   15   15   39                                       
CONECT   17   20   18   16                                            
CONECT   18   19   17   14   14                                       
CONECT   19   18   40   41                                            
CONECT   20   21   23   17   42                                       
CONECT   21    2   20                                                 
CONECT   22    3   43                                                 
CONECT   23    3   20   24   44                                       
CONECT   24   23   45                                                 
CONECT   25    2   26   46   47                                       
CONECT   26   25   27                                                 
CONECT   27   26   30   30   29                                       
CONECT   27   28                                                      
CONECT   28   27   48                                                 
CONECT   29   27   49                                                 
CONECT   30   27   27                                                 
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   16                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
