COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.431   2.644  -0.106  1.00  0.00           O  
HETATM    2  C   UNL     1       3.159   1.879   0.479  1.00  0.00           C  
HETATM    3  O   UNL     1       4.136   2.353   1.268  1.00  0.00           O  
HETATM    4  C   UNL     1       4.259   3.796   1.370  1.00  0.00           C  
HETATM    5  C   UNL     1       2.967   0.391   0.330  1.00  0.00           C  
HETATM    6  C   UNL     1       4.238  -0.231  -0.250  1.00  0.00           C  
HETATM    7  C   UNL     1       4.092  -1.731  -0.286  1.00  0.00           C  
HETATM    8  C   UNL     1       3.508  -2.458  -1.258  1.00  0.00           C  
HETATM    9  N   UNL     1       3.586  -3.751  -0.911  1.00  0.00           N  
HETATM   10  C   UNL     1       4.195  -3.853   0.238  1.00  0.00           C  
HETATM   11  N   UNL     1       4.533  -2.616   0.661  1.00  0.00           N  
HETATM   12  N   UNL     1       1.841   0.133  -0.571  1.00  0.00           N  
HETATM   13  C   UNL     1       0.582   0.117  -0.090  1.00  0.00           C  
HETATM   14  O   UNL     1       0.382   0.316   1.089  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.576  -0.149  -1.017  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.831  -0.114  -0.255  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.097   1.237   0.258  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.322   2.178  -0.897  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.636   3.462  -0.665  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.220   1.776  -2.032  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.954  -0.599  -1.068  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.120  -0.927  -0.170  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.122   0.004   0.029  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.191  -0.296   0.852  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.257  -1.528   1.476  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.255  -2.459   1.276  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.189  -2.160   0.450  1.00  0.00           C  
HETATM   28  H   UNL     1       2.760  -0.048   1.305  1.00  0.00           H  
HETATM   29  H   UNL     1       4.451   4.215   0.382  1.00  0.00           H  
HETATM   30  H   UNL     1       3.333   4.213   1.768  1.00  0.00           H  
HETATM   31  H   UNL     1       5.085   4.045   2.036  1.00  0.00           H  
HETATM   32  H   UNL     1       4.397   0.142  -1.262  1.00  0.00           H  
HETATM   33  H   UNL     1       5.091   0.036   0.373  1.00  0.00           H  
HETATM   34  H   UNL     1       2.002  -0.027  -1.515  1.00  0.00           H  
HETATM   35  H   UNL     1       3.057  -2.068  -2.158  1.00  0.00           H  
HETATM   36  H   UNL     1       4.999  -2.395   1.482  1.00  0.00           H  
HETATM   37  H   UNL     1       4.399  -4.775   0.762  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.601   0.614  -1.795  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.456  -1.131  -1.475  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.986   1.217   0.889  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.244   1.578   0.844  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.249   0.174  -1.778  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.650  -1.494  -1.610  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.770   4.028  -1.438  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.070   0.966  -0.459  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.408  -2.889   0.291  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.973   0.431   1.008  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.092  -1.763   2.120  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.307  -3.421   1.764  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    5                                       
CONECT    3    2    4                                                 
CONECT    4    3   29   30   31                                       
CONECT    5    2    6   12   28                                       
CONECT    6    5    7   32   33                                       
CONECT    7    6    8    8   11                                       
CONECT    8    7    7    9   35                                       
CONECT    9    8   10   10                                            
CONECT   10    9    9   11   37                                       
CONECT   11    7   10   36                                            
CONECT   12    5   13   34                                            
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   38   39                                       
CONECT   16   15   17   21                                            
CONECT   17   16   18   40   41                                       
CONECT   18   17   19   20   20                                       
CONECT   19   18   44                                                 
CONECT   20   18   18                                                 
CONECT   21   16   22   42   43                                       
CONECT   22   21   23   27   27                                       
CONECT   23   22   24   24   45                                       
CONECT   24   23   23   25   47                                       
CONECT   25   24   26   26   48                                       
CONECT   26   25   25   27   49                                       
CONECT   27   22   22   26   46                                       
CONECT   28    5                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34   12                                                      
CONECT   35    8                                                      
CONECT   36   11                                                      
CONECT   37   10                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   19                                                      
CONECT   45   23                                                      
CONECT   46   27                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
