COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.310   1.687  -0.328  1.00  0.00           C  
HETATM    2  C   UNL     1       3.404   0.746  -0.018  1.00  0.00           C  
HETATM    3  C   UNL     1       4.249   0.295  -1.036  1.00  0.00           C  
HETATM    4  C   UNL     1       5.272  -0.586  -0.742  1.00  0.00           C  
HETATM    5  C   UNL     1       5.460  -1.023   0.570  1.00  0.00           C  
HETATM    6  C   UNL     1       4.619  -0.575   1.580  1.00  0.00           C  
HETATM    7  C   UNL     1       3.601   0.309   1.294  1.00  0.00           C  
HETATM    8  O   UNL     1       6.219  -1.167  -1.535  1.00  0.00           O  
HETATM    9  C   UNL     1       7.236  -1.641  -0.633  1.00  0.00           C  
HETATM   10  O   UNL     1       6.522  -1.878   0.595  1.00  0.00           O  
HETATM   11  O   UNL     1       2.490   2.588  -1.124  1.00  0.00           O  
HETATM   12  N   UNL     1       1.109   1.544   0.268  1.00  0.00           N  
HETATM   13  C   UNL     1       0.832   0.393   1.140  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.475  -0.262   0.681  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.537   0.752   0.635  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.234   1.796  -0.354  1.00  0.00           C  
HETATM   17  C   UNL     1       0.044   2.538   0.067  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.772   0.169   0.381  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.868  -1.210   0.210  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.080  -1.785  -0.039  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.236  -0.988  -0.125  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.132   0.395   0.048  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.913   0.963   0.303  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.497   1.025  -0.089  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.475  -0.125  -0.368  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.629  -1.375  -0.381  1.00  0.00           C  
HETATM   27  O   UNL     1      -7.031  -2.504  -0.570  1.00  0.00           O  
HETATM   28  H   UNL     1       4.102   0.634  -2.051  1.00  0.00           H  
HETATM   29  H   UNL     1       4.767  -0.915   2.594  1.00  0.00           H  
HETATM   30  H   UNL     1       2.950   0.655   2.082  1.00  0.00           H  
HETATM   31  H   UNL     1       7.676  -2.567  -1.004  1.00  0.00           H  
HETATM   32  H   UNL     1       1.647  -0.327   1.067  1.00  0.00           H  
HETATM   33  H   UNL     1       0.730   0.731   2.171  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.339  -0.691  -0.311  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.754  -1.048   1.383  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.087   1.338  -1.332  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.064   2.501  -0.404  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.132   3.078   0.997  1.00  0.00           H  
HETATM   39  H   UNL     1       0.338   3.237  -0.716  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.983  -1.824   0.275  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.151  -2.854  -0.171  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.836   2.031   0.440  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.770   1.532   0.837  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.224  -0.184   0.422  1.00  0.00           H  
HETATM   45  H   UNL     1       8.004  -0.881  -0.489  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.503   1.731  -0.919  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.957   0.016  -1.335  1.00  0.00           H  
CONECT    1   11   11    2   12                                       
CONECT    2    3    3    7    1                                       
CONECT    3    4    2    2   28                                       
CONECT    4    8    5    5    3                                       
CONECT    5   10    4    4    6                                       
CONECT    6    5    7    7   29                                       
CONECT    7    6    6    2   30                                       
CONECT    8    9    4                                                 
CONECT    9    8   10   31   45                                       
CONECT   10    9    5                                                 
CONECT   11    1    1                                                 
CONECT   12    1   13   17                                            
CONECT   13   12   14   32   33                                       
CONECT   14   13   15   34   35                                       
CONECT   15   14   16   18                                            
CONECT   16   17   15   36   37                                       
CONECT   17   12   16   38   39                                       
CONECT   18   15   19   19   23                                       
CONECT   19   18   18   20   40                                       
CONECT   20   19   21   21   41                                       
CONECT   21   20   20   22   26                                       
CONECT   22   23   23   21   24                                       
CONECT   23   18   22   22   42                                       
CONECT   24   22   25   43   46                                       
CONECT   25   24   26   44   47                                       
CONECT   26   21   27   27   25                                       
CONECT   27   26   26                                                 
CONECT   28    3                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    9                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45    9                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
