COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.142  -0.690  -1.049  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.432  -0.225  -1.224  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.114   0.340  -0.162  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.505   0.440   1.075  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.215  -0.026   1.250  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.534  -0.590   0.188  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.128  -1.097   0.380  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.436  -0.610   0.324  1.00  0.00           C  
HETATM    9  C   UNL     1       0.704  -2.527   0.920  1.00  0.00           C  
HETATM   10  C   UNL     1       1.973  -0.673   0.431  1.00  0.00           C  
HETATM   11  C   UNL     1       0.796   0.052   0.178  1.00  0.00           C  
HETATM   12  C   UNL     1       2.466   1.396  -0.149  1.00  0.00           C  
HETATM   13  C1* UNL     1       4.436  -0.097   0.356  1.00  0.00           C  
HETATM   14  C2* UNL     1       5.003  -0.679  -0.964  1.00  0.00           C  
HETATM   15  C3* UNL     1       6.508  -0.329  -0.853  1.00  0.00           C  
HETATM   16  C4* UNL     1       6.553   0.824   0.169  1.00  0.00           C  
HETATM   17  C5* UNL     1       7.197   2.057  -0.468  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.428  -1.887   0.693  1.00  0.00           N  
HETATM   19  N   UNL     1       1.880  -1.948   0.796  1.00  0.00           N  
HETATM   20  N   UNL     1       1.168   1.307  -0.171  1.00  0.00           N  
HETATM   21  N   UNL     1       3.009   0.201   0.217  1.00  0.00           N  
HETATM   22  N   UNL     1      -8.495   0.839  -0.350  1.00  0.00           N1+
HETATM   23  O4* UNL     1       5.196   1.116   0.543  1.00  0.00           O  
HETATM   24  O5* UNL     1       7.341   3.082   0.518  1.00  0.00           O  
HETATM   25  O3* UNL     1       7.248  -1.453  -0.371  1.00  0.00           O  
HETATM   26  O2* UNL     1       4.812  -2.093  -1.022  1.00  0.00           O  
HETATM   27  O   UNL     1      -9.031   0.751  -1.441  1.00  0.00           O  
HETATM   28  O   UNL     1      -9.095   1.337   0.585  1.00  0.00           O1-
HETATM   29  S   UNL     1      -1.954   0.236   0.032  1.00  0.00           S  
HETATM   30  H   UNL     1      -4.612  -1.136  -1.877  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.908  -0.302  -2.191  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.037   0.881   1.904  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.740   0.052   2.217  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.000  -1.435   1.408  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.945  -1.929  -0.301  1.00  0.00           H  
HETATM   36  H   UNL     1       0.665  -3.564   1.218  1.00  0.00           H  
HETATM   37  H   UNL     1       3.030   2.286  -0.386  1.00  0.00           H  
HETATM   38  H1* UNL     1       4.605  -0.787   1.183  1.00  0.00           H  
HETATM   39  H2* UNL     1       4.554  -0.191  -1.829  1.00  0.00           H  
HETATM   40  H3* UNL     1       6.895  -0.001  -1.817  1.00  0.00           H  
HETATM   41  H4* UNL     1       7.123   0.519   1.046  1.00  0.00           H  
HETATM   42 H5*1 UNL     1       8.178   1.792  -0.862  1.00  0.00           H  
HETATM   43 H5*2 UNL     1       6.566   2.420  -1.279  1.00  0.00           H  
HETATM   44  H5* UNL     1       7.744   3.895   0.185  1.00  0.00           H  
HETATM   45  H3* UNL     1       8.187  -1.273  -0.227  1.00  0.00           H  
HETATM   46  H2* UNL     1       5.150  -2.503  -1.830  1.00  0.00           H  
CONECT    1    2    2    6   30                                       
CONECT    2    1    1    3   31                                       
CONECT    3    2   22    4    4                                       
CONECT    4    3    3    5   32                                       
CONECT    5    6    6    4   33                                       
CONECT    6    1    7    5    5                                       
CONECT    7   29    6   34   35                                       
CONECT    8   29   11   18   18                                       
CONECT    9   18   19   19   36                                       
CONECT   10   21   11   11   19                                       
CONECT   11   20   10   10    8                                       
CONECT   12   20   20   21   37                                       
CONECT   13   23   21   14   38                                       
CONECT   14   15   13   26   39                                       
CONECT   15   16   14   25   40                                       
CONECT   16   17   23   15   41                                       
CONECT   17   24   16   42   43                                       
CONECT   18    8    8    9                                            
CONECT   19   10    9    9                                            
CONECT   20   12   12   11                                            
CONECT   21   12   13   10                                            
CONECT   22   28    3   27   27                                       
CONECT   23   16   13                                                 
CONECT   24   17   44                                                 
CONECT   25   15   45                                                 
CONECT   26   14   46                                                 
CONECT   27   22   22                                                 
CONECT   28   22                                                      
CONECT   29    8    7                                                 
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
