COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.252   1.847   0.025  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.840   3.142   0.178  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.491   3.448   0.307  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.543   2.465   0.285  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.932   1.131   0.130  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.394  -1.120  -0.042  1.00  0.00           C  
HETATM    7  C   UNL     1       2.962  -2.204   0.553  1.00  0.00           C  
HETATM    8  C   UNL     1       1.971  -0.503  -0.855  1.00  0.00           C  
HETATM    9  C   UNL     1       3.176   0.406  -0.605  1.00  0.00           C  
HETATM   10  C   UNL     1       6.730  -0.226   0.042  1.00  0.00           C  
HETATM   11  C   UNL     1       6.443   2.478  -0.141  1.00  0.00           C  
HETATM   12  C   UNL     1       0.576  -2.216   0.139  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.671  -1.329   0.136  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.306   0.824   0.005  1.00  0.00           C  
HETATM   15  C   UNL     1       7.848   0.574   0.195  1.00  0.00           C  
HETATM   16  C   UNL     1       5.498   0.373  -0.200  1.00  0.00           C  
HETATM   17  C   UNL     1       7.696   1.951   0.100  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.690  -0.585  -0.156  1.00  0.00           C  
HETATM   19  C   UNL     1       4.168  -1.294   0.803  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.029   0.130   0.103  1.00  0.00           N  
HETATM   21  N   UNL     1      -4.697  -1.505  -0.175  1.00  0.00           N  
HETATM   22  N   UNL     1       1.771  -1.378   0.308  1.00  0.00           N  
HETATM   23  N   UNL     1       4.367  -0.419  -0.361  1.00  0.00           N  
HETATM   24  N   UNL     1       5.393   1.691  -0.278  1.00  0.00           N  
HETATM   25  O   UNL     1      -6.857  -0.913  -0.269  1.00  0.00           O  
HETATM   26  S   UNL     1      -2.143  -2.361  -0.074  1.00  0.00           S  
HETATM   27  H   UNL     1      -7.303   1.619  -0.075  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.572   3.937   0.199  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.188   4.478   0.426  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.497   2.717   0.386  1.00  0.00           H  
HETATM   31  H   UNL     1       3.155  -2.832  -0.317  1.00  0.00           H  
HETATM   32  H   UNL     1       2.795  -2.834   1.427  1.00  0.00           H  
HETATM   33  H   UNL     1       1.081   0.107  -1.008  1.00  0.00           H  
HETATM   34  H   UNL     1       2.152  -1.112  -1.741  1.00  0.00           H  
HETATM   35  H   UNL     1       3.344   1.036  -1.479  1.00  0.00           H  
HETATM   36  H   UNL     1       2.984   1.034   0.264  1.00  0.00           H  
HETATM   37  H   UNL     1       6.814  -1.301   0.105  1.00  0.00           H  
HETATM   38  H   UNL     1       6.319   3.548  -0.211  1.00  0.00           H  
HETATM   39  H   UNL     1       0.513  -2.929   0.960  1.00  0.00           H  
HETATM   40  H   UNL     1       0.641  -2.754  -0.807  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.736  -0.791   1.081  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.608  -0.616  -0.686  1.00  0.00           H  
HETATM   43  H   UNL     1       8.818   0.138   0.384  1.00  0.00           H  
HETATM   44  H   UNL     1       8.549   2.604   0.214  1.00  0.00           H  
HETATM   45  H   UNL     1       3.987  -0.686   1.689  1.00  0.00           H  
HETATM   46  H   UNL     1       5.058  -1.905   0.957  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.913  -2.445  -0.279  1.00  0.00           H  
CONECT    1    2    2   14   27                                       
CONECT    2    3    1    1   28                                       
CONECT    3    4    4    2   29                                       
CONECT    4    3    3    5   30                                       
CONECT    5    4   20   14   14                                       
CONECT    6   26   20   20   21                                       
CONECT    7   19   22   31   32                                       
CONECT    8    9   22   33   34                                       
CONECT    9   23    8   35   36                                       
CONECT   10   15   16   16   37                                       
CONECT   11   17   24   24   38                                       
CONECT   12   22   13   39   40                                       
CONECT   13   12   26   41   42                                       
CONECT   14    5    5    1   18                                       
CONECT   15   17   17   10   43                                       
CONECT   16   10   10   24   23                                       
CONECT   17   15   15   11   44                                       
CONECT   18   14   21   25   25                                       
CONECT   19   23    7   45   46                                       
CONECT   20    5    6    6                                            
CONECT   21    6   18   47                                            
CONECT   22    8    7   12                                            
CONECT   23   16    9   19                                            
CONECT   24   11   11   16                                            
CONECT   25   18   18                                                 
CONECT   26   13    6                                                 
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
