COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.866  -2.101   0.577  1.00  0.00           C  
HETATM    2  C   UNL     1       0.531  -1.962   0.124  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.201  -3.071   1.228  1.00  0.00           O  
HETATM    4  C   UNL     1       1.471  -1.317   0.932  1.00  0.00           C  
HETATM    5  C   UNL     1       2.784  -1.191   0.498  1.00  0.00           C  
HETATM    6  C   UNL     1       3.160  -1.706  -0.736  1.00  0.00           C  
HETATM    7  C   UNL     1       2.232  -2.346  -1.537  1.00  0.00           C  
HETATM    8  C   UNL     1       0.924  -2.482  -1.115  1.00  0.00           C  
HETATM    9  F   UNL     1       0.022  -3.113  -1.899  1.00  0.00           F  
HETATM   10  F   UNL     1       1.103  -0.816   2.132  1.00  0.00           F  
HETATM   11  N   UNL     1       3.729  -0.545   1.303  1.00  0.00           N  
HETATM   12  N   UNL     1      -1.770  -1.148   0.273  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.158  -1.285   0.723  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.696   0.106   0.998  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.793   0.486   0.315  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.432  -0.429  -0.658  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.936  -1.670  -0.891  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.891  -2.131  -0.292  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.634   1.690   0.254  1.00  0.00           C  
HETATM   20  N   UNL     1      -6.569   1.415  -0.632  1.00  0.00           N  
HETATM   21  N   UNL     1      -6.458   0.244  -1.137  1.00  0.00           N  
HETATM   22  O   UNL     1      -5.481   2.838   0.958  1.00  0.00           O  
HETATM   23  C   UNL     1      -6.435   3.876   0.723  1.00  0.00           C  
HETATM   24  S   UNL     1       4.918   0.375   0.609  1.00  0.00           S  
HETATM   25  C   UNL     1       4.122   1.665  -0.290  1.00  0.00           C  
HETATM   26  C   UNL     1       3.775   1.472  -1.614  1.00  0.00           C  
HETATM   27  C   UNL     1       3.151   2.484  -2.319  1.00  0.00           C  
HETATM   28  C   UNL     1       2.873   3.688  -1.700  1.00  0.00           C  
HETATM   29  C   UNL     1       3.218   3.880  -0.376  1.00  0.00           C  
HETATM   30  C   UNL     1       3.838   2.867   0.331  1.00  0.00           C  
HETATM   31  O   UNL     1       5.615   1.002   1.677  1.00  0.00           O  
HETATM   32  O   UNL     1       5.555  -0.452  -0.355  1.00  0.00           O  
HETATM   33  H   UNL     1       4.182  -1.607  -1.071  1.00  0.00           H  
HETATM   34  H   UNL     1       2.532  -2.743  -2.496  1.00  0.00           H  
HETATM   35  H   UNL     1       3.687  -0.636   2.268  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.502  -0.372  -0.243  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.221   0.764   1.712  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.539  -3.128  -0.516  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.197   4.736   1.349  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.401   4.170  -0.326  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.433   3.514   0.967  1.00  0.00           H  
HETATM   42  H   UNL     1       3.993   0.531  -2.098  1.00  0.00           H  
HETATM   43  H   UNL     1       2.881   2.333  -3.354  1.00  0.00           H  
HETATM   44  H   UNL     1       2.385   4.478  -2.252  1.00  0.00           H  
HETATM   45  H   UNL     1       3.001   4.821   0.108  1.00  0.00           H  
HETATM   46  H   UNL     1       4.105   3.016   1.367  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.146  -1.831   1.667  1.00  0.00           H  
CONECT    1    3    3    2   12                                       
CONECT    2    1    4    4    8                                       
CONECT    3    1    1                                                 
CONECT    4    2    2   10    5                                       
CONECT    5    4   11    6    6                                       
CONECT    6    5    5    7   33                                       
CONECT    7    6    8    8   34                                       
CONECT    8    2    7    7    9                                       
CONECT    9    8                                                      
CONECT   10    4                                                      
CONECT   11    5   24   35                                            
CONECT   12    1   13   36                                            
CONECT   13   12   18   14   47                                       
CONECT   14   13   15   15   37                                       
CONECT   15   14   14   16   19                                       
CONECT   16   15   17   21   21                                       
CONECT   17   16   18   18                                            
CONECT   18   13   17   17   38                                       
CONECT   19   15   22   20   20                                       
CONECT   20   19   19   21                                            
CONECT   21   16   16   20                                            
CONECT   22   19   23                                                 
CONECT   23   22   39   40   41                                       
CONECT   24   11   32   32   25                                       
CONECT   24   31   31                                                 
CONECT   25   24   26   26   30                                       
CONECT   26   25   25   27   42                                       
CONECT   27   26   28   28   43                                       
CONECT   28   27   27   29   44                                       
CONECT   29   28   30   30   45                                       
CONECT   30   25   29   29   46                                       
CONECT   31   24   24                                                 
CONECT   32   24   24                                                 
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   18                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
CONECT   41   23                                                      
CONECT   42   26                                                      
CONECT   43   27                                                      
CONECT   44   28                                                      
CONECT   45   29                                                      
CONECT   46   30                                                      
CONECT   47   13                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
