COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.544   0.256   1.080  1.00  0.00           C  
HETATM    2  C   UNL     1       0.775  -1.005   0.056  1.00  0.00           C  
HETATM    3  C   UNL     1       3.373  -0.049   0.015  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.182  -3.324   0.187  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.856  -2.872   0.170  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.614  -1.518   0.079  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.075   1.044   0.597  1.00  0.00           C  
HETATM    8  C   UNL     1       4.985   1.349  -1.248  1.00  0.00           C  
HETATM    9  C   UNL     1       4.786   0.474  -0.009  1.00  0.00           C  
HETATM   10  C   UNL     1       1.618  -1.314  -1.012  1.00  0.00           C  
HETATM   11  C   UNL     1       1.249  -0.220   1.107  1.00  0.00           C  
HETATM   12  C   UNL     1       2.911  -0.832  -1.027  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.206  -2.457   0.105  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.758  -0.585   0.006  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.237  -0.291  -0.128  1.00  0.00           C  
HETATM   16  C   UNL     1       5.044   1.305   1.250  1.00  0.00           C  
HETATM   17  C   UNL     1       5.765  -0.702  -0.052  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.457   0.690  -0.032  1.00  0.00           N  
HETATM   19  N   UNL     1      -3.023  -1.101   0.001  1.00  0.00           N  
HETATM   20  O   UNL     1      -2.144   2.892   0.755  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.792   2.104  -1.502  1.00  0.00           O  
HETATM   22  S   UNL     1      -2.615   1.869  -0.112  1.00  0.00           S  
HETATM   23  H   UNL     1       2.912   0.864   1.893  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.384  -4.383   0.263  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.037  -3.573   0.228  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.962   1.660   0.444  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.922   0.872   1.662  1.00  0.00           H  
HETATM   28  H   UNL     1       4.289   2.187  -1.217  1.00  0.00           H  
HETATM   29  H   UNL     1       6.008   1.727  -1.265  1.00  0.00           H  
HETATM   30  H   UNL     1       4.802   0.757  -2.144  1.00  0.00           H  
HETATM   31  H   UNL     1       1.259  -1.928  -1.824  1.00  0.00           H  
HETATM   32  H   UNL     1       0.604   0.015   1.941  1.00  0.00           H  
HETATM   33  H   UNL     1       3.563  -1.067  -1.855  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.215  -2.843   0.122  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.078  -0.835   0.303  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.433  -0.106  -1.184  1.00  0.00           H  
HETATM   37  H   UNL     1       4.347   2.143   1.281  1.00  0.00           H  
HETATM   38  H   UNL     1       4.902   0.682   2.132  1.00  0.00           H  
HETATM   39  H   UNL     1       6.066   1.684   1.232  1.00  0.00           H  
HETATM   40  H   UNL     1       6.787  -0.324  -0.069  1.00  0.00           H  
HETATM   41  H   UNL     1       5.623  -1.325   0.831  1.00  0.00           H  
HETATM   42  H   UNL     1       5.581  -1.294  -0.949  1.00  0.00           H  
CONECT    1    3   11   11   23                                       
CONECT    2   10   10   11    6                                       
CONECT    3    9   12   12    1                                       
CONECT    4    5   13   13   24                                       
CONECT    5    6    6    4   25                                       
CONECT    6    2   14    5    5                                       
CONECT    7   22   15   26   27                                       
CONECT    8    9   28   29   30                                       
CONECT    9    8   17   16    3                                       
CONECT   10   12    2    2   31                                       
CONECT   11    1    1    2   32                                       
CONECT   12    3    3   10   33                                       
CONECT   13   19    4    4   34                                       
CONECT   14   18   18    6   19                                       
CONECT   15    7   19   35   36                                       
CONECT   16    9   37   38   39                                       
CONECT   17    9   40   41   42                                       
CONECT   18   22   14   14                                            
CONECT   19   14   15   13                                            
CONECT   20   22   22                                                 
CONECT   21   22   22                                                 
CONECT   22   21   21   18   20                                       
CONECT   22   20    7                                                 
CONECT   23    1                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    7                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
