COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.705  -2.342  -0.076  1.00  0.00           N  
HETATM    2  N   UNL     1      -0.154   1.129   0.112  1.00  0.00           N  
HETATM    3  N   UNL     1       3.731   2.796  -0.048  1.00  0.00           N  
HETATM    4  O   UNL     1       1.533   3.410   0.028  1.00  0.00           O  
HETATM    5  O   UNL     1      -7.457  -0.178   0.640  1.00  0.00           O  
HETATM    6  O   UNL     1      -6.452  -0.211  -1.611  1.00  0.00           O  
HETATM    7  C   UNL     1       1.019   0.438   0.074  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.388  -0.948   0.177  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.593  -1.609   0.229  1.00  0.00           C  
HETATM   10  C   UNL     1       6.303   0.083  -0.119  1.00  0.00           C  
HETATM   11  C   UNL     1       5.826   1.356  -0.112  1.00  0.00           C  
HETATM   12  C   UNL     1       4.724  -3.160  -0.032  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.565   1.137   0.202  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.183  -1.545   0.325  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.154   1.133   0.300  1.00  0.00           C  
HETATM   16  S   UNL     1       3.228  -2.340   0.016  1.00  0.00           S  
HETATM   17  C   UNL     1      -1.370   0.441   0.163  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.801  -0.909   0.268  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.786   0.466   0.255  1.00  0.00           C  
HETATM   20  C   UNL     1       2.409   2.563   0.003  1.00  0.00           C  
HETATM   21  C   UNL     1       2.206   1.110   0.023  1.00  0.00           C  
HETATM   22  C   UNL     1       5.427  -1.024  -0.077  1.00  0.00           C  
HETATM   23  C   UNL     1       4.454   1.608  -0.064  1.00  0.00           C  
HETATM   24  C   UNL     1       4.051  -0.784  -0.028  1.00  0.00           C  
HETATM   25  C   UNL     1       3.568   0.531  -0.022  1.00  0.00           C  
HETATM   26  S   UNL     1      -6.308  -0.199  -0.197  1.00  0.00           S  
HETATM   27  H   UNL     1       4.131   3.680  -0.070  1.00  0.00           H  
HETATM   28  H   UNL     1       1.010  -0.642   0.084  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.463  -1.505   0.152  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.605  -2.689   0.239  1.00  0.00           H  
HETATM   31  H   UNL     1       7.369  -0.086  -0.157  1.00  0.00           H  
HETATM   32  H   UNL     1       6.519   2.184  -0.145  1.00  0.00           H  
HETATM   33  H   UNL     1       4.828  -4.235  -0.027  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.551   2.217   0.193  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.246  -2.385  -0.367  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.417  -1.867   1.339  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.379   1.478   1.309  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.200   1.962  -0.406  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.146   2.099   0.102  1.00  0.00           H  
CONECT    1   22   12   12                                            
CONECT    2    7   17   39                                            
CONECT    3   23   20   27                                            
CONECT    4   20   20                                                 
CONECT    5   26   26                                                 
CONECT    6   26   26                                                 
CONECT    7   21   21    2   28                                       
CONECT    8   17   17    9   29                                       
CONECT    9    8   18   18   30                                       
CONECT   10   11   22   22   31                                       
CONECT   11   23   23   10   32                                       
CONECT   12    1    1   16   33                                       
CONECT   13   17   19   19   34                                       
CONECT   14   18   26   35   36                                       
CONECT   15   19   26   37   38                                       
CONECT   16   24   12                                                 
CONECT   17    2    8    8   13                                       
CONECT   18    9    9   19   14                                       
CONECT   19   13   13   18   15                                       
CONECT   20    3    4    4   21                                       
CONECT   21   20   25    7    7                                       
CONECT   22   10   10   24    1                                       
CONECT   23    3   11   11   25                                       
CONECT   24   25   25   22   16                                       
CONECT   25   23   21   24   24                                       
CONECT   26    5    5   14   15                                       
CONECT   26    6    6                                                 
CONECT   27    3                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39    2                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
