COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.766  -3.065  -5.372  1.00  0.00           C  
HETATM    2  C   UNL     1       1.113  -2.629  -6.651  1.00  0.00           C  
HETATM    3  C   UNL     1       2.433  -2.280  -6.934  1.00  0.00           C  
HETATM    4  C   UNL     1       3.407  -2.367  -5.939  1.00  0.00           C  
HETATM    5  C   UNL     1       3.060  -2.803  -4.660  1.00  0.00           C  
HETATM    6  C   UNL     1       1.735  -3.157  -4.360  1.00  0.00           C  
HETATM    7  N   UNL     1       2.784  -1.838  -8.227  1.00  0.00           N1+
HETATM    8  O   UNL     1       1.841  -1.738  -9.241  1.00  0.00           O  
HETATM    9  O   UNL     1       4.086  -1.476  -8.541  1.00  0.00           O1-
HETATM   10  S   UNL     1       1.295  -3.707  -2.742  1.00  0.00           S  
HETATM   11  C   UNL     1       0.066  -2.421  -2.313  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.494  -2.673  -0.908  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.434  -1.539  -0.485  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.802  -0.169  -0.730  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.254  -0.072  -2.154  1.00  0.00           C  
HETATM   16  C   UNL     1       0.483   1.243  -2.388  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.226  -3.898  -0.906  1.00  0.00           O  
HETATM   18  O   UNL     1      -1.716  -1.651   0.911  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.784   0.845  -0.533  1.00  0.00           O  
HETATM   20  O   UNL     1       0.673  -1.132  -2.392  1.00  0.00           O  
HETATM   21  O   UNL     1       0.970   1.258  -3.717  1.00  0.00           O  
HETATM   22  H   UNL     1      -0.269  -3.331  -5.169  1.00  0.00           H  
HETATM   23  H   UNL     1       0.347  -2.564  -7.419  1.00  0.00           H  
HETATM   24  H   UNL     1       4.439  -2.097  -6.149  1.00  0.00           H  
HETATM   25  H   UNL     1       3.832  -2.864  -3.898  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.728  -2.496  -3.067  1.00  0.00           H  
HETATM   27  H   UNL     1       0.312  -2.764  -0.169  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.399  -1.621  -0.999  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.004   0.002   0.003  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.068  -0.125  -2.888  1.00  0.00           H  
HETATM   31  H   UNL     1       1.321   1.328  -1.696  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.198   2.082  -2.244  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.379  -4.128  -1.835  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.058  -0.788   1.190  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.781   1.392  -1.334  1.00  0.00           H  
HETATM   36  H   UNL     1       1.861   0.870  -3.699  1.00  0.00           H  
CONECT    1    2    2    6   22                                       
CONECT    2    1    1    3   23                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3    5   24                                       
CONECT    5    4    6    6   25                                       
CONECT    6    1    5    5   10                                       
CONECT    7    3    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7                                                      
CONECT   10    6   11                                                 
CONECT   11   10   12   20   26                                       
CONECT   12   11   13   17   27                                       
CONECT   13   12   14   18   28                                       
CONECT   14   13   15   19   29                                       
CONECT   15   14   16   20   30                                       
CONECT   16   15   21   31   32                                       
CONECT   17   12   33                                                 
CONECT   18   13   34                                                 
CONECT   19   14   35                                                 
CONECT   20   11   15                                                 
CONECT   21   16   36                                                 
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26   11                                                      
CONECT   27   12                                                      
CONECT   28   13                                                      
CONECT   29   14                                                      
CONECT   30   15                                                      
CONECT   31   16                                                      
CONECT   32   16                                                      
CONECT   33   17                                                      
CONECT   34   18                                                      
CONECT   35   19                                                      
CONECT   36   21                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
