COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.031   0.028   0.315  1.00  0.00           C  
HETATM    2  C   UNL     1       1.115  -0.457   0.510  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.541  -3.205  -0.233  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.490  -0.134   0.321  1.00  0.00           C  
HETATM    5  C   UNL     1       0.924   0.949   0.111  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.463  -2.347   1.003  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.378   1.033  -0.027  1.00  0.00           C  
HETATM    8  C   UNL     1       1.916   1.889  -0.128  1.00  0.00           C  
HETATM    9  C   UNL     1       3.647   0.277  -0.753  1.00  0.00           C  
HETATM   10  C   UNL     1       4.262   2.312   0.422  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.581   1.305  -0.214  1.00  0.00           C  
HETATM   12  C   UNL     1       4.959  -0.099  -0.774  1.00  0.00           C  
HETATM   13  C   UNL     1       5.571   1.924   0.394  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.844   0.600   0.055  1.00  0.00           C  
HETATM   15  C   UNL     1       3.277   1.492  -0.153  1.00  0.00           C  
HETATM   16  C   UNL     1       5.930   0.719  -0.203  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.407   1.139   0.023  1.00  0.00           N  
HETATM   18  N   UNL     1      -0.130  -0.972   0.622  1.00  0.00           N  
HETATM   19  O   UNL     1      -2.980  -1.206   0.606  1.00  0.00           O  
HETATM   20  O   UNL     1       2.171  -1.033   0.699  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.339  -2.719  -1.320  1.00  0.00           O  
HETATM   22  O   UNL     1       7.232   0.339  -0.227  1.00  0.00           O1-
HETATM   23  S   UNL     1      -5.913   2.004  -0.364  1.00  0.00           S  
HETATM   24  H   UNL     1      -1.426  -2.359   1.515  1.00  0.00           H  
HETATM   25  H   UNL     1       0.307  -2.737   1.668  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.201   1.847   0.676  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.155   1.370  -1.039  1.00  0.00           H  
HETATM   28  H   UNL     1       1.652   2.923  -0.294  1.00  0.00           H  
HETATM   29  H   UNL     1       2.895  -0.356  -1.200  1.00  0.00           H  
HETATM   30  H   UNL     1       3.985   3.248   0.885  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.735   0.950   0.805  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.318   2.073  -0.447  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.690   0.473  -0.909  1.00  0.00           H  
HETATM   34  H   UNL     1       5.244  -1.033  -1.235  1.00  0.00           H  
HETATM   35  H   UNL     1       6.329   2.554   0.835  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.021  -0.215  -0.647  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.067   0.262   1.067  1.00  0.00           H  
HETATM   38  O   UNL     1      -0.836  -4.511  -0.126  1.00  0.00           O  
HETATM   39  H   UNL     1      -0.874  -5.021  -0.947  1.00  0.00           H  
CONECT    1    4   17   17   18                                       
CONECT    2    5   18   20   20                                       
CONECT    3    6   21   21   38                                       
CONECT    4    1    7   19   19                                       
CONECT    5    2    8    8   17                                       
CONECT    6    3   18   24   25                                       
CONECT    7    4   14   26   27                                       
CONECT    8    5    5   15   28                                       
CONECT    9   12   12   15   29                                       
CONECT   10   13   15   15   30                                       
CONECT   11   23   31   32   33                                       
CONECT   12    9    9   16   34                                       
CONECT   13   10   16   16   35                                       
CONECT   14    7   23   36   37                                       
CONECT   15    8    9   10   10                                       
CONECT   16   12   13   13   22                                       
CONECT   17    1    1    5                                            
CONECT   18    1    2    6                                            
CONECT   19    4    4                                                 
CONECT   20    2    2                                                 
CONECT   21    3    3                                                 
CONECT   22   16                                                      
CONECT   23   11   14                                                 
CONECT   24    6                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38    3   39                                                 
CONECT   39   38                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
