COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.819   1.532   0.004  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.195   1.640   0.008  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.988   0.504  -0.005  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.412  -0.747  -0.022  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.021  -0.874  -0.026  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.220   0.279  -0.019  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.836   0.167  -0.024  1.00  0.00           N  
HETATM    8  N   UNL     1      -6.463   0.637   0.000  1.00  0.00           N1+
HETATM    9  O   UNL     1      -7.163  -0.360  -0.011  1.00  0.00           O  
HETATM   10  O   UNL     1      -6.975   1.741   0.015  1.00  0.00           O1-
HETATM   11  C   UNL     1      -2.398  -2.210  -0.044  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.166  -3.313   0.066  1.00  0.00           N  
HETATM   13  O   UNL     1      -1.192  -2.318  -0.157  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.004   1.365   0.107  1.00  0.00           C  
HETATM   15  C   UNL     1       4.120   0.253   0.011  1.00  0.00           C  
HETATM   16  C   UNL     1       3.459   0.558  -1.164  1.00  0.00           C  
HETATM   17  C   UNL     1       2.125   0.918  -1.133  1.00  0.00           C  
HETATM   18  C   UNL     1       1.451   0.973   0.073  1.00  0.00           C  
HETATM   19  C   UNL     1       2.112   0.668   1.248  1.00  0.00           C  
HETATM   20  C   UNL     1       3.445   0.302   1.217  1.00  0.00           C  
HETATM   21  S   UNL     1       5.820  -0.206  -0.028  1.00  0.00           S  
HETATM   22  O   UNL     1       6.059  -0.964   1.150  1.00  0.00           O  
HETATM   23  O   UNL     1       6.072  -0.703  -1.335  1.00  0.00           O  
HETATM   24  N   UNL     1       6.707   1.184   0.122  1.00  0.00           N  
HETATM   25  H   UNL     1      -2.208   2.422   0.014  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.656   2.617   0.021  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.036  -1.629  -0.031  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.420  -0.705  -0.113  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.128  -3.227   0.156  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.756  -4.192   0.054  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.215   2.046  -0.718  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.225   1.860   1.053  1.00  0.00           H  
HETATM   33  H   UNL     1       3.985   0.514  -2.106  1.00  0.00           H  
HETATM   34  H   UNL     1       1.608   1.156  -2.051  1.00  0.00           H  
HETATM   35  H   UNL     1       1.586   0.711   2.191  1.00  0.00           H  
HETATM   36  H   UNL     1       3.961   0.064   2.135  1.00  0.00           H  
HETATM   37  H   UNL     1       6.257   2.039   0.210  1.00  0.00           H  
HETATM   38  H   UNL     1       7.676   1.144   0.123  1.00  0.00           H  
CONECT    1    2   25    6    6                                       
CONECT    2    1   26    3    3                                       
CONECT    3    8    2    2    4                                       
CONECT    4    3   27    5    5                                       
CONECT    5    4    4    6   11                                       
CONECT    6    5    1    1    7                                       
CONECT    7    6   14   28                                            
CONECT    8    3   10    9    9                                       
CONECT    9    8    8                                                 
CONECT   10    8                                                      
CONECT   11    5   12   13   13                                       
CONECT   12   11   29   30                                            
CONECT   13   11   11                                                 
CONECT   14    7   18   31   32                                       
CONECT   15   16   21   20   20                                       
CONECT   16   15   33   17   17                                       
CONECT   17   16   16   34   18                                       
CONECT   18   14   17   19   19                                       
CONECT   19   18   18   20   35                                       
CONECT   20   19   15   15   36                                       
CONECT   21   15   24   23   23                                       
CONECT   21   22   22                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   21   37   38                                            
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    4                                                      
CONECT   28    7                                                      
CONECT   29   12                                                      
CONECT   30   12                                                      
CONECT   31   14                                                      
CONECT   32   14                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   19                                                      
CONECT   36   20                                                      
CONECT   37   24                                                      
CONECT   38   24                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
