COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.920  -1.020   1.198  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.225  -1.788   0.965  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.019  -1.075  -0.045  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.395  -0.754  -1.336  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.088   0.002  -1.078  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.203  -0.823  -0.140  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.295  -0.723   0.207  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.799  -0.994   1.276  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.096   0.007  -0.840  1.00  0.00           C  
HETATM   10  N   UNL     1       2.296  -0.542  -0.199  1.00  0.00           N  
HETATM   11  C   UNL     1       1.098  -0.098   0.090  1.00  0.00           C  
HETATM   12  O   UNL     1       1.245   1.118   0.625  1.00  0.00           O  
HETATM   13  N   UNL     1       2.420   1.414   0.670  1.00  0.00           N  
HETATM   14  C   UNL     1       3.147   0.440   0.179  1.00  0.00           C  
HETATM   15  C   UNL     1       4.620   0.419   0.060  1.00  0.00           C  
HETATM   16  C   UNL     1       5.447   1.410   0.450  1.00  0.00           C  
HETATM   17  C   UNL     1       6.786   1.161   0.237  1.00  0.00           C  
HETATM   18  C   UNL     1       7.060  -0.023  -0.322  1.00  0.00           C  
HETATM   19  S   UNL     1       5.566  -0.906  -0.605  1.00  0.00           S  
HETATM   20  N   UNL     1      -6.442   0.274  -0.327  1.00  0.00           N  
HETATM   21  N   UNL     1      -6.810   1.333  -0.237  1.00  0.00           N1+
HETATM   22  N   UNL     1      -7.178   2.391  -0.148  1.00  0.00           N1-
HETATM   23  H   UNL     1      -1.143  -0.048   1.638  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.280  -1.587   1.873  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.000  -2.793   0.610  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.787  -1.844   1.898  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.183  -1.676  -1.879  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.069  -0.129  -1.923  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.567   0.162  -2.022  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.309   0.964  -0.617  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.003  -1.795  -0.591  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.606   0.951  -1.081  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.165  -0.606  -1.739  1.00  0.00           H  
HETATM   34  H   UNL     1       5.089   2.328   0.893  1.00  0.00           H  
HETATM   35  H   UNL     1       7.557   1.869   0.502  1.00  0.00           H  
HETATM   36  H   UNL     1       8.050  -0.383  -0.560  1.00  0.00           H  
CONECT    1    6   23   24    2                                       
CONECT    2    1    3   25   26                                       
CONECT    3    2    4    7                                            
CONECT    4    3    5   27   28                                       
CONECT    5    4   29   30    6                                       
CONECT    6    1    5   11   31                                       
CONECT    7    3    9    8    8                                       
CONECT    8    7    7                                                 
CONECT    9    7   32   33   20                                       
CONECT   10   11   11   14                                            
CONECT   11    6   10   10   12                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   14                                            
CONECT   14   10   13   13   15                                       
CONECT   15   14   19   16   16                                       
CONECT   16   15   15   17   34                                       
CONECT   17   16   18   18   35                                       
CONECT   18   17   17   19   36                                       
CONECT   19   15   18                                                 
CONECT   20    9   21   21                                            
CONECT   21   20   20   22   22                                       
CONECT   22   21   21                                                 
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    2                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
