COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -4.969   0.830   0.368  1.00  0.00           S  
HETATM    2  C   UNL     1      -3.464  -0.030   0.048  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.038  -0.219  -0.135  1.00  0.00           N  
HETATM    4  O   UNL     1       5.912  -2.145   0.813  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.104   0.536   0.131  1.00  0.00           C  
HETATM    6  N   UNL     1       0.391   1.553   0.274  1.00  0.00           N  
HETATM    7  O   UNL     1       7.198  -0.529   0.381  1.00  0.00           O1-
HETATM    8  C   UNL     1       0.182   0.288  -0.062  1.00  0.00           C  
HETATM    9  N   UNL     1       1.268  -0.523  -0.345  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.620   2.362   0.552  1.00  0.00           C  
HETATM   11  N   UNL     1       6.077  -1.005   0.418  1.00  0.00           N1+
HETATM   12  C   UNL     1      -1.912   1.877   0.489  1.00  0.00           C  
HETATM   13  N   UNL     1      -5.067  -1.557  -0.284  1.00  0.00           N  
HETATM   14  C   UNL     1       2.556   0.021  -0.385  1.00  0.00           C  
HETATM   15  C   UNL     1       3.645  -0.738   0.023  1.00  0.00           C  
HETATM   16  C   UNL     1       4.915  -0.198  -0.018  1.00  0.00           C  
HETATM   17  C   UNL     1       5.103   1.097  -0.467  1.00  0.00           C  
HETATM   18  C   UNL     1       4.021   1.855  -0.874  1.00  0.00           C  
HETATM   19  C   UNL     1       2.749   1.319  -0.840  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.779  -1.303  -0.285  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.862  -0.587   0.027  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.365  -0.691   0.081  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.740  -2.339  -0.627  1.00  0.00           C  
HETATM   24  H   UNL     1       1.136  -1.469  -0.514  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.436   3.391   0.825  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.754   2.516   0.710  1.00  0.00           H  
HETATM   27  H   UNL     1       3.499  -1.749   0.374  1.00  0.00           H  
HETATM   28  H   UNL     1       6.098   1.517  -0.498  1.00  0.00           H  
HETATM   29  H   UNL     1       4.171   2.866  -1.223  1.00  0.00           H  
HETATM   30  H   UNL     1       1.904   1.910  -1.162  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.781  -0.443  -0.896  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.650  -1.708   0.350  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.750   0.004   0.827  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.435  -2.862   0.280  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.160  -3.054  -1.334  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.874  -1.852  -1.074  1.00  0.00           H  
CONECT    1   21    2                                                 
CONECT    2    1   20   20    5                                       
CONECT    3    5    8    8                                            
CONECT    4   11   11                                                 
CONECT    5    3    2   12   12                                       
CONECT    6    8   10   10                                            
CONECT    7   11                                                      
CONECT    8    6    3    3    9                                       
CONECT    9    8   14   24                                            
CONECT   10    6    6   12   25                                       
CONECT   11    4    4    7   16                                       
CONECT   12   10    5    5   26                                       
CONECT   13   21   21   20                                            
CONECT   14    9   15   19   19                                       
CONECT   15   14   16   16   27                                       
CONECT   16   15   15   11   17                                       
CONECT   17   16   28   18   18                                       
CONECT   18   17   17   29   19                                       
CONECT   19   14   14   18   30                                       
CONECT   20    2    2   13   23                                       
CONECT   21    1   13   13   22                                       
CONECT   22   21   31   32   33                                       
CONECT   23   20   34   35   36                                       
CONECT   24    9                                                      
CONECT   25   10                                                      
CONECT   26   12                                                      
CONECT   27   15                                                      
CONECT   28   17                                                      
CONECT   29   18                                                      
CONECT   30   19                                                      
CONECT   31   22                                                      
CONECT   32   22                                                      
CONECT   33   22                                                      
CONECT   34   23                                                      
CONECT   35   23                                                      
CONECT   36   23                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
