COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -7.501   0.723   1.120  1.00  0.00           N  
HETATM    2  C   UNL     1      -6.909  -0.443   1.308  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.660  -0.665   0.960  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.933   0.293   0.394  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.517   1.552   0.172  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.854   1.741   0.562  1.00  0.00           C  
HETATM    7  N   UNL     1      -7.482   2.959   0.368  1.00  0.00           N  
HETATM    8  N   UNL     1      -4.574   2.333  -0.407  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.475   1.650  -0.552  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.646   0.386  -0.072  1.00  0.00           N  
HETATM   11  O   UNL     1       7.194   2.957  -0.797  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.067  -3.286  -1.655  1.00  0.00           O  
HETATM   13  O   UNL     1      -3.486  -2.729  -1.086  1.00  0.00           O  
HETATM   14  O   UNL     1       5.562   2.240  -1.926  1.00  0.00           O1-
HETATM   15  C   UNL     1       6.867  -0.173   1.931  1.00  0.00           C  
HETATM   16  C   UNL     1       5.867  -1.106   1.732  1.00  0.00           C  
HETATM   17  C   UNL     1       7.013   0.882   1.050  1.00  0.00           C  
HETATM   18  C   UNL     1       5.159   0.069  -0.230  1.00  0.00           C  
HETATM   19  C   UNL     1       3.923  -2.003   0.435  1.00  0.00           C  
HETATM   20  C   UNL     1       0.841  -0.611  -1.140  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.311  -0.116  -0.096  1.00  0.00           O  
HETATM   22  S   UNL     1       2.419  -1.471   1.297  1.00  0.00           S  
HETATM   23  S   UNL     1       1.805   0.147   0.197  1.00  0.00           S  
HETATM   24  C   UNL     1       5.013  -0.985   0.652  1.00  0.00           C  
HETATM   25  C   UNL     1       6.159   1.003  -0.031  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.276  -1.873  -1.685  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.744  -1.535  -1.340  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.460  -1.181  -0.571  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.640  -0.679  -0.058  1.00  0.00           C  
HETATM   30  N   UNL     1       6.314   2.134  -0.973  1.00  0.00           N1+
HETATM   31  H   UNL     1      -7.472  -1.243   1.766  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.405   3.077   0.641  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.999   3.694  -0.040  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.563   2.030  -0.987  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.602  -3.776  -2.295  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.532  -3.332  -1.841  1.00  0.00           H  
HETATM   37  H   UNL     1       7.532  -0.266   2.777  1.00  0.00           H  
HETATM   38  H   UNL     1       5.753  -1.930   2.421  1.00  0.00           H  
HETATM   39  H   UNL     1       7.794   1.611   1.205  1.00  0.00           H  
HETATM   40  H   UNL     1       4.493   0.163  -1.074  1.00  0.00           H  
HETATM   41  H   UNL     1       4.244  -2.968   0.827  1.00  0.00           H  
HETATM   42  H   UNL     1       3.718  -2.094  -0.632  1.00  0.00           H  
HETATM   43  H   UNL     1       0.609   0.143  -1.892  1.00  0.00           H  
HETATM   44  H   UNL     1       1.421  -1.413  -1.596  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.011  -1.469  -2.662  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.204  -0.964  -2.146  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.245  -1.883   0.235  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.762  -1.303   0.828  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    3   31                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   10                                       
CONECT    5    4    6    6    8                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6   32   33                                            
CONECT    8    5    9    9                                            
CONECT    9    8    8   10   34                                       
CONECT   10    4    9   29                                            
CONECT   11   30   30                                                 
CONECT   12   26   35                                                 
CONECT   13   27   36                                                 
CONECT   14   30                                                      
CONECT   15   16   16   17   37                                       
CONECT   16   15   15   24   38                                       
CONECT   17   15   25   25   39                                       
CONECT   18   24   24   25   40                                       
CONECT   19   22   24   41   42                                       
CONECT   20   23   28   43   44                                       
CONECT   21   28   29                                                 
CONECT   22   19   23                                                 
CONECT   23   20   22                                                 
CONECT   24   16   18   18   19                                       
CONECT   25   17   17   18   30                                       
CONECT   26   12   27   28   45                                       
CONECT   27   13   26   29   46                                       
CONECT   28   20   21   26   47                                       
CONECT   29   10   21   27   48                                       
CONECT   30   11   11   14   25                                       
CONECT   31    2                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   29                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
