COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.119  -1.124  -0.045  1.00  0.00           C  
HETATM    2  N   UNL     1       0.077   0.979   0.026  1.00  0.00           N  
HETATM    3  C   UNL     1       2.497  -0.240  -0.535  1.00  0.00           C  
HETATM    4  C   UNL     1       4.748  -0.741   0.031  1.00  0.00           C  
HETATM    5  C   UNL     1       8.297  -1.739   0.134  1.00  0.00           C  
HETATM    6  C   UNL     1       1.344  -0.969  -0.437  1.00  0.00           C  
HETATM    7  C   UNL     1       0.479   4.149   0.367  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.239  -3.249  -0.131  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.702  -3.446   0.256  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.441  -2.628   0.150  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.488  -1.253   0.346  1.00  0.00           C  
HETATM   12  N   UNL     1      -4.703  -0.630   0.641  1.00  0.00           N  
HETATM   13  S   UNL     1      -5.025   0.881   0.046  1.00  0.00           S  
HETATM   14  C   UNL     1      -4.945   0.684  -1.756  1.00  0.00           C  
HETATM   15  O   UNL     1      -6.359   1.144   0.460  1.00  0.00           O  
HETATM   16  O   UNL     1      -3.944   1.678   0.509  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.329  -0.498   0.244  1.00  0.00           C  
HETATM   18  C   UNL     1       0.126  -0.324  -0.150  1.00  0.00           C  
HETATM   19  N   UNL     1       1.235   1.754  -0.068  1.00  0.00           N  
HETATM   20  C   UNL     1       2.441   1.160  -0.346  1.00  0.00           C  
HETATM   21  N   UNL     1       3.708  -0.868  -0.818  1.00  0.00           N  
HETATM   22  O   UNL     1       5.947  -1.261  -0.292  1.00  0.00           O  
HETATM   23  C   UNL     1       7.021  -1.086   0.670  1.00  0.00           C  
HETATM   24  O   UNL     1       4.602  -0.157   1.086  1.00  0.00           O  
HETATM   25  N   UNL     1       3.346   2.124  -0.372  1.00  0.00           N  
HETATM   26  N   UNL     1       2.773   3.251  -0.132  1.00  0.00           N  
HETATM   27  C   UNL     1       1.489   3.074   0.060  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.080  -2.505  -0.229  1.00  0.00           C  
HETATM   29  H   UNL     1       8.575  -1.270  -0.810  1.00  0.00           H  
HETATM   30  H   UNL     1       9.103  -1.608   0.856  1.00  0.00           H  
HETATM   31  H   UNL     1       8.122  -2.803  -0.026  1.00  0.00           H  
HETATM   32  H   UNL     1       1.368  -2.039  -0.578  1.00  0.00           H  
HETATM   33  H   UNL     1       0.403   4.279   1.446  1.00  0.00           H  
HETATM   34  H   UNL     1       0.796   5.087  -0.091  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.493   3.860  -0.034  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.206  -4.319  -0.274  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.838  -3.772   1.287  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.555  -2.839  -0.048  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.626  -4.317  -0.394  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.359  -1.083   1.195  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.147   1.642  -2.235  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.951   0.338  -2.040  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.689  -0.046  -2.075  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.364   0.572   0.387  1.00  0.00           H  
HETATM   45  H   UNL     1       3.804  -1.396  -1.626  1.00  0.00           H  
HETATM   46  H   UNL     1       6.743  -1.555   1.614  1.00  0.00           H  
HETATM   47  H   UNL     1       7.196  -0.023   0.830  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.142  -2.994  -0.449  1.00  0.00           H  
CONECT    1   17   17   28   18                                       
CONECT    2   18   18   19                                            
CONECT    3    6    6   21   20                                       
CONECT    4   24   24   22   21                                       
CONECT    5   23   29   30   31                                       
CONECT    6   18    3    3   32                                       
CONECT    7   27   33   34   35                                       
CONECT    8   10   28   28   36                                       
CONECT    9   10   37   38   39                                       
CONECT   10    9   11   11    8                                       
CONECT   11   12   10   10   17                                       
CONECT   12   13   11   40                                            
CONECT   13   14   16   16   15                                       
CONECT   13   15   12                                                 
CONECT   14   13   41   42   43                                       
CONECT   15   13   13                                                 
CONECT   16   13   13                                                 
CONECT   17   11    1    1   44                                       
CONECT   18    1    6    2    2                                       
CONECT   19    2   20   27                                            
CONECT   20    3   19   25   25                                       
CONECT   21    4    3   45                                            
CONECT   22   23    4                                                 
CONECT   23    5   22   46   47                                       
CONECT   24    4    4                                                 
CONECT   25   20   20   26                                            
CONECT   26   27   27   25                                            
CONECT   27   19    7   26   26                                       
CONECT   28    8    8    1   48                                       
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   17                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
