COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.651   2.068   1.628  1.00  0.00           O1-
HETATM    2  N   UNL     1       2.592   2.770   1.301  1.00  0.00           N1+
HETATM    3  O   UNL     1       3.100   3.523   2.113  1.00  0.00           O  
HETATM    4  C   UNL     1       3.121   2.702  -0.079  1.00  0.00           C  
HETATM    5  C   UNL     1       3.297   3.859  -0.809  1.00  0.00           C  
HETATM    6  C   UNL     1       3.792   3.798  -2.100  1.00  0.00           C  
HETATM    7  C   UNL     1       4.115   2.577  -2.667  1.00  0.00           C  
HETATM    8  C   UNL     1       3.944   1.413  -1.947  1.00  0.00           C  
HETATM    9  C   UNL     1       3.450   1.468  -0.643  1.00  0.00           C  
HETATM   10  C   UNL     1       3.269   0.225   0.136  1.00  0.00           C  
HETATM   11  O   UNL     1       2.955   0.282   1.309  1.00  0.00           O  
HETATM   12  N   UNL     1       3.453  -0.973  -0.454  1.00  0.00           N  
HETATM   13  S   UNL     1       3.250  -2.366   0.418  1.00  0.00           S  
HETATM   14  O   UNL     1       3.478  -3.441  -0.483  1.00  0.00           O  
HETATM   15  O   UNL     1       3.983  -2.194   1.624  1.00  0.00           O  
HETATM   16  O   UNL     1       1.782  -2.441   0.814  1.00  0.00           O  
HETATM   17  C   UNL     1       0.910  -2.806  -0.257  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.532  -2.849   0.252  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.963  -1.527   0.614  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.469  -3.346  -0.867  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.136  -4.544  -0.466  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.486  -2.193  -1.049  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.808  -2.705  -1.235  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.370  -1.441   0.301  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.780  -0.043   0.150  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.958   1.019  -0.084  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.656   2.114  -0.163  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.968   1.826   0.014  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.064   0.438   0.211  1.00  0.00           C  
HETATM   30  N   UNL     1      -5.261  -0.105   0.410  1.00  0.00           N  
HETATM   31  C   UNL     1      -6.343   0.644   0.424  1.00  0.00           C  
HETATM   32  N   UNL     1      -6.303   1.951   0.243  1.00  0.00           N  
HETATM   33  C   UNL     1      -5.152   2.582   0.033  1.00  0.00           C  
HETATM   34  N   UNL     1      -5.120   3.952  -0.161  1.00  0.00           N  
HETATM   35  H   UNL     1       3.048   4.815  -0.373  1.00  0.00           H  
HETATM   36  H   UNL     1       3.928   4.707  -2.668  1.00  0.00           H  
HETATM   37  H   UNL     1       4.500   2.536  -3.674  1.00  0.00           H  
HETATM   38  H   UNL     1       4.196   0.461  -2.390  1.00  0.00           H  
HETATM   39  H   UNL     1       3.703  -1.019  -1.390  1.00  0.00           H  
HETATM   40  H   UNL     1       0.990  -2.070  -1.058  1.00  0.00           H  
HETATM   41  H   UNL     1       1.191  -3.788  -0.637  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.600  -3.511   1.116  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.909  -3.510  -1.788  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.781  -4.869  -1.109  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.199  -1.548  -1.880  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.908  -3.259  -2.022  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.965  -1.936   1.069  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.884   0.960  -0.188  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.300   0.171   0.588  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.274   4.401  -0.312  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.944   4.463  -0.146  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    3    4    1                                       
CONECT    3    2    2                                                 
CONECT    4    5    2    9    9                                       
CONECT    5    6    6    4   35                                       
CONECT    6    5    5    7   36                                       
CONECT    7    6    8    8   37                                       
CONECT    8    7    7    9   38                                       
CONECT    9    4    4    8   10                                       
CONECT   10    9   12   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   39                                            
CONECT   13   12   15   15   16                                       
CONECT   13   14   14                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   17   13                                                 
CONECT   17   18   16   40   41                                       
CONECT   18   20   17   19   42                                       
CONECT   19   18   24                                                 
CONECT   20   21   22   18   43                                       
CONECT   21   20   44                                                 
CONECT   22   20   24   23   45                                       
CONECT   23   22   46                                                 
CONECT   24   25   22   19   47                                       
CONECT   25   26   29   24                                            
CONECT   26   27   27   25   48                                       
CONECT   27   28   26   26                                            
CONECT   28   27   33   33   29                                       
CONECT   29   28   25   30   30                                       
CONECT   30   29   29   31                                            
CONECT   31   32   32   30   49                                       
CONECT   32   33   31   31                                            
CONECT   33   34   28   28   32                                       
CONECT   34   33   50   51                                            
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39   12                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   26                                                      
CONECT   49   31                                                      
CONECT   50   34                                                      
CONECT   51   34                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
