COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.943   0.654   0.943  1.00  0.00           C  
HETATM    2  C   UNL     1       6.105   0.380  -0.142  1.00  0.00           C  
HETATM    3  C   UNL     1       6.562   0.694  -1.425  1.00  0.00           C  
HETATM    4  C   UNL     1       7.814   1.254  -1.572  1.00  0.00           C  
HETATM    5  N   UNL     1       8.577   1.492  -0.521  1.00  0.00           N1+
HETATM    6  C   UNL     1       8.183   1.210   0.707  1.00  0.00           C  
HETATM    7  C   UNL     1       2.437  -0.346  -0.508  1.00  0.00           C  
HETATM    8  C   UNL     1       2.262  -1.349   0.448  1.00  0.00           C  
HETATM    9  C   UNL     1       3.350  -1.789   1.206  1.00  0.00           C  
HETATM   10  C   UNL     1       4.593  -1.229   1.014  1.00  0.00           C  
HETATM   11  C   UNL     1       4.766  -0.223   0.064  1.00  0.00           C  
HETATM   12  C   UNL     1       3.680   0.217  -0.693  1.00  0.00           C  
HETATM   13  C   UNL     1       0.927  -1.950   0.653  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.122  -1.525  -0.079  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.445  -2.121   0.124  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.565  -3.395  -0.713  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.524  -1.125  -0.306  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.406   0.131   0.519  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.272   0.849   0.490  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.906  -1.746  -0.094  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.525   0.136   0.194  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.500   1.000  -0.306  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.908   0.888  -1.635  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.342  -0.073  -2.449  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.372  -0.923  -1.948  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.963  -0.816  -0.631  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.102   2.029   0.571  1.00  0.00           C  
HETATM   28  N   UNL     1      -8.035   2.849   0.092  1.00  0.00           N  
HETATM   29  N   UNL     1      -6.711   2.134   1.839  1.00  0.00           N1+
HETATM   30  O   UNL     1      -3.333   0.492   1.206  1.00  0.00           O  
HETATM   31  O   UNL     1       0.776  -2.826   1.481  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.159   2.059   1.285  1.00  0.00           C  
HETATM   33  O   UNL     1       9.856   2.068  -0.717  1.00  0.00           O1-
HETATM   34  H   UNL     1       6.627   0.427   1.951  1.00  0.00           H  
HETATM   35  H   UNL     1       5.943   0.502  -2.289  1.00  0.00           H  
HETATM   36  H   UNL     1       8.175   1.499  -2.560  1.00  0.00           H  
HETATM   37  H   UNL     1       8.840   1.421   1.539  1.00  0.00           H  
HETATM   38  H   UNL     1       1.597  -0.005  -1.094  1.00  0.00           H  
HETATM   39  H   UNL     1       3.216  -2.568   1.942  1.00  0.00           H  
HETATM   40  H   UNL     1       5.434  -1.568   1.600  1.00  0.00           H  
HETATM   41  H   UNL     1       3.815   0.997  -1.429  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.001  -0.826  -0.740  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.576  -2.365   1.179  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.796  -4.105  -0.406  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.549  -3.838  -0.562  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.434  -3.151  -1.767  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.393  -0.880  -1.360  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.960  -2.700  -0.620  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.072  -1.909   0.971  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.205   0.218   1.222  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.665   1.551  -2.027  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.657  -0.161  -3.478  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.932  -1.672  -2.589  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.430   3.523   0.668  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.321   2.772  -0.832  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.031   1.536   2.188  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.105   2.808   2.415  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.174   2.502   1.134  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.927   2.768   0.978  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.290   1.815   2.339  1.00  0.00           H  
CONECT    1    2    2    6   34                                       
CONECT    2    1    1    3   11                                       
CONECT    3    2    4    4   35                                       
CONECT    4    3    3    5   36                                       
CONECT    5    4    6    6   33                                       
CONECT    6    1    5    5   37                                       
CONECT    7    8    8   12   38                                       
CONECT    8    7    7    9   13                                       
CONECT    9    8   10   10   39                                       
CONECT   10    9    9   11   40                                       
CONECT   11    2   10   12   12                                       
CONECT   12    7   11   11   41                                       
CONECT   13    8   14   31   31                                       
CONECT   14   13   15   42                                            
CONECT   15   14   16   17   43                                       
CONECT   16   15   44   45   46                                       
CONECT   17   15   18   20   47                                       
CONECT   18   17   19   30   30                                       
CONECT   19   18   32                                                 
CONECT   20   17   26   48   49                                       
CONECT   21   22   22   26   50                                       
CONECT   22   21   21   23   27                                       
CONECT   23   22   24   24   51                                       
CONECT   24   23   23   25   52                                       
CONECT   25   24   26   26   53                                       
CONECT   26   20   21   25   25                                       
CONECT   27   22   28   29   29                                       
CONECT   28   27   54   55                                            
CONECT   29   27   27   56   57                                       
CONECT   30   18   18                                                 
CONECT   31   13   13                                                 
CONECT   32   19   58   59   60                                       
CONECT   33    5                                                      
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   32                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
