COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.694  -0.845   0.057  1.00  0.00           C  
HETATM    2  N   UNL     1       2.986   0.862  -0.256  1.00  0.00           N  
HETATM    3  O   UNL     1       3.575   2.963   0.159  1.00  0.00           O  
HETATM    4  C   UNL     1       4.320   0.458  -0.335  1.00  0.00           C  
HETATM    5  N   UNL     1       1.400   2.514   0.196  1.00  0.00           N  
HETATM    6  O   UNL     1      -1.181   3.095   0.480  1.00  0.00           O  
HETATM    7  C   UNL     1       6.053  -1.234  -0.037  1.00  0.00           C  
HETATM    8  N   UNL     1       0.375   1.569   0.056  1.00  0.00           N  
HETATM    9  O   UNL     1      -6.024   1.961   0.447  1.00  0.00           O  
HETATM   10  C   UNL     1       3.746  -1.763   0.533  1.00  0.00           C  
HETATM   11  N   UNL     1      -5.742   0.790   0.265  1.00  0.00           N1+
HETATM   12  O   UNL     1      -6.623  -0.050   0.226  1.00  0.00           O1-
HETATM   13  C   UNL     1       5.284   1.329  -0.797  1.00  0.00           C  
HETATM   14  C   UNL     1       7.005  -0.316  -0.513  1.00  0.00           C  
HETATM   15  C   UNL     1       6.425  -2.534   0.348  1.00  0.00           C  
HETATM   16  C   UNL     1       4.142  -3.012   0.903  1.00  0.00           C  
HETATM   17  C   UNL     1       6.617   0.937  -0.879  1.00  0.00           C  
HETATM   18  C   UNL     1       2.686   2.143   0.037  1.00  0.00           C  
HETATM   19  C   UNL     1       5.477  -3.398   0.805  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.910   1.940   0.215  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.992   0.942   0.067  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.324   1.324   0.231  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.684  -0.384  -0.243  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.328   0.388   0.091  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.698  -1.309  -0.380  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.016  -0.926  -0.210  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.119  -1.943  -0.361  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.135  -1.444  -1.390  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.525  -3.272  -0.833  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.814  -2.145   0.987  1.00  0.00           C  
HETATM   31  H   UNL     1       2.275   0.221  -0.413  1.00  0.00           H  
HETATM   32  H   UNL     1       1.184   3.436   0.408  1.00  0.00           H  
HETATM   33  H   UNL     1       0.592   0.647  -0.155  1.00  0.00           H  
HETATM   34  H   UNL     1       2.706  -1.480   0.605  1.00  0.00           H  
HETATM   35  H   UNL     1       5.001   2.327  -1.098  1.00  0.00           H  
HETATM   36  H   UNL     1       8.043  -0.604  -0.588  1.00  0.00           H  
HETATM   37  H   UNL     1       7.457  -2.845   0.282  1.00  0.00           H  
HETATM   38  H   UNL     1       3.410  -3.716   1.269  1.00  0.00           H  
HETATM   39  H   UNL     1       7.355   1.636  -1.244  1.00  0.00           H  
HETATM   40  H   UNL     1       5.765  -4.396   1.101  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.569   2.349   0.467  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.655  -0.684  -0.375  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.461  -2.335  -0.619  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.877  -1.834  -2.374  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.132  -1.789  -1.112  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.122  -0.354  -1.415  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.801  -3.627  -0.100  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.322  -4.007  -0.942  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.030  -3.128  -1.793  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.924  -1.183   1.487  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.798  -2.586   0.826  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.215  -2.810   1.609  1.00  0.00           H  
CONECT    1    7    4   10   10                                       
CONECT    2   18    4   31                                            
CONECT    3   18   18                                                 
CONECT    4   13   13    1    2                                       
CONECT    5   18    8   32                                            
CONECT    6   20   20                                                 
CONECT    7   14   15   15    1                                       
CONECT    8    5   20   33                                            
CONECT    9   11   11                                                 
CONECT   10    1    1   16   34                                       
CONECT   11   12   24    9    9                                       
CONECT   12   11                                                      
CONECT   13   17    4    4   35                                       
CONECT   14   17   17    7   36                                       
CONECT   15    7    7   19   37                                       
CONECT   16   19   19   10   38                                       
CONECT   17   14   14   13   39                                       
CONECT   18    3    3    5    2                                       
CONECT   19   15   16   16   40                                       
CONECT   20    8    6    6   21                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21   24   41                                       
CONECT   23   21   25   25   42                                       
CONECT   24   22   11   26   26                                       
CONECT   25   23   23   26   43                                       
CONECT   26   24   24   25   27                                       
CONECT   27   26   29   30   28                                       
CONECT   28   27   44   45   46                                       
CONECT   29   27   47   48   49                                       
CONECT   30   27   50   51   52                                       
CONECT   31    2                                                      
CONECT   32    5                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   19                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   25                                                      
CONECT   44   28                                                      
CONECT   45   28                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
