COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.700  -1.448  -4.339  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.065  -0.027  -3.916  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.462   0.335  -4.414  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.970   0.111  -2.397  1.00  0.00           C  
HETATM    5  O   UNL     1      -1.924  -0.091  -1.650  1.00  0.00           O  
HETATM    6  N   UNL     1       0.301   0.481  -1.973  1.00  0.00           N  
HETATM    7  C   UNL     1       0.638   0.670  -0.585  1.00  0.00           C  
HETATM    8  C   UNL     1       0.484   2.131  -0.142  1.00  0.00           C  
HETATM    9  O   UNL     1       0.251   2.146   1.265  1.00  0.00           O  
HETATM   10  C   UNL     1       1.696   3.019  -0.494  1.00  0.00           C  
HETATM   11  O   UNL     1       1.777   3.159  -1.916  1.00  0.00           O  
HETATM   12  C   UNL     1       3.057   2.481   0.003  1.00  0.00           C  
HETATM   13  C   UNL     1       3.286   2.756   1.491  1.00  0.00           C  
HETATM   14  O   UNL     1       3.264   4.156   1.696  1.00  0.00           O  
HETATM   15  N   UNL     1       3.147   1.053  -0.247  1.00  0.00           N1+
HETATM   16  C   UNL     1       4.293   0.262  -0.237  1.00  0.00           C  
HETATM   17  C   UNL     1       2.050   0.226  -0.461  1.00  0.00           C  
HETATM   18  N   UNL     1       2.554  -1.056  -0.571  1.00  0.00           N  
HETATM   19  C   UNL     1       3.937  -1.024  -0.435  1.00  0.00           C  
HETATM   20  C   UNL     1       4.780  -2.237  -0.507  1.00  0.00           C  
HETATM   21  C   UNL     1       4.742  -2.940  -1.874  1.00  0.00           C  
HETATM   22  C   UNL     1       5.139  -2.040  -3.019  1.00  0.00           C  
HETATM   23  C   UNL     1       4.165  -1.303  -3.673  1.00  0.00           C  
HETATM   24  C   UNL     1       4.531  -0.471  -4.731  1.00  0.00           C  
HETATM   25  C   UNL     1       5.868  -0.387  -5.121  1.00  0.00           C  
HETATM   26  C   UNL     1       6.838  -1.135  -4.453  1.00  0.00           C  
HETATM   27  C   UNL     1       6.471  -1.967  -3.395  1.00  0.00           C  
HETATM   28  H   UNL     1      -0.775  -1.563  -5.426  1.00  0.00           H  
HETATM   29  H   UNL     1       0.325  -1.700  -4.048  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.364  -2.183  -3.870  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.351   0.674  -4.365  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.734   1.350  -4.105  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.221  -0.347  -4.015  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.509   0.292  -5.507  1.00  0.00           H  
HETATM   35  H   UNL     1       1.025   0.625  -2.673  1.00  0.00           H  
HETATM   36  H   UNL     1       0.000  -0.001  -0.001  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.413   2.553  -0.611  1.00  0.00           H  
HETATM   38  H   UNL     1       0.032   3.061   1.499  1.00  0.00           H  
HETATM   39  H   UNL     1       1.543   4.025  -0.085  1.00  0.00           H  
HETATM   40  H   UNL     1       2.484   2.564  -2.207  1.00  0.00           H  
HETATM   41  H   UNL     1       3.858   2.982  -0.556  1.00  0.00           H  
HETATM   42  H   UNL     1       4.254   2.360   1.794  1.00  0.00           H  
HETATM   43  H   UNL     1       2.495   2.291   2.078  1.00  0.00           H  
HETATM   44  H   UNL     1       3.671   4.566   0.914  1.00  0.00           H  
HETATM   45  H   UNL     1       5.265   0.700  -0.082  1.00  0.00           H  
HETATM   46  H   UNL     1       2.042  -1.911  -0.741  1.00  0.00           H  
HETATM   47  H   UNL     1       4.482  -2.942   0.284  1.00  0.00           H  
HETATM   48  H   UNL     1       5.822  -1.954  -0.293  1.00  0.00           H  
HETATM   49  H   UNL     1       5.386  -3.829  -1.854  1.00  0.00           H  
HETATM   50  H   UNL     1       3.728  -3.313  -2.066  1.00  0.00           H  
HETATM   51  H   UNL     1       3.121  -1.361  -3.376  1.00  0.00           H  
HETATM   52  H   UNL     1       7.233  -2.545  -2.881  1.00  0.00           H  
HETATM   53  H   UNL     1       3.776   0.112  -5.251  1.00  0.00           H  
HETATM   54  H   UNL     1       6.153   0.261  -5.945  1.00  0.00           H  
HETATM   55  H   UNL     1       7.878  -1.069  -4.757  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    1    3    4   31                                       
CONECT    3    2   32   33   34                                       
CONECT    4    2    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4    7   35                                            
CONECT    7    6    8   17   36                                       
CONECT    8    7    9   10   37                                       
CONECT    9    8   38                                                 
CONECT   10    8   11   12   39                                       
CONECT   11   10   40                                                 
CONECT   12   10   13   15   41                                       
CONECT   13   12   14   42   43                                       
CONECT   14   13   44                                                 
CONECT   15   12   16   17   17                                       
CONECT   16   15   19   19   45                                       
CONECT   17    7   15   15   18                                       
CONECT   18   17   19   46                                            
CONECT   19   16   16   18   20                                       
CONECT   20   19   21   47   48                                       
CONECT   21   20   22   49   50                                       
CONECT   22   21   23   27   27                                       
CONECT   23   22   24   24   51                                       
CONECT   24   23   23   25   53                                       
CONECT   25   24   26   26   54                                       
CONECT   26   25   25   27   55                                       
CONECT   27   22   22   26   52                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   27                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
