COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.965  -0.285  -0.012  1.00  0.00           C  
HETATM    2  C   UNL     1       5.776  -1.431   0.770  1.00  0.00           C  
HETATM    3  C   UNL     1       4.517  -1.868   1.067  1.00  0.00           C  
HETATM    4  C   UNL     1       3.409  -1.175   0.594  1.00  0.00           C  
HETATM    5  C   UNL     1       3.579  -0.021  -0.193  1.00  0.00           C  
HETATM    6  C   UNL     1       4.868   0.421  -0.494  1.00  0.00           C  
HETATM    7  C   UNL     1       7.334   0.177  -0.325  1.00  0.00           C  
HETATM    8  N   UNL     1       8.386  -0.498   0.136  1.00  0.00           N  
HETATM    9  N   UNL     1       7.515   1.267  -1.068  1.00  0.00           N1+
HETATM   10  N   UNL     1       2.047  -1.358   0.718  1.00  0.00           N  
HETATM   11  N   UNL     1       2.342   0.434  -0.511  1.00  0.00           N  
HETATM   12  C   UNL     1       1.436  -0.346   0.027  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.025  -0.164  -0.098  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.579   1.116  -0.037  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.943   1.287  -0.155  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.533   2.673  -0.089  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.960   3.516  -1.199  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.148   3.036  -1.972  1.00  0.00           O  
HETATM   19  O   UNL     1      -2.308   4.678  -1.324  1.00  0.00           O1-
HETATM   20  C   UNL     1      -2.193   3.308   1.261  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.884   4.642   1.377  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.615   5.066   0.422  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.737   5.347   2.429  1.00  0.00           O1-
HETATM   24  C   UNL     1      -2.772   0.196  -0.333  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.237  -1.088  -0.396  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.858  -1.274  -0.272  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.329  -2.522  -0.332  1.00  0.00           O1-
HETATM   28  C   UNL     1      -3.130  -2.257  -0.587  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.246  -3.224   0.417  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.083  -4.312   0.230  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.796  -4.443  -0.946  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.679  -3.491  -1.944  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.850  -2.402  -1.771  1.00  0.00           C  
HETATM   34  O   UNL     1      -2.545  -3.093   1.573  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.877  -4.220   2.387  1.00  0.00           C  
HETATM   36  H   UNL     1       6.633  -1.974   1.141  1.00  0.00           H  
HETATM   37  H   UNL     1       4.382  -2.753   1.670  1.00  0.00           H  
HETATM   38  H   UNL     1       5.013   1.306  -1.097  1.00  0.00           H  
HETATM   39  H   UNL     1       9.284  -0.195  -0.069  1.00  0.00           H  
HETATM   40  H   UNL     1       8.253  -1.292   0.678  1.00  0.00           H  
HETATM   41  H   UNL     1       6.749   1.758  -1.404  1.00  0.00           H  
HETATM   42  H   UNL     1       8.414   1.570  -1.274  1.00  0.00           H  
HETATM   43  H   UNL     1       1.605  -2.072   1.204  1.00  0.00           H  
HETATM   44  H   UNL     1       0.062   1.975   0.102  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.615   2.613  -0.200  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.530   2.654   2.065  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.115   3.449   1.335  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.839   0.340  -0.425  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.178  -5.059   1.005  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.447  -5.294  -1.089  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.239  -3.601  -2.861  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.761  -1.660  -2.551  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.336  -4.159   3.331  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.950  -4.223   2.583  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.600  -5.137   1.868  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3   36                                       
CONECT    3    2    4    4   37                                       
CONECT    4    3    3    5   10                                       
CONECT    5    4    6    6   11                                       
CONECT    6    1    5    5   38                                       
CONECT    7    1    8    9    9                                       
CONECT    8    7   39   40                                            
CONECT    9    7    7   41   42                                       
CONECT   10    4   12   43                                            
CONECT   11    5   12   12                                            
CONECT   12   10   11   11   13                                       
CONECT   13   12   14   14   26                                       
CONECT   14   13   13   15   44                                       
CONECT   15   14   16   24   24                                       
CONECT   16   15   17   20   45                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17                                                      
CONECT   20   16   21   46   47                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21                                                      
CONECT   24   15   15   25   48                                       
CONECT   25   24   26   26   28                                       
CONECT   26   13   25   25   27                                       
CONECT   27   26                                                      
CONECT   28   25   29   29   33                                       
CONECT   29   28   28   30   34                                       
CONECT   30   29   31   31   49                                       
CONECT   31   30   30   32   50                                       
CONECT   32   31   33   33   51                                       
CONECT   33   28   32   32   52                                       
CONECT   34   29   35                                                 
CONECT   35   34   53   54   55                                       
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    6                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   14                                                      
CONECT   45   16                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   24                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
CONECT   51   32                                                      
CONECT   52   33                                                      
CONECT   53   35                                                      
CONECT   54   35                                                      
CONECT   55   35                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
