COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.350   0.060  -0.368  1.00  0.00           N  
HETATM    2  O   UNL     1       5.276   1.172  -0.153  1.00  0.00           O1-
HETATM    3  C   UNL     1       4.033  -0.511   0.918  1.00  0.00           C  
HETATM    4  C   UNL     1       3.831   0.575   1.983  1.00  0.00           C  
HETATM    5  C   UNL     1       5.246  -1.359   1.372  1.00  0.00           C  
HETATM    6  C   UNL     1       2.821  -1.438   0.901  1.00  0.00           C  
HETATM    7  C   UNL     1       1.636  -0.748   0.226  1.00  0.00           C  
HETATM    8  C   UNL     1       2.049  -0.388  -1.202  1.00  0.00           C  
HETATM    9  C   UNL     1       3.262   0.538  -1.184  1.00  0.00           C  
HETATM   10  C   UNL     1       3.773   0.643  -2.642  1.00  0.00           C  
HETATM   11  C   UNL     1       2.822   1.947  -0.769  1.00  0.00           C  
HETATM   12  N   UNL     1       0.496  -1.672   0.183  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.807  -1.173   0.115  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.878  -2.043  -0.048  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.638  -3.500  -0.144  1.00  0.00           N1+
HETATM   16  O   UNL     1      -0.665  -3.919  -0.746  1.00  0.00           O1-
HETATM   17  O   UNL     1      -2.414  -4.281   0.378  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.167  -1.549  -0.110  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.395  -0.190  -0.021  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.777   0.334  -0.094  1.00  0.00           N1+
HETATM   21  O   UNL     1      -5.690  -0.281   0.428  1.00  0.00           O1-
HETATM   22  O   UNL     1      -5.002   1.381  -0.675  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.327   0.686   0.137  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.032   0.194   0.205  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.559   2.061   0.226  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.429   2.993   0.264  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.954   4.427   0.363  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.821   5.361   0.400  1.00  0.00           N  
HETATM   29  H   UNL     1       4.730   1.189   2.051  1.00  0.00           H  
HETATM   30  H   UNL     1       2.983   1.202   1.706  1.00  0.00           H  
HETATM   31  H   UNL     1       3.637   0.106   2.947  1.00  0.00           H  
HETATM   32  H   UNL     1       5.035  -1.804   2.345  1.00  0.00           H  
HETATM   33  H   UNL     1       5.431  -2.148   0.644  1.00  0.00           H  
HETATM   34  H   UNL     1       6.127  -0.721   1.448  1.00  0.00           H  
HETATM   35  H   UNL     1       3.069  -2.351   0.355  1.00  0.00           H  
HETATM   36  H   UNL     1       2.551  -1.703   1.926  1.00  0.00           H  
HETATM   37  H   UNL     1       1.349   0.144   0.776  1.00  0.00           H  
HETATM   38  H   UNL     1       2.295  -1.301  -1.748  1.00  0.00           H  
HETATM   39  H   UNL     1       1.217   0.110  -1.705  1.00  0.00           H  
HETATM   40  H   UNL     1       2.985   1.051  -3.275  1.00  0.00           H  
HETATM   41  H   UNL     1       4.643   1.298  -2.676  1.00  0.00           H  
HETATM   42  H   UNL     1       4.050  -0.348  -3.002  1.00  0.00           H  
HETATM   43  H   UNL     1       2.378   1.911   0.226  1.00  0.00           H  
HETATM   44  H   UNL     1       3.688   2.609  -0.757  1.00  0.00           H  
HETATM   45  H   UNL     1       2.088   2.324  -1.481  1.00  0.00           H  
HETATM   46  H   UNL     1       0.648  -2.630   0.202  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.998  -2.228  -0.233  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.201   0.873   0.328  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.467   2.398   0.264  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.806   2.773   1.131  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.838   2.884  -0.645  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.577   4.646  -0.505  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.545   4.535   1.272  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.212   6.289   0.465  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.333   5.191   1.267  1.00  0.00           H  
CONECT    1    2    3    9                                            
CONECT    2    1                                                      
CONECT    3    1    4    5    6                                       
CONECT    4    3   29   30   31                                       
CONECT    5    3   32   33   34                                       
CONECT    6    3    7   35   36                                       
CONECT    7    6    8   12   37                                       
CONECT    8    7    9   38   39                                       
CONECT    9    1    8   10   11                                       
CONECT   10    9   40   41   42                                       
CONECT   11    9   43   44   45                                       
CONECT   12    7   13   46                                            
CONECT   13   12   14   14   24                                       
CONECT   14   13   13   15   18                                       
CONECT   15   14   16   17   17                                       
CONECT   16   15                                                      
CONECT   17   15   15                                                 
CONECT   18   14   19   19   47                                       
CONECT   19   18   18   20   23                                       
CONECT   20   19   21   22   22                                       
CONECT   21   20                                                      
CONECT   22   20   20                                                 
CONECT   23   19   24   24   25                                       
CONECT   24   13   23   23   48                                       
CONECT   25   23   26   49                                            
CONECT   26   25   27   50   51                                       
CONECT   27   26   28   52   53                                       
CONECT   28   27   54   55                                            
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   18                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
