COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.845   0.240  -1.165  1.00  0.00           C  
HETATM    2  C   UNL     1       1.203   1.781  -0.535  1.00  0.00           C  
HETATM    3  C   UNL     1       3.603   0.238   1.207  1.00  0.00           C  
HETATM    4  C   UNL     1       4.986  -1.502   2.121  1.00  0.00           C  
HETATM    5  C   UNL     1       5.258  -3.489  -0.894  1.00  0.00           C  
HETATM    6  C   UNL     1       4.496  -2.473  -1.329  1.00  0.00           C  
HETATM    7  C   UNL     1       4.298  -1.570  -0.193  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.432  -1.442   0.055  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.586  -2.189   1.379  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.746   5.542   0.696  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.531   4.121   0.411  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.300   3.676   0.089  1.00  0.00           C  
HETATM   13  O   UNL     1       0.632   4.455   0.035  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.084   2.245  -0.198  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.152   1.356  -0.136  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.950   0.004  -0.410  1.00  0.00           C  
HETATM   17  C   UNL     1       0.329  -0.450  -0.751  1.00  0.00           C  
HETATM   18  C   UNL     1       1.381   0.430  -0.814  1.00  0.00           C  
HETATM   19  C   UNL     1       3.305   1.696  -1.415  1.00  0.00           C  
HETATM   20  O   UNL     1       2.375   2.462  -0.632  1.00  0.00           O  
HETATM   21  C   UNL     1       3.599  -0.374  -0.014  1.00  0.00           C  
HETATM   22  C   UNL     1       4.295  -0.320   2.274  1.00  0.00           C  
HETATM   23  C   UNL     1       4.992  -2.145   0.887  1.00  0.00           C  
HETATM   24  N   UNL     1       5.564  -3.310   0.428  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.080  -0.943  -0.342  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.901  -2.121  -0.581  1.00  0.00           O  
HETATM   27  N   UNL     1      -3.311  -0.502  -0.013  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.611  -1.068   0.955  1.00  0.00           C  
HETATM   29  O   UNL     1      -7.558  -2.256   0.313  1.00  0.00           O  
HETATM   30  C   UNL     1      -6.798  -2.100  -0.905  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.754  -1.008  -0.582  1.00  0.00           C  
HETATM   32  H   UNL     1       2.954  -0.363  -2.066  1.00  0.00           H  
HETATM   33  H   UNL     1       3.066   1.165   1.344  1.00  0.00           H  
HETATM   34  H   UNL     1       5.522  -1.928   2.957  1.00  0.00           H  
HETATM   35  H   UNL     1       5.582  -4.324  -1.497  1.00  0.00           H  
HETATM   36  H   UNL     1       4.104  -2.346  -2.327  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.165  -2.497  -0.011  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.057  -3.138   1.470  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.071  -1.935   2.321  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.472   6.133  -0.178  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.796   5.710   0.935  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.128   5.839   1.544  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.275   3.500   0.454  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.137   1.712   0.124  1.00  0.00           H  
HETATM   45  H   UNL     1       0.489  -1.497  -0.966  1.00  0.00           H  
HETATM   46  H   UNL     1       4.324   1.845  -1.059  1.00  0.00           H  
HETATM   47  H   UNL     1       3.226   1.949  -2.472  1.00  0.00           H  
HETATM   48  H   UNL     1       4.291   0.177   3.232  1.00  0.00           H  
HETATM   49  H   UNL     1       6.104  -3.914   0.962  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.454   0.438   0.178  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.553  -0.180   1.585  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.301  -3.035  -1.165  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.447  -1.776  -1.719  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.805  -0.073  -1.140  1.00  0.00           H  
CONECT    1   19   18   21   32                                       
CONECT    2   14   20   18   18                                       
CONECT    3   21   21   22   33                                       
CONECT    4   22   22   23   34                                       
CONECT    5    6    6   24   35                                       
CONECT    6    7    5    5   36                                       
CONECT    7   21    6   23   23                                       
CONECT    8   27   31   28   37                                       
CONECT    9   29   28   38   39                                       
CONECT   10   11   40   41   42                                       
CONECT   11   10   12   43                                            
CONECT   12   13   13   11   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   15    2                                       
CONECT   15   14   14   16   44                                       
CONECT   16   15   25   17   17                                       
CONECT   17   16   16   18   45                                       
CONECT   18    2    2   17    1                                       
CONECT   19   20    1   46   47                                       
CONECT   20    2   19                                                 
CONECT   21    1    3    3    7                                       
CONECT   22    3    4    4   48                                       
CONECT   23    7    7   24    4                                       
CONECT   24    5   23   49                                            
CONECT   25   16   27   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   25    8   50                                            
CONECT   28   31    8    9   51                                       
CONECT   29   30    9                                                 
CONECT   30   31   29   52   53                                       
CONECT   31   30    8   28   54                                       
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   15                                                      
CONECT   45   17                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   22                                                      
CONECT   49   24                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
