COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.488   3.677  -1.360  1.00  0.00           C  
HETATM    2  C   UNL     1       1.182   3.978  -1.757  1.00  0.00           C  
HETATM    3  C   UNL     1       0.109   3.348  -1.215  1.00  0.00           C  
HETATM    4  C   UNL     1       2.751   2.741  -0.415  1.00  0.00           C  
HETATM    5  C   UNL     1       1.683   2.042   0.194  1.00  0.00           C  
HETATM    6  C   UNL     1       0.305   2.361  -0.226  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.559   1.552   0.508  1.00  0.00           C  
HETATM    8  C   UNL     1       1.622   1.057   1.163  1.00  0.00           C  
HETATM    9  C   UNL     1       0.265   0.720   1.392  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.064  -0.254   2.329  1.00  0.00           C  
HETATM   11  C   UNL     1       0.896  -0.941   3.081  1.00  0.00           C  
HETATM   12  C   UNL     1       2.211  -0.710   2.953  1.00  0.00           C  
HETATM   13  C   UNL     1       2.682   0.331   1.961  1.00  0.00           C  
HETATM   14  C   UNL     1       3.612  -0.345   0.987  1.00  0.00           C  
HETATM   15  N   UNL     1       4.735   0.157   0.556  1.00  0.00           N  
HETATM   16  N   UNL     1       3.405  -1.570   0.436  1.00  0.00           N  
HETATM   17  C   UNL     1       4.475  -1.833  -0.394  1.00  0.00           C  
HETATM   18  C   UNL     1       5.319  -0.709  -0.303  1.00  0.00           C  
HETATM   19  C   UNL     1       6.501  -0.708  -1.054  1.00  0.00           C  
HETATM   20  C   UNL     1       6.782  -1.788  -1.841  1.00  0.00           C  
HETATM   21  N   UNL     1       5.965  -2.826  -1.906  1.00  0.00           N  
HETATM   22  C   UNL     1       4.843  -2.885  -1.217  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.948   1.536   0.419  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.590   0.395   0.099  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.051   0.401  -0.101  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.964  -0.641  -0.025  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.763   1.594  -0.086  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.837   0.445  -0.480  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.139   1.594  -0.275  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.779  -0.844  -0.326  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.181  -0.799  -0.514  1.00  0.00           C  
HETATM   32  N   UNL     1      -6.859  -1.933  -0.714  1.00  0.00           N  
HETATM   33  C   UNL     1      -6.251  -3.094  -0.746  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.873  -3.205  -0.574  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.122  -2.084  -0.359  1.00  0.00           C  
HETATM   36  H   UNL     1       3.312   4.202  -1.822  1.00  0.00           H  
HETATM   37  H   UNL     1       1.022   4.732  -2.513  1.00  0.00           H  
HETATM   38  H   UNL     1       3.771   2.530  -0.129  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.890   3.600  -1.540  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.454   2.346   0.588  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.106  -0.490   2.484  1.00  0.00           H  
HETATM   42  H   UNL     1       0.565  -1.684   3.791  1.00  0.00           H  
HETATM   43  H   UNL     1       2.924  -1.260   3.550  1.00  0.00           H  
HETATM   44  H   UNL     1       3.260   1.077   2.506  1.00  0.00           H  
HETATM   45  H   UNL     1       2.646  -2.152   0.597  1.00  0.00           H  
HETATM   46  H   UNL     1       4.207  -3.755  -1.296  1.00  0.00           H  
HETATM   47  H   UNL     1       7.177   0.133  -1.011  1.00  0.00           H  
HETATM   48  H   UNL     1       7.691  -1.794  -2.424  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.244   2.527   0.074  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.670   2.534  -0.259  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.907   0.488  -0.622  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.053  -2.150  -0.219  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.834  -3.988  -0.910  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.400  -4.176  -0.605  1.00  0.00           H  
CONECT    1    2    4    4   36                                       
CONECT    2    1    3    3   37                                       
CONECT    3    2    2    6   39                                       
CONECT    4    1    1    5   38                                       
CONECT    5    4    6    8    8                                       
CONECT    6    3    5    7    7                                       
CONECT    7    6    6    9   23                                       
CONECT    8    5    5    9   13                                       
CONECT    9    7    8   10   10                                       
CONECT   10    9    9   11   41                                       
CONECT   11   10   12   12   42                                       
CONECT   12   11   11   13   43                                       
CONECT   13    8   12   14   44                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14   18                                            
CONECT   16   14   17   45                                            
CONECT   17   16   18   22   22                                       
CONECT   18   15   17   19   19                                       
CONECT   19   18   18   20   47                                       
CONECT   20   19   21   21   48                                       
CONECT   21   20   20   22                                            
CONECT   22   17   17   21   46                                       
CONECT   23    7   24   40                                            
CONECT   24   23   25   26   26                                       
CONECT   25   24   27   27   30                                       
CONECT   26   24   24                                                 
CONECT   27   25   25   29   49                                       
CONECT   28   29   29   31   51                                       
CONECT   29   27   28   28   50                                       
CONECT   30   25   31   31   35                                       
CONECT   31   28   30   30   32                                       
CONECT   32   31   33   33                                            
CONECT   33   32   32   34   53                                       
CONECT   34   33   35   35   54                                       
CONECT   35   30   34   34   52                                       
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    4                                                      
CONECT   39    3                                                      
CONECT   40   23                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   16                                                      
CONECT   46   22                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   27                                                      
CONECT   50   29                                                      
CONECT   51   28                                                      
CONECT   52   35                                                      
CONECT   53   33                                                      
CONECT   54   34                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
