COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.754   2.618  -0.689  1.00  0.00           C  
HETATM    2  C   UNL     1       7.127   2.690  -0.998  1.00  0.00           C  
HETATM    3  C   UNL     1       7.246   1.462  -0.374  1.00  0.00           C  
HETATM    4  C   UNL     1       6.119   0.811   0.091  1.00  0.00           C  
HETATM    5  C   UNL     1       3.515   0.901   1.951  1.00  0.00           C  
HETATM    6  C   UNL     1       3.644   0.680   0.442  1.00  0.00           C  
HETATM    7  N   UNL     1      -8.451   1.244   0.174  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.510   1.288   0.034  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.921   0.065  -0.215  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.282   1.549  -0.422  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.904   2.188   0.892  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.717  -0.261   0.397  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.111   0.644   1.258  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.707   1.867   1.503  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.291  -5.115  -0.531  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.947  -3.672  -0.266  1.00  0.00           C  
HETATM   17  C   UNL     1       0.230  -1.730   0.073  1.00  0.00           C  
HETATM   18  C   UNL     1       0.396  -3.108  -0.193  1.00  0.00           C  
HETATM   19  C   UNL     1       1.686  -3.623  -0.324  1.00  0.00           C  
HETATM   20  C   UNL     1       1.370  -0.940   0.193  1.00  0.00           C  
HETATM   21  C   UNL     1       2.612  -1.534   0.049  1.00  0.00           C  
HETATM   22  O   UNL     1      -7.278   2.111  -1.497  1.00  0.00           O  
HETATM   23  C   UNL     1      -5.979   1.192   0.246  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.813   1.646  -0.634  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.116  -1.501   0.147  1.00  0.00           N  
HETATM   26  N   UNL     1      -1.797  -2.705  -0.065  1.00  0.00           N  
HETATM   27  N   UNL     1       2.731  -2.833  -0.201  1.00  0.00           N  
HETATM   28  N   UNL     1       3.759  -0.754   0.167  1.00  0.00           N  
HETATM   29  C   UNL     1       4.873   1.389  -0.066  1.00  0.00           C  
HETATM   30  C   UNL     1       5.881   3.268  -1.155  1.00  0.00           C  
HETATM   31  H   UNL     1       3.780   3.067  -0.815  1.00  0.00           H  
HETATM   32  H   UNL     1       8.008   3.199  -1.361  1.00  0.00           H  
HETATM   33  H   UNL     1       8.219   1.010  -0.252  1.00  0.00           H  
HETATM   34  H   UNL     1       6.211  -0.148   0.578  1.00  0.00           H  
HETATM   35  H   UNL     1       3.430   1.969   2.155  1.00  0.00           H  
HETATM   36  H   UNL     1       2.626   0.389   2.319  1.00  0.00           H  
HETATM   37  H   UNL     1       4.397   0.505   2.453  1.00  0.00           H  
HETATM   38  H   UNL     1       2.762   1.077  -0.060  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.290   1.474  -0.256  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.455   0.794   1.033  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.395  -0.638  -0.884  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.368   3.145   1.085  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.176   0.394   1.736  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.236   2.572   2.172  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.348  -5.655   0.415  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.253  -5.172  -1.040  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.521  -5.563  -1.159  1.00  0.00           H  
HETATM   48  H   UNL     1       1.827  -4.675  -0.528  1.00  0.00           H  
HETATM   49  H   UNL     1       1.286   0.118   0.396  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.919   1.689   1.214  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.928   0.112   0.389  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.864   2.725  -0.777  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.873   1.148  -1.602  1.00  0.00           H  
HETATM   54  H   UNL     1       4.634  -1.160   0.068  1.00  0.00           H  
HETATM   55  H   UNL     1       5.789   4.227  -1.642  1.00  0.00           H  
CONECT    1   29   29   30   31                                       
CONECT    2    3   30   30   32                                       
CONECT    3    2    4    4   33                                       
CONECT    4    3    3   29   34                                       
CONECT    5    6   35   36   37                                       
CONECT    6    5   28   29   38                                       
CONECT    7   10   39   40                                            
CONECT    8    9    9   11   24                                       
CONECT    9    8    8   12   41                                       
CONECT   10    7   22   22   23                                       
CONECT   11    8   14   14   42                                       
CONECT   12    9   13   13   25                                       
CONECT   13   12   12   14   43                                       
CONECT   14   11   11   13   44                                       
CONECT   15   16   45   46   47                                       
CONECT   16   15   18   26   26                                       
CONECT   17   18   18   20   25                                       
CONECT   18   16   17   17   19                                       
CONECT   19   18   27   27   48                                       
CONECT   20   17   21   21   49                                       
CONECT   21   20   20   27   28                                       
CONECT   22   10   10                                                 
CONECT   23   10   24   50   51                                       
CONECT   24    8   23   52   53                                       
CONECT   25   12   17   26                                            
CONECT   26   16   16   25                                            
CONECT   27   19   19   21                                            
CONECT   28    6   21   54                                            
CONECT   29    1    1    4    6                                       
CONECT   30    1    2    2   55                                       
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    9                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   28                                                      
CONECT   55   30                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
