COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.819  -2.332  -1.419  1.00  0.00           C  
HETATM    2  C   UNL     1       4.562  -1.957  -1.861  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.856   1.436  -1.235  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.099   1.192  -0.376  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.266   2.016  -0.924  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.509   1.772  -0.066  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.872   0.286  -0.103  1.00  0.00           C  
HETATM    8  B   UNL     1       2.667   1.167   0.057  1.00  0.00           B1-
HETATM    9  C   UNL     1      -0.677   0.723  -0.624  1.00  0.00           C  
HETATM   10  C   UNL     1       1.680   0.103  -0.620  1.00  0.00           C  
HETATM   11  C   UNL     1       4.336  -0.429  -0.028  1.00  0.00           C  
HETATM   12  C   UNL     1       5.618  -0.803   0.418  1.00  0.00           C  
HETATM   13  C   UNL     1       6.183  -0.191   1.634  1.00  0.00           C  
HETATM   14  C   UNL     1       6.350  -1.762  -0.283  1.00  0.00           C  
HETATM   15  C   UNL     1       3.824  -1.009  -1.173  1.00  0.00           C  
HETATM   16  C   UNL     1       2.466  -0.631  -1.712  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.704  -0.537   0.445  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.461  -0.294  -0.413  1.00  0.00           C  
HETATM   19  N   UNL     1       0.533   0.796  -1.213  1.00  0.00           N  
HETATM   20  O   UNL     1      -0.817   0.083   0.396  1.00  0.00           O  
HETATM   21  O   UNL     1       1.982   1.936   0.956  1.00  0.00           O  
HETATM   22  O   UNL     1       3.203   1.965  -0.915  1.00  0.00           O  
HETATM   23  O   UNL     1       3.662   0.494   0.696  1.00  0.00           O  
HETATM   24  O   UNL     1       7.410  -0.549   2.062  1.00  0.00           O  
HETATM   25  O   UNL     1       5.542   0.637   2.251  1.00  0.00           O  
HETATM   26  H   UNL     1       6.382  -3.076  -1.963  1.00  0.00           H  
HETATM   27  H   UNL     1       4.153  -2.409  -2.753  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.029   1.055  -2.241  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.650   2.505  -1.281  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.895   1.491   0.652  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.008   3.074  -0.898  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.470   1.717  -1.952  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.305   2.071   0.962  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.341   2.359  -0.457  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.076  -0.013  -1.131  1.00  0.00           H  
HETATM   36  H   UNL     1       7.330  -2.056   0.063  1.00  0.00           H  
HETATM   37  H   UNL     1       1.926  -1.531  -2.007  1.00  0.00           H  
HETATM   38  H   UNL     1       2.585   0.023  -2.577  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.500  -0.238   1.473  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.962  -1.596   0.419  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.665  -0.593  -1.441  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.629  -0.880  -0.023  1.00  0.00           H  
HETATM   43  H   UNL     1       0.645   1.308  -2.030  1.00  0.00           H  
HETATM   44  H   UNL     1       2.526   2.599   1.401  1.00  0.00           H  
HETATM   45  H   UNL     1       3.825   2.626  -0.582  1.00  0.00           H  
HETATM   46  H   UNL     1       7.738  -0.120   2.864  1.00  0.00           H  
HETATM   47  N   UNL     1      -7.065   0.052   0.721  1.00  0.00           N  
HETATM   48  C   UNL     1      -7.785  -1.148   0.276  1.00  0.00           C  
HETATM   49  C   UNL     1      -9.019  -1.358   1.156  1.00  0.00           C  
HETATM   50  N   UNL     1      -9.739  -2.559   0.711  1.00  0.00           N  
HETATM   51  H   UNL     1      -6.823  -0.013   1.699  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.559  -2.719   1.278  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.981  -2.494  -0.266  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.096  -1.022  -0.761  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.130  -2.016   0.356  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.708  -1.484   2.194  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.674  -0.491   1.076  1.00  0.00           H  
HETATM   58  H   UNL     1       1.335  -0.610   0.129  1.00  0.00           H  
CONECT    1    2   14   14   26                                       
CONECT    2   15   15    1   27                                       
CONECT    3    4    9   28   29                                       
CONECT    4   18    5    3   30                                       
CONECT    5    6    4   31   32                                       
CONECT    6    7    5   33   34                                       
CONECT    7   17    6   35   47                                       
CONECT    8   10   21   22   23                                       
CONECT    9   20   20    3   19                                       
CONECT   10   19   16    8   58                                       
CONECT   11   15   23   12   12                                       
CONECT   12   11   11   14   13                                       
CONECT   13   12   25   25   24                                       
CONECT   14    1    1   12   36                                       
CONECT   15   16    2    2   11                                       
CONECT   16   10   15   37   38                                       
CONECT   17    7   18   39   40                                       
CONECT   18   17    4   41   42                                       
CONECT   19    9   10   43                                            
CONECT   20    9    9                                                 
CONECT   21    8   44                                                 
CONECT   22    8   45                                                 
CONECT   23    8   11                                                 
CONECT   24   13   46                                                 
CONECT   25   13   13                                                 
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36   14                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47    7   48   51                                            
CONECT   48   47   49   54   55                                       
CONECT   49   48   50   56   57                                       
CONECT   50   49   52   53                                            
CONECT   51   47                                                      
CONECT   52   50                                                      
CONECT   53   50                                                      
CONECT   54   48                                                      
CONECT   55   48                                                      
CONECT   56   49                                                      
CONECT   57   49                                                      
CONECT   58   10                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
