COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       7.491  -2.149   1.306  1.00  0.00           O  
HETATM    2  B   UNL     1       7.190  -2.448   0.007  1.00  0.00           B1-
HETATM    3  O   UNL     1       8.346  -2.646  -0.695  1.00  0.00           O  
HETATM    4  O   UNL     1       6.431  -3.585  -0.034  1.00  0.00           O  
HETATM    5  C   UNL     1       6.373  -1.239  -0.642  1.00  0.00           C  
HETATM    6  C   UNL     1       5.079  -1.018   0.144  1.00  0.00           C  
HETATM    7  C   UNL     1       4.296   0.140  -0.478  1.00  0.00           C  
HETATM    8  C   UNL     1       3.002   0.362   0.308  1.00  0.00           C  
HETATM    9  C   UNL     1       2.220   1.520  -0.313  1.00  0.00           C  
HETATM   10  N   UNL     1       1.895   1.198  -1.710  1.00  0.00           N  
HETATM   11  C   UNL     1       0.926   1.741   0.473  1.00  0.00           C  
HETATM   12  C   UNL     1       0.109   2.855  -0.189  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.211   3.030   0.566  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.961   1.768   0.541  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.294   1.936   1.136  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.119   0.702   0.875  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.102  -0.344   1.779  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.859  -1.476   1.541  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.634  -1.563   0.399  1.00  0.00           C  
HETATM   20 CL   UNL     1      -6.585  -2.984   0.101  1.00  0.00          Cl  
HETATM   21  C   UNL     1      -5.652  -0.515  -0.506  1.00  0.00           C  
HETATM   22 CL   UNL     1      -6.624  -0.622  -1.939  1.00  0.00          Cl  
HETATM   23  C   UNL     1      -4.898   0.620  -0.264  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.217   0.695   1.213  1.00  0.00           C  
HETATM   25  C   UNL     1       0.103   0.450   0.478  1.00  0.00           C  
HETATM   26  C   UNL     1       3.056   2.773  -0.268  1.00  0.00           C  
HETATM   27  O   UNL     1       2.948   3.538   0.662  1.00  0.00           O  
HETATM   28  O   UNL     1       3.920   3.040  -1.259  1.00  0.00           O  
HETATM   29  H   UNL     1       6.717  -1.995   1.865  1.00  0.00           H  
HETATM   30  H   UNL     1       8.208  -2.862  -1.628  1.00  0.00           H  
HETATM   31  H   UNL     1       6.866  -4.361   0.344  1.00  0.00           H  
HETATM   32  H   UNL     1       6.977  -0.333  -0.609  1.00  0.00           H  
HETATM   33  H   UNL     1       6.132  -1.478  -1.678  1.00  0.00           H  
HETATM   34  H   UNL     1       4.474  -1.924   0.111  1.00  0.00           H  
HETATM   35  H   UNL     1       5.319  -0.779   1.180  1.00  0.00           H  
HETATM   36  H   UNL     1       4.901   1.047  -0.445  1.00  0.00           H  
HETATM   37  H   UNL     1       4.056  -0.098  -1.514  1.00  0.00           H  
HETATM   38  H   UNL     1       2.398  -0.545   0.275  1.00  0.00           H  
HETATM   39  H   UNL     1       3.243   0.600   1.344  1.00  0.00           H  
HETATM   40  H   UNL     1       1.335   0.361  -1.767  1.00  0.00           H  
HETATM   41  H   UNL     1       1.435   1.974  -2.162  1.00  0.00           H  
HETATM   42  H   UNL     1       1.166   2.024   1.497  1.00  0.00           H  
HETATM   43  H   UNL     1       0.673   3.787  -0.157  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.096   2.589  -1.226  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.005   3.310   1.599  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.801   3.812   0.088  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.196   2.087   2.211  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.784   2.801   0.690  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.497  -0.277   2.671  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.844  -2.293   2.247  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.911   1.437  -0.969  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.010   0.985   2.243  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.811  -0.219   1.206  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.103   0.146  -0.548  1.00  0.00           H  
HETATM   55  H   UNL     1       0.662  -0.336   0.986  1.00  0.00           H  
HETATM   56  H   UNL     1       4.434   3.855  -1.186  1.00  0.00           H  
CONECT    1    2   29                                                 
CONECT    2    5    4    1    3                                       
CONECT    3    2   30                                                 
CONECT    4    2   31                                                 
CONECT    5    6    2   32   33                                       
CONECT    6    7    5   34   35                                       
CONECT    7    8    6   36   37                                       
CONECT    8    9    7   38   39                                       
CONECT    9   11   26   10    8                                       
CONECT   10    9   40   41                                            
CONECT   11   12   25    9   42                                       
CONECT   12   13   11   43   44                                       
CONECT   13   14   12   45   46                                       
CONECT   14   15   13   24                                            
CONECT   15   16   14   47   48                                       
CONECT   16   23   23   17   15                                       
CONECT   17   18   18   16   49                                       
CONECT   18   19   17   17   50                                       
CONECT   19   20   21   21   18                                       
CONECT   20   19                                                      
CONECT   21   22   19   19   23                                       
CONECT   22   21                                                      
CONECT   23   21   16   16   51                                       
CONECT   24   14   25   52   53                                       
CONECT   25   24   11   54   55                                       
CONECT   26   27   27   28    9                                       
CONECT   27   26   26                                                 
CONECT   28   26   56                                                 
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   28                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
