COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.506   1.115  -0.398  1.00  0.00           C  
HETATM    2  N   UNL     1       0.334   0.145   0.078  1.00  0.00           N  
HETATM    3  O   UNL     1       2.028   2.146   0.025  1.00  0.00           O  
HETATM    4  C   UNL     1       1.672  -0.139  -0.445  1.00  0.00           C  
HETATM    5  C   UNL     1       2.334  -1.224   0.407  1.00  0.00           C  
HETATM    6  C   UNL     1       1.568  -2.513   0.263  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.530  -6.043  -0.133  1.00  0.00           O  
HETATM    8  C   UNL     1       0.161  -4.881  -0.002  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.312   0.433   1.613  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.335   0.956  -1.878  1.00  0.00           O  
HETATM   11  O   UNL     1      -5.144   1.691  -1.321  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.620   1.333  -2.311  1.00  0.00           O  
HETATM   13  O   UNL     1       5.332   1.257   1.460  1.00  0.00           O  
HETATM   14  O   UNL     1       6.308   3.418   0.808  1.00  0.00           O  
HETATM   15  C   UNL     1      -5.701   1.806   1.324  1.00  0.00           C  
HETATM   16  C   UNL     1       4.593   2.312  -0.787  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.197   1.573   1.646  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.181   0.561   1.126  1.00  0.00           C  
HETATM   19  N   UNL     1       3.782   1.093  -0.833  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.614   0.651  -0.735  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.201   1.533  -0.575  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.843   1.222  -1.124  1.00  0.00           C  
HETATM   23  B   UNL     1       5.438   2.330   0.536  1.00  0.00           B  
HETATM   24  N   UNL     1      -4.360   1.634   0.760  1.00  0.00           N  
HETATM   25  N   UNL     1      -1.872   0.818  -0.281  1.00  0.00           N  
HETATM   26  C   UNL     1       1.909  -3.411  -0.732  1.00  0.00           C  
HETATM   27  C   UNL     1       0.528  -2.799   1.129  1.00  0.00           C  
HETATM   28  C   UNL     1       1.208  -4.594  -0.866  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.176  -3.981   0.998  1.00  0.00           C  
HETATM   30  H   UNL     1       0.130  -0.032   1.010  1.00  0.00           H  
HETATM   31  H   UNL     1       1.594  -0.485  -1.476  1.00  0.00           H  
HETATM   32  H   UNL     1       3.361  -1.372   0.074  1.00  0.00           H  
HETATM   33  H   UNL     1       2.332  -0.915   1.453  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.166  -6.777   0.381  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.310   0.561   2.033  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.378  -0.137   0.686  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.683  -0.102   2.325  1.00  0.00           H  
HETATM   38  H   UNL     1       5.890   1.356   2.243  1.00  0.00           H  
HETATM   39  H   UNL     1       6.785   3.340   1.645  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.329   2.341   0.613  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.635   2.376   2.251  1.00  0.00           H  
HETATM   42  H   UNL     1       5.263   2.335  -1.647  1.00  0.00           H  
HETATM   43  H   UNL     1       3.939   3.184  -0.812  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.521   1.278   2.644  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.731   2.558   1.695  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.266   0.636   1.714  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.591  -0.444   1.226  1.00  0.00           H  
HETATM   48  H   UNL     1       4.163   0.269  -1.175  1.00  0.00           H  
HETATM   49  H   UNL     1       2.724  -3.188  -1.404  1.00  0.00           H  
HETATM   50  H   UNL     1       0.267  -2.098   1.908  1.00  0.00           H  
HETATM   51  H   UNL     1       1.472  -5.293  -1.646  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.988  -4.203   1.675  1.00  0.00           H  
CONECT    1    3    3    4   19                                       
CONECT    2    4   20   30                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   31                                       
CONECT    5    4    6   32   33                                       
CONECT    6    5   27   27   26                                       
CONECT    7    8   34                                                 
CONECT    8    7   29   29   28                                       
CONECT    9   15   35   36   37                                       
CONECT   10   20   20                                                 
CONECT   11   21   21                                                 
CONECT   12   22   22                                                 
CONECT   13   23   38                                                 
CONECT   14   23   39                                                 
CONECT   15    9   24   40   41                                       
CONECT   16   19   23   42   43                                       
CONECT   17   24   18   44   45                                       
CONECT   18   17   25   46   47                                       
CONECT   19    1   16   48                                            
CONECT   20    2   10   10   25                                       
CONECT   21   11   11   22   24                                       
CONECT   22   12   12   21   25                                       
CONECT   23   13   14   16                                            
CONECT   24   15   17   21                                            
CONECT   25   18   20   22                                            
CONECT   26    6   28   28   49                                       
CONECT   27    6    6   29   50                                       
CONECT   28    8   26   26   51                                       
CONECT   29    8    8   27   52                                       
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
