COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      39.904  30.268   0.836  1.00  0.00           C  
HETATM    2  C   UNL     1      45.767  27.287   5.040  1.00  0.00           C  
HETATM    3  C   UNL     1      42.396  30.671   1.882  1.00  0.00           C  
HETATM    4  C   UNL     1      46.763  28.498   2.419  1.00  0.00           C  
HETATM    5  C   UNL     1      45.958  29.784   2.728  1.00  0.00           C  
HETATM    6  C   UNL     1      46.121  26.411   1.407  1.00  0.00           C  
HETATM    7  C   UNL     1      45.524  27.003   0.132  1.00  0.00           C  
HETATM    8  C   UNL     1      44.216  28.966  -0.276  1.00  0.00           C  
HETATM    9  C   UNL     1      44.950  30.044   0.521  1.00  0.00           C  
HETATM   10  C   UNL     1      46.549  27.317   6.191  1.00  0.00           C  
HETATM   11  C   UNL     1      46.097  27.960   7.299  1.00  0.00           C  
HETATM   12  C   UNL     1      44.880  28.569   7.280  1.00  0.00           C  
HETATM   13  C   UNL     1      44.106  28.528   6.121  1.00  0.00           C  
HETATM   14  C   UNL     1      42.737  29.205   6.079  1.00  0.00           C  
HETATM   15  C   UNL     1      41.672  31.742   1.383  1.00  0.00           C  
HETATM   16  C   UNL     1      40.428  31.534   0.861  1.00  0.00           C  
HETATM   17  C   UNL     1      40.654  29.204   1.346  1.00  0.00           C  
HETATM   18  C   UNL     1      40.121  27.773   1.345  1.00  0.00           C  
HETATM   19  C   UNL     1      43.808  30.880   2.475  1.00  0.00           C  
HETATM   20  C   UNL     1      46.273  26.548   3.774  1.00  0.00           C  
HETATM   21  N   UNL     1      45.905  27.294   2.540  1.00  0.00           N1+
HETATM   22  N   UNL     1      44.276  27.710   0.449  1.00  0.00           N1+
HETATM   23  N   UNL     1      44.692  29.823   1.952  1.00  0.00           N1+
HETATM   24  N   UNL     1      44.562  27.886   5.019  1.00  0.00           N1+
HETATM   25  N   UNL     1      41.892  29.426   1.862  1.00  0.00           N1+
HETATM   26  O   UNL     1      38.952  27.521   0.956  1.00  0.00           O  
HETATM   27  O   UNL     1      40.875  26.851   1.744  1.00  0.00           O  
HETATM   28  O   UNL     1      42.016  29.087   5.055  1.00  0.00           O  
HETATM   29  O   UNL     1      42.337  29.874   7.066  1.00  0.00           O  
HETATM   30 TB   UNL     1      43.287  27.773   2.852  1.00  0.00          Tb  
HETATM   31  H   UNL     1      38.920  30.094   0.426  1.00  0.00           H  
HETATM   32  H   UNL     1      47.157  28.558   1.394  1.00  0.00           H  
HETATM   33  H   UNL     1      47.599  28.417   3.129  1.00  0.00           H  
HETATM   34  H   UNL     1      45.722  29.810   3.802  1.00  0.00           H  
HETATM   35  H   UNL     1      46.568  30.661   2.465  1.00  0.00           H  
HETATM   36  H   UNL     1      45.645  25.441   1.611  1.00  0.00           H  
HETATM   37  H   UNL     1      47.202  26.266   1.265  1.00  0.00           H  
HETATM   38  H   UNL     1      46.241  27.709  -0.313  1.00  0.00           H  
HETATM   39  H   UNL     1      45.314  26.194  -0.583  1.00  0.00           H  
HETATM   40  H   UNL     1      43.165  29.261  -0.413  1.00  0.00           H  
HETATM   41  H   UNL     1      44.694  28.846  -1.259  1.00  0.00           H  
HETATM   42  H   UNL     1      46.030  29.980   0.324  1.00  0.00           H  
HETATM   43  H   UNL     1      44.582  31.038   0.227  1.00  0.00           H  
HETATM   44  H   UNL     1      47.513  26.830   6.203  1.00  0.00           H  
HETATM   45  H   UNL     1      46.702  27.988   8.193  1.00  0.00           H  
HETATM   46  H   UNL     1      44.516  29.081   8.158  1.00  0.00           H  
HETATM   47  H   UNL     1      42.090  32.737   1.407  1.00  0.00           H  
HETATM   48  H   UNL     1      39.859  32.364   0.469  1.00  0.00           H  
HETATM   49  H   UNL     1      44.193  31.867   2.179  1.00  0.00           H  
HETATM   50  H   UNL     1      43.763  30.818   3.572  1.00  0.00           H  
HETATM   51  H   UNL     1      47.368  26.455   3.825  1.00  0.00           H  
HETATM   52  H   UNL     1      45.821  25.546   3.737  1.00  0.00           H  
HETATM   53  H   UNL     1      43.566  27.149   0.024  1.00  0.00           H  
CONECT    1   16   16   17   31                                       
CONECT    2   10   10   20   24                                       
CONECT    3   15   15   19   25                                       
CONECT    4    5   21   32   33                                       
CONECT    5    4   23   34   35                                       
CONECT    6    7   21   36   37                                       
CONECT    7    6   22   38   39                                       
CONECT    8    9   22   40   41                                       
CONECT    9    8   23   42   43                                       
CONECT   10    2    2   11   44                                       
CONECT   11   10   12   12   45                                       
CONECT   12   11   11   13   46                                       
CONECT   13   12   14   24   24                                       
CONECT   14   13   28   29   29                                       
CONECT   15    3    3   16   47                                       
CONECT   16    1    1   15   48                                       
CONECT   17    1   18   25   25                                       
CONECT   18   17   26   26   27                                       
CONECT   19    3   23   49   50                                       
CONECT   20    2   21   51   52                                       
CONECT   21    4    6   20   30                                       
CONECT   22    7    8   30   53                                       
CONECT   23    5    9   19   30                                       
CONECT   24    2   13   13   30                                       
CONECT   25    3   17   17   30                                       
CONECT   26   18   18                                                 
CONECT   27   18   30                                                 
CONECT   28   14   30                                                 
CONECT   29   14   14                                                 
CONECT   30   25   21   22   23                                       
CONECT   30   27   24   28                                            
CONECT   31    1                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   22                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
