COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.105  -3.233  -0.159  1.00  0.00           N  
HETATM    2  N   UNL     1      -3.064  -0.660  -0.171  1.00  0.00           N  
HETATM    3  C   UNL     1       1.966  -0.155   0.040  1.00  0.00           C  
HETATM    4  C   UNL     1       1.388   1.090   0.529  1.00  0.00           C  
HETATM    5  C   UNL     1       0.110   1.673   0.491  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.271   1.651  -0.155  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.325   0.605   0.099  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.516   0.015   0.843  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.450  -3.925   0.312  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.504   2.288  -1.527  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.489   1.200  -2.603  1.00  0.00           C  
HETATM   12  C   UNL     1       2.430   1.790   1.169  1.00  0.00           C  
HETATM   13  C   UNL     1       5.578  -1.047  -0.280  1.00  0.00           C  
HETATM   14  C   UNL     1       6.259   0.199  -0.468  1.00  0.00           C  
HETATM   15  N   UNL     1       6.799   1.187  -0.618  1.00  0.00           N  
HETATM   16  N   UNL     1       6.107  -2.298  -0.444  1.00  0.00           N  
HETATM   17  C   UNL     1       7.481  -2.606  -0.848  1.00  0.00           C  
HETATM   18  C   UNL     1       4.248  -1.218   0.107  1.00  0.00           C  
HETATM   19  C   UNL     1       4.008  -2.602   0.166  1.00  0.00           C  
HETATM   20  C   UNL     1       3.276  -0.147   0.400  1.00  0.00           C  
HETATM   21  N   UNL     1       3.559   1.023   1.073  1.00  0.00           N  
HETATM   22  N   UNL     1       2.160   2.977   1.710  1.00  0.00           N  
HETATM   23  C   UNL     1       0.947   3.484   1.649  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.059   2.862   1.061  1.00  0.00           N  
HETATM   25  N   UNL     1      -0.946   1.026  -0.125  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.860   2.996  -1.536  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.396   3.303  -1.813  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.956  -1.617   0.034  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.633  -2.902  -0.268  1.00  0.00           O  
HETATM   30  C   UNL     1      -5.921  -3.533   0.122  1.00  0.00           C  
HETATM   31  O   UNL     1      -6.137  -2.276   0.775  1.00  0.00           O  
HETATM   32  C   UNL     1      -5.211  -1.306   0.550  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.549   0.984   0.610  1.00  0.00           C  
HETATM   34  H   UNL     1       1.452  -0.936  -0.501  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.328   2.419   0.616  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.483   0.284   1.243  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.256  -4.876  -0.185  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.227  -4.014   1.375  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.279   0.477  -2.399  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.655   1.654  -3.580  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.523   0.695  -2.596  1.00  0.00           H  
HETATM   42  H   UNL     1       7.533  -2.674  -1.935  1.00  0.00           H  
HETATM   43  H   UNL     1       8.147  -1.816  -0.501  1.00  0.00           H  
HETATM   44  H   UNL     1       7.784  -3.556  -0.410  1.00  0.00           H  
HETATM   45  H   UNL     1       3.071  -3.068   0.436  1.00  0.00           H  
HETATM   46  H   UNL     1       4.428   1.265   1.429  1.00  0.00           H  
HETATM   47  H   UNL     1       0.767   4.449   2.100  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.809   0.159  -0.538  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.912   3.691  -0.698  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.976   3.545  -2.470  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.656   2.258  -1.447  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.430   2.798  -1.806  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.562   3.757  -2.790  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.406   4.078  -1.046  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.142  -3.438  -0.941  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.564  -4.293   0.565  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.753   2.022   0.827  1.00  0.00           H  
CONECT    1   16   19   19                                            
CONECT    2   28   28    7                                            
CONECT    3   20   20    4   34                                       
CONECT    4    3    5    5   12                                       
CONECT    5    4    4   25   24                                       
CONECT    6   25    7   10   35                                       
CONECT    7    6   33   33    2                                       
CONECT    8   33   32   32   36                                       
CONECT    9   29   30   37   38                                       
CONECT   10    6   27   11   26                                       
CONECT   11   10   39   40   41                                       
CONECT   12   22   22    4   21                                       
CONECT   13   18   18   16   14                                       
CONECT   14   13   15   15   15                                       
CONECT   15   14   14   14                                            
CONECT   16   17    1   13                                            
CONECT   17   16   42   43   44                                       
CONECT   18   19   20   13   13                                       
CONECT   19    1    1   18   45                                       
CONECT   20   18    3    3   21                                       
CONECT   21   12   20   46                                            
CONECT   22   23   12   12                                            
CONECT   23   24   24   22   47                                       
CONECT   24    5   23   23                                            
CONECT   25    5    6   48                                            
CONECT   26   10   49   50   51                                       
CONECT   27   10   52   53   54                                       
CONECT   28   32    2    2   29                                       
CONECT   29   28    9                                                 
CONECT   30    9   31   55   56                                       
CONECT   31   30   32                                                 
CONECT   32    8    8   28   31                                       
CONECT   33    7    7    8   57                                       
CONECT   34    3                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   33                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
