COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.261  -0.444   0.448  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.493  -0.923  -1.514  1.00  0.00           C  
HETATM    3  CA  UNL     1       3.321  -1.396  -0.259  1.00  0.00           C  
HETATM    4  C   UNL     1       3.411  -2.917  -0.121  1.00  0.00           C  
HETATM    5  C   UNL     1       4.563  -0.753   0.361  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.287   0.308  -0.984  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.632   0.473  -1.246  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.537   0.558  -0.204  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.103   0.478   1.107  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.761   0.312   1.384  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.004   0.740  -0.498  1.00  0.00           C  
HETATM   12  C   UNL     1       4.534   0.733   0.117  1.00  0.00           C  
HETATM   13  C   UNL     1       5.107   1.267  -1.022  1.00  0.00           C  
HETATM   14  C   UNL     1       4.522   3.405  -0.395  1.00  0.00           C  
HETATM   15  C   UNL     1       3.924   2.944   0.763  1.00  0.00           C  
HETATM   16  C   UNL     1       3.927   1.583   1.029  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.455  -0.457  -0.226  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.363  -1.362  -2.103  1.00  0.00           C  
HETATM   19  N   UNL     1       0.808  -1.344  -1.459  1.00  0.00           N  
HETATM   20  C   UNL     1       0.900  -0.911  -0.217  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.470   0.042   1.661  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.756   0.347   1.803  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.404   0.042   0.625  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.842   0.220   0.336  1.00  0.00           C  
HETATM   25  N   UNL     1       2.124  -0.913   0.433  1.00  0.00           N  
HETATM   26  O   UNL     1       3.604  -3.260   1.253  1.00  0.00           O  
HETATM   27  N   UNL     1       5.086   2.567  -1.243  1.00  0.00           N  
HETATM   28  H   UNL     1      -2.427  -0.938  -2.056  1.00  0.00           H  
HETATM   29  HA  UNL     1       3.262  -1.130  -1.314  1.00  0.00           H  
HETATM   30  H1  UNL     1       2.487  -3.370  -0.481  1.00  0.00           H  
HETATM   31  H2  UNL     1       4.251  -3.287  -0.709  1.00  0.00           H  
HETATM   32  H   UNL     1       4.574  -0.945   1.434  1.00  0.00           H  
HETATM   33  H   UNL     1       5.457  -1.179  -0.094  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.581   0.241  -1.798  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.978   0.537  -2.267  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.815   0.545   1.916  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.424   0.246   2.407  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.480  -0.237  -0.591  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.472   1.295   0.315  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.123   1.292  -1.430  1.00  0.00           H  
HETATM   41  H   UNL     1       5.578   0.611  -1.740  1.00  0.00           H  
HETATM   42  H   UNL     1       4.524   4.463  -0.610  1.00  0.00           H  
HETATM   43  H   UNL     1       3.461   3.635   1.452  1.00  0.00           H  
HETATM   44  H   UNL     1       3.467   1.194   1.926  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.403  -1.728  -3.118  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.215   0.761   2.688  1.00  0.00           H  
HETATM   47  H   UNL     1       2.187  -0.594   1.347  1.00  0.00           H  
HETATM   48  H   UNL     1       3.670  -4.211   1.416  1.00  0.00           H  
CONECT    1   20   17   21   21                                       
CONECT    2   18   18   17   28                                       
CONECT    3    4    5   25   29                                       
CONECT    4   26    3   30   31                                       
CONECT    5    3   12   32   33                                       
CONECT    6   24    7    7   34                                       
CONECT    7    6    6    8   35                                       
CONECT    8    9    9    7   11                                       
CONECT    9   10    8    8   36                                       
CONECT   10   24   24    9   37                                       
CONECT   11    8   38   39   40                                       
CONECT   12    5   13   13   16                                       
CONECT   13   12   12   27   41                                       
CONECT   14   27   27   15   42                                       
CONECT   15   16   16   14   43                                       
CONECT   16   12   15   15   44                                       
CONECT   17    2    1   23                                            
CONECT   18   19    2    2   45                                       
CONECT   19   18   20   20                                            
CONECT   20   19   19   25    1                                       
CONECT   21    1    1   22                                            
CONECT   22   21   23   23   46                                       
CONECT   23   17   22   22   24                                       
CONECT   24   23   10   10    6                                       
CONECT   25    3   20   47                                            
CONECT   26    4   48                                                 
CONECT   27   13   14   14                                            
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   18                                                      
CONECT   46   22                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
