COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.206   2.140  -0.628  1.00  0.00           C  
HETATM    2  C   UNL     1       2.004   2.729  -0.197  1.00  0.00           C  
HETATM    3  C   UNL     1       1.891   4.126  -0.222  1.00  0.00           C  
HETATM    4  N   UNL     1       2.930   4.835  -0.654  1.00  0.00           N  
HETATM    5  N   UNL     1       4.191   2.935  -1.044  1.00  0.00           N  
HETATM    6  C   UNL     1       4.095  -0.200  -0.845  1.00  0.00           C  
HETATM    7  N   UNL     1       3.065   0.784  -0.502  1.00  0.00           N  
HETATM    8  C   UNL     1       1.826   0.480  -0.009  1.00  0.00           C  
HETATM    9  C   UNL     1       4.042   4.242  -1.051  1.00  0.00           C  
HETATM   10  N   UNL     1       0.729   4.750   0.192  1.00  0.00           N  
HETATM   11  C   UNL     1       1.123   1.621   0.195  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.259   1.731   0.719  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.280   0.964   0.162  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.540   2.597   1.775  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.828   2.697   2.261  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.842   1.939   1.704  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.570   1.071   0.656  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.569   0.324   0.115  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.874   0.485   0.674  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.843  -0.415  -0.047  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.060  -1.703   0.407  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.949  -2.529  -0.255  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.621  -2.068  -1.370  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.405  -0.780  -1.825  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.521   0.048  -1.159  1.00  0.00           C  
HETATM   26  H   UNL     1       1.461  -0.518   0.184  1.00  0.00           H  
HETATM   27  H   UNL     1       4.861   4.855  -1.395  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.022   4.221   0.504  1.00  0.00           H  
HETATM   29  H   UNL     1       0.663   5.718   0.169  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.067   0.288  -0.654  1.00  0.00           H  
HETATM   31  H   UNL     1       0.250   3.190   2.212  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.044   3.368   3.079  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.848   2.021   2.088  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.851   0.222   1.732  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.191   1.522   0.565  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.534  -2.064   1.279  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.117  -3.535   0.100  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.316  -2.714  -1.888  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.931  -0.420  -2.697  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.352   1.054  -1.514  1.00  0.00           H  
HETATM   41  C   UNL     1       4.640  -0.969   0.370  1.00  0.00           C  
HETATM   42  C   UNL     1       3.513  -1.987   0.132  1.00  0.00           C  
HETATM   43  C   UNL     1       3.526  -1.540  -1.339  1.00  0.00           C  
HETATM   44  C   UNL     1       3.946  -3.441   0.335  1.00  0.00           C  
HETATM   45  N   UNL     1       2.782  -4.320   0.204  1.00  0.00           N  
HETATM   46  C   UNL     1       2.925  -5.653   0.344  1.00  0.00           C  
HETATM   47  O   UNL     1       4.018  -6.124   0.579  1.00  0.00           O  
HETATM   48  C   UNL     1       1.728  -6.558   0.209  1.00  0.00           C  
HETATM   49  H   UNL     1       4.874   0.209  -1.488  1.00  0.00           H  
HETATM   50  H   UNL     1       5.638  -1.379   0.215  1.00  0.00           H  
HETATM   51  H   UNL     1       4.546  -0.425   1.310  1.00  0.00           H  
HETATM   52  H   UNL     1       2.587  -1.744   0.654  1.00  0.00           H  
HETATM   53  H   UNL     1       2.532  -1.457  -1.779  1.00  0.00           H  
HETATM   54  H   UNL     1       4.219  -2.106  -1.961  1.00  0.00           H  
HETATM   55  H   UNL     1       4.689  -3.706  -0.417  1.00  0.00           H  
HETATM   56  H   UNL     1       4.378  -3.556   1.329  1.00  0.00           H  
HETATM   57  H   UNL     1       1.908  -3.944   0.016  1.00  0.00           H  
HETATM   58  H   UNL     1       0.841  -5.959   0.000  1.00  0.00           H  
HETATM   59  H   UNL     1       1.893  -7.260  -0.608  1.00  0.00           H  
HETATM   60  H   UNL     1       1.583  -7.109   1.138  1.00  0.00           H  
CONECT    1    5    7    2    2                                       
CONECT    2    1    1    3   11                                       
CONECT    3    4    4    2   10                                       
CONECT    4    9    3    3                                            
CONECT    5    9    9    1                                            
CONECT    6    7   41   43   49                                       
CONECT    7    6    1    8                                            
CONECT    8    7   11   11   26                                       
CONECT    9    5    5    4   27                                       
CONECT   10    3   28   29                                            
CONECT   11    8    8    2   12                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12   17   30                                       
CONECT   14   12   15   15   31                                       
CONECT   15   14   14   16   32                                       
CONECT   16   17   17   15   33                                       
CONECT   17   13   18   16   16                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   34   35                                       
CONECT   20   25   25   21   19                                       
CONECT   21   22   22   20   36                                       
CONECT   22   23   21   21   37                                       
CONECT   23   24   24   22   38                                       
CONECT   24   23   23   25   39                                       
CONECT   25   24   20   20   40                                       
CONECT   26    8                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   10                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   19                                                      
CONECT   35   19                                                      
CONECT   36   21                                                      
CONECT   37   22                                                      
CONECT   38   23                                                      
CONECT   39   24                                                      
CONECT   40   25                                                      
CONECT   41    6   42   50   51                                       
CONECT   42   41   43   44   52                                       
CONECT   43   42    6   53   54                                       
CONECT   44   42   45   55   56                                       
CONECT   45   44   46   57                                            
CONECT   46   45   47   47   48                                       
CONECT   47   46   46                                                 
CONECT   48   46   58   59   60                                       
CONECT   49    6                                                      
CONECT   50   41                                                      
CONECT   51   41                                                      
CONECT   52   42                                                      
CONECT   53   43                                                      
CONECT   54   43                                                      
CONECT   55   44                                                      
CONECT   56   44                                                      
CONECT   57   45                                                      
CONECT   58   48                                                      
CONECT   59   48                                                      
CONECT   60   48                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
