COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.408  -0.315  -0.404  1.00  0.00           N  
HETATM    2  C   UNL     1       4.306  -0.265  -1.404  1.00  0.00           C  
HETATM    3  O   UNL     1       4.369  -1.181  -2.200  1.00  0.00           O  
HETATM    4  N   UNL     1       5.137   0.786  -1.536  1.00  0.00           N  
HETATM    5  C   UNL     1       5.081   1.811  -0.661  1.00  0.00           C  
HETATM    6  O   UNL     1       5.831   2.762  -0.780  1.00  0.00           O  
HETATM    7  C   UNL     1       4.140   1.771   0.396  1.00  0.00           C  
HETATM    8  C   UNL     1       3.318   0.705   0.505  1.00  0.00           C  
HETATM    9  C   UNL     1       2.513  -1.469  -0.290  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.944  -0.333   0.593  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.443   1.024   1.014  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.909   1.602   2.180  1.00  0.00           C  
HETATM   13  C   UNL     1       2.816  -2.241   1.009  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.449   2.847   2.566  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.523   3.514   1.787  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.056   2.936   0.621  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.512   1.689   0.237  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.925  -0.177  -0.540  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.278  -0.353  -0.312  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.178  -0.209  -1.352  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.726   0.110  -2.618  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.374   0.286  -2.846  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.474   0.147  -1.806  1.00  0.00           C  
HETATM   24  C   UNL     1       1.475  -2.224   1.783  1.00  0.00           C  
HETATM   25  O   UNL     1       1.225  -3.489   2.398  1.00  0.00           O  
HETATM   26  C   UNL     1       0.452  -1.946   0.652  1.00  0.00           C  
HETATM   27  O   UNL     1       1.148  -1.024  -0.213  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.270  -2.471  -0.321  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.814  -1.300   1.219  1.00  0.00           C  
HETATM   30  N   UNL     1      -1.812  -1.158   0.150  1.00  0.00           N  
HETATM   31  H   UNL     1       5.779   0.806  -2.262  1.00  0.00           H  
HETATM   32  H   UNL     1       4.080   2.582   1.107  1.00  0.00           H  
HETATM   33  H   UNL     1       2.594   0.657   1.304  1.00  0.00           H  
HETATM   34  H   UNL     1       2.643  -2.125  -1.150  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.437  -0.816   1.437  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.633   1.081   2.789  1.00  0.00           H  
HETATM   37  H   UNL     1       3.113  -3.265   0.783  1.00  0.00           H  
HETATM   38  H   UNL     1       3.593  -1.735   1.581  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.814   3.299   3.477  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.164   4.487   2.088  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.332   3.457   0.012  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.145   1.235  -0.671  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.631  -0.602   0.677  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.234  -0.347  -1.174  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.429   0.221  -3.431  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.021   0.535  -3.836  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.418   0.289  -1.982  1.00  0.00           H  
HETATM   48  H   UNL     1       1.464  -1.424   2.523  1.00  0.00           H  
HETATM   49  H   UNL     1       1.891  -3.748   3.049  1.00  0.00           H  
HETATM   50  H   UNL     1       0.210  -2.865   0.119  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.032  -2.336  -1.089  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.427  -3.022  -0.739  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.690  -3.031   0.514  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.219  -1.929   2.012  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.572  -0.317   1.623  1.00  0.00           H  
CONECT    1    2    8    9                                            
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   31                                            
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8    8   32                                       
CONECT    8    1    7    7   33                                       
CONECT    9    1   13   27   34                                       
CONECT   10   11   18   30   35                                       
CONECT   11   10   12   12   17                                       
CONECT   12   11   11   14   36                                       
CONECT   13    9   24   37   38                                       
CONECT   14   12   15   15   39                                       
CONECT   15   14   14   16   40                                       
CONECT   16   15   17   17   41                                       
CONECT   17   11   16   16   42                                       
CONECT   18   10   19   19   23                                       
CONECT   19   18   18   20   43                                       
CONECT   20   19   21   21   44                                       
CONECT   21   20   20   22   45                                       
CONECT   22   21   23   23   46                                       
CONECT   23   18   22   22   47                                       
CONECT   24   13   25   26   48                                       
CONECT   25   24   49                                                 
CONECT   26   24   27   29   50                                       
CONECT   27    9   26                                                 
CONECT   28   30   51   52   53                                       
CONECT   29   26   30   54   55                                       
CONECT   30   10   28   29                                            
CONECT   31    4                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
