COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.608  -2.650   7.179  1.00  0.00           C  
HETATM    2  N   UNL     1       6.516  -2.634   6.392  1.00  0.00           N  
HETATM    3  C   UNL     1       6.661  -1.964   5.231  1.00  0.00           C  
HETATM    4  C   UNL     1       7.826  -1.331   4.850  1.00  0.00           C  
HETATM    5  C   UNL     1       8.873  -1.420   5.745  1.00  0.00           C  
HETATM    6  N   UNL     1       8.799  -2.074   6.923  1.00  0.00           N  
HETATM    7  C   UNL     1       7.940  -0.620   3.592  1.00  0.00           C  
HETATM    8  C   UNL     1       7.621   0.734   3.529  1.00  0.00           C  
HETATM    9  C   UNL     1       7.729   1.419   2.318  1.00  0.00           C  
HETATM   10  C   UNL     1       8.157   0.747   1.173  1.00  0.00           C  
HETATM   11  C   UNL     1       8.477  -0.609   1.239  1.00  0.00           C  
HETATM   12  C   UNL     1       8.369  -1.294   2.449  1.00  0.00           C  
HETATM   13  C   UNL     1       2.212  -2.750   3.276  1.00  0.00           C  
HETATM   14  N   UNL     1       1.068  -2.800   2.557  1.00  0.00           N  
HETATM   15  C   UNL     1       0.996  -2.034   1.424  1.00  0.00           C  
HETATM   16  C   UNL     1       2.067  -1.226   1.017  1.00  0.00           C  
HETATM   17  C   UNL     1       3.228  -1.202   1.783  1.00  0.00           C  
HETATM   18  C   UNL     1       3.309  -1.976   2.935  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.099  -2.477  -0.758  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.312  -1.949  -1.516  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.519  -2.342  -0.863  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.589  -1.774   0.445  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.449  -2.292   1.313  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.164  -2.047   0.643  1.00  0.00           N  
HETATM   25  C   UNL     1       5.481  -1.968   4.422  1.00  0.00           C  
HETATM   26  C   UNL     1       4.486  -1.972   3.741  1.00  0.00           C  
HETATM   27  N   UNL     1       8.267   1.440  -0.050  1.00  0.00           N  
HETATM   28  C   UNL     1       7.398   2.563  -0.339  1.00  0.00           C  
HETATM   29  C   UNL     1       9.261   1.047  -1.030  1.00  0.00           C  
HETATM   30  N   UNL     1      10.104  -0.796   5.421  1.00  0.00           N  
HETATM   31  H   UNL     1       7.521  -3.181   8.119  1.00  0.00           H  
HETATM   32  H   UNL     1       7.285   1.272   4.412  1.00  0.00           H  
HETATM   33  H   UNL     1       7.478   2.475   2.278  1.00  0.00           H  
HETATM   34  H   UNL     1       8.812  -1.142   0.352  1.00  0.00           H  
HETATM   35  H   UNL     1       8.621  -2.351   2.484  1.00  0.00           H  
HETATM   36  H   UNL     1       2.213  -3.377   4.163  1.00  0.00           H  
HETATM   37  H   UNL     1       1.995  -0.625   0.117  1.00  0.00           H  
HETATM   38  H   UNL     1       4.060  -0.576   1.471  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.481  -1.793   2.289  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.560  -3.371   1.476  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.551  -2.057   0.884  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.569  -0.680   0.368  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.284  -0.857  -1.604  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.327  -2.364  -2.529  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.083  -3.573  -0.790  1.00  0.00           H  
HETATM   46  H   UNL     1       0.817  -2.108  -1.235  1.00  0.00           H  
HETATM   47  H   UNL     1       7.277   2.677  -1.419  1.00  0.00           H  
HETATM   48  H   UNL     1       7.823   3.484   0.067  1.00  0.00           H  
HETATM   49  H   UNL     1       6.413   2.403   0.110  1.00  0.00           H  
HETATM   50  H   UNL     1      10.217   0.849  -0.537  1.00  0.00           H  
HETATM   51  H   UNL     1       9.403   1.843  -1.765  1.00  0.00           H  
HETATM   52  H   UNL     1       8.940   0.141  -1.551  1.00  0.00           H  
HETATM   53  H   UNL     1      10.954  -1.260   5.654  1.00  0.00           H  
HETATM   54  H   UNL     1      10.090   0.131   5.056  1.00  0.00           H  
CONECT    1    2    2    6   31                                       
CONECT    2    1    1    3                                            
CONECT    3    2   25    4    4                                       
CONECT    4    3    3    7    5                                       
CONECT    5    4   30    6    6                                       
CONECT    6    1    5    5                                            
CONECT    7    4   12   12    8                                       
CONECT    8    7    9    9   32                                       
CONECT    9    8    8   10   33                                       
CONECT   10    9   27   11   11                                       
CONECT   11   10   10   12   34                                       
CONECT   12    7    7   11   35                                       
CONECT   13   14   14   18   36                                       
CONECT   14   13   13   15                                            
CONECT   15   14   24   16   16                                       
CONECT   16   15   15   17   37                                       
CONECT   17   16   18   18   38                                       
CONECT   18   13   17   17   26                                       
CONECT   19   20   24   45   46                                       
CONECT   20   19   21   43   44                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   41   42                                       
CONECT   23   22   24   39   40                                       
CONECT   24   15   19   23                                            
CONECT   25    3   26   26   26                                       
CONECT   26   18   25   25   25                                       
CONECT   27   10   28   29                                            
CONECT   28   27   47   48   49                                       
CONECT   29   27   50   51   52                                       
CONECT   30    5   53   54                                            
CONECT   31    1                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
