COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.293   2.318   0.985  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.630   1.056   0.543  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.929  -1.170  -0.363  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.045  -1.983   0.480  1.00  0.00           C  
HETATM    5  C   UNL     1       1.400  -2.394   0.605  1.00  0.00           C  
HETATM    6  C   UNL     1       0.511  -0.302  -0.507  1.00  0.00           C  
HETATM    7  C   UNL     1       1.999   1.499  -1.077  1.00  0.00           C  
HETATM    8  C   UNL     1       0.730   0.962  -1.041  1.00  0.00           C  
HETATM    9  C   UNL     1       5.424   0.592  -0.046  1.00  0.00           C  
HETATM   10  C   UNL     1       6.702  -0.055   1.877  1.00  0.00           C  
HETATM   11  C   UNL     1       7.316  -0.861  -0.295  1.00  0.00           C  
HETATM   12  O   UNL     1      -5.030  -1.949  -0.610  1.00  0.00           O  
HETATM   13  O   UNL     1      -7.212  -1.547  -0.528  1.00  0.00           O  
HETATM   14  C   UNL     1      -5.615   0.189   0.119  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.036   2.719   1.009  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.046   1.947   0.616  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.288   0.653   0.164  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.241  -0.159  -0.249  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.857   0.300  -0.105  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.902  -0.826  -0.507  1.00  0.00           C  
HETATM   21  C   UNL     1       3.069   0.769  -0.575  1.00  0.00           C  
HETATM   22  C   UNL     1       2.849  -0.491  -0.041  1.00  0.00           C  
HETATM   23  C   UNL     1       1.569  -1.026  -0.004  1.00  0.00           C  
HETATM   24  C   UNL     1       0.062  -3.004   0.192  1.00  0.00           C  
HETATM   25  N   UNL     1       4.361   1.302  -0.609  1.00  0.00           N  
HETATM   26  C   UNL     1       4.599   2.604  -1.236  1.00  0.00           C  
HETATM   27  C   UNL     1       6.262  -0.165  -0.855  1.00  0.00           C  
HETATM   28  C   UNL     1       7.531  -0.812   1.070  1.00  0.00           C  
HETATM   29  C   UNL     1       5.650   0.647   1.324  1.00  0.00           C  
HETATM   30  H   UNL     1      -7.071   2.991   1.314  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.663   0.740   0.525  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.945  -1.611   1.499  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.020  -2.454   0.355  1.00  0.00           H  
HETATM   34  H   UNL     1       2.209  -3.040   0.267  1.00  0.00           H  
HETATM   35  H   UNL     1       1.436  -2.310   1.691  1.00  0.00           H  
HETATM   36  H   UNL     1       2.160   2.482  -1.493  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.101   1.529  -1.432  1.00  0.00           H  
HETATM   38  H   UNL     1       6.878  -0.013   2.942  1.00  0.00           H  
HETATM   39  H   UNL     1       7.964  -1.454  -0.923  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.367  -2.447  -0.846  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.032   2.317   0.657  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.425  -1.031  -0.632  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.692   1.163  -0.750  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.673   0.581   0.932  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.157  -1.173  -1.508  1.00  0.00           H  
HETATM   46  H   UNL     1       3.680  -1.061   0.348  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.119  -3.914   0.764  1.00  0.00           H  
HETATM   48  H   UNL     1       0.078  -3.237  -0.873  1.00  0.00           H  
HETATM   49  H   UNL     1       4.826   2.463  -2.292  1.00  0.00           H  
HETATM   50  H   UNL     1       3.708   3.224  -1.135  1.00  0.00           H  
HETATM   51  H   UNL     1       5.440   3.095  -0.746  1.00  0.00           H  
HETATM   52  H   UNL     1       6.089  -0.211  -1.920  1.00  0.00           H  
HETATM   53  H   UNL     1       8.356  -1.357   1.505  1.00  0.00           H  
HETATM   54  H   UNL     1       5.003   1.239   1.955  1.00  0.00           H  
CONECT    1   15   15    2   30                                       
CONECT    2   14   14    1   31                                       
CONECT    3   12   12   14   13                                       
CONECT    4   20   24   32   33                                       
CONECT    5   23   24   34   35                                       
CONECT    6    8   20   23   23                                       
CONECT    7    8    8   21   36                                       
CONECT    8    7    7    6   37                                       
CONECT    9   27   27   29   25                                       
CONECT   10   28   29   29   38                                       
CONECT   11   28   28   27   39                                       
CONECT   12    3    3                                                 
CONECT   13    3   40                                                 
CONECT   14   17    3    2    2                                       
CONECT   15   16    1    1                                            
CONECT   16   17   17   15   41                                       
CONECT   17   18   16   16   14                                       
CONECT   18   19   17   42                                            
CONECT   19   20   18   43   44                                       
CONECT   20    6   19    4   45                                       
CONECT   21    7   25   22   22                                       
CONECT   22   21   21   23   46                                       
CONECT   23    6    6   22    5                                       
CONECT   24    4    5   47   48                                       
CONECT   25    9   21   26                                            
CONECT   26   25   49   50   51                                       
CONECT   27   11    9    9   52                                       
CONECT   28   11   11   10   53                                       
CONECT   29   10   10    9   54                                       
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   16                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
