COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.932  -0.079  -1.822  1.00  0.00           C  
HETATM    2  C   UNL     1       1.184  -0.858  -0.694  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.257  -1.072   0.813  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.504  -0.631   0.552  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.606  -0.971   1.456  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.233   0.761  -0.002  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.857  -0.522  -0.405  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.686  -1.074   0.069  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.884  -0.360   0.942  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.251   0.911   1.345  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.420   1.476   0.879  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.346   0.374  -2.082  1.00  0.00           C  
HETATM   13  C   UNL     1       0.145  -1.184   0.169  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.146  -0.729  -0.099  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.383   0.059  -1.227  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.047  -1.751   1.799  1.00  0.00           O  
HETATM   17  C   UNL     1      -9.484   1.362  -0.511  1.00  0.00           C  
HETATM   18  O   UNL     1      -9.844   2.599  -0.120  1.00  0.00           O  
HETATM   19  O   UNL     1     -10.187   0.739  -1.281  1.00  0.00           O  
HETATM   20  N   UNL     1       3.637  -1.110  -1.141  1.00  0.00           N  
HETATM   21  N   UNL     1       4.631  -1.697  -0.568  1.00  0.00           N  
HETATM   22  N   UNL     1       4.219  -2.290   0.498  1.00  0.00           N  
HETATM   23  N   UNL     1       2.951  -2.092   0.623  1.00  0.00           N  
HETATM   24  C   UNL     1       2.561  -1.340  -0.415  1.00  0.00           C  
HETATM   25  C   UNL     1       6.014  -1.690  -1.053  1.00  0.00           C  
HETATM   26  C   UNL     1       8.092   1.652   0.613  1.00  0.00           C  
HETATM   27  C   UNL     1       8.086   0.435   1.279  1.00  0.00           C  
HETATM   28  C   UNL     1       7.413  -0.644   0.738  1.00  0.00           C  
HETATM   29  C   UNL     1       6.746  -0.511  -0.465  1.00  0.00           C  
HETATM   30  C   UNL     1       6.751   0.701  -1.131  1.00  0.00           C  
HETATM   31  C   UNL     1       7.422   1.782  -0.595  1.00  0.00           C  
HETATM   32  O   UNL     1       8.749   2.716   1.145  1.00  0.00           O  
HETATM   33  C   UNL     1       8.713   3.938   0.405  1.00  0.00           C  
HETATM   34  H   UNL     1       1.740   0.175  -2.493  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.672  -0.089  -0.235  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.714  -2.054   1.505  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.392  -0.581   2.452  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.482  -1.080  -1.086  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.393  -2.067  -0.241  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.621   1.463   2.027  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.705   2.469   1.194  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.536   0.978  -2.957  1.00  0.00           H  
HETATM   43  H   UNL     1       0.335  -1.788   1.044  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.381   0.416  -1.434  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.670   2.950  -0.479  1.00  0.00           H  
HETATM   46  H   UNL     1       6.509  -2.613  -0.752  1.00  0.00           H  
HETATM   47  H   UNL     1       6.017  -1.614  -2.140  1.00  0.00           H  
HETATM   48  H   UNL     1       8.608   0.331   2.219  1.00  0.00           H  
HETATM   49  H   UNL     1       7.409  -1.591   1.257  1.00  0.00           H  
HETATM   50  H   UNL     1       6.229   0.802  -2.071  1.00  0.00           H  
HETATM   51  H   UNL     1       7.426   2.728  -1.115  1.00  0.00           H  
HETATM   52  H   UNL     1       9.158   3.780  -0.578  1.00  0.00           H  
HETATM   53  H   UNL     1       7.678   4.261   0.287  1.00  0.00           H  
HETATM   54  H   UNL     1       9.274   4.704   0.940  1.00  0.00           H  
CONECT    1   12   12    2   34                                       
CONECT    2    1   13   13   24                                       
CONECT    3    4   14   16   16                                       
CONECT    4    3    5   35                                            
CONECT    5    4    9   36   37                                       
CONECT    6   17    7    7   11                                       
CONECT    7    6    6    8   38                                       
CONECT    8    7    9    9   39                                       
CONECT    9    5    8    8   10                                       
CONECT   10    9   11   11   40                                       
CONECT   11    6   10   10   41                                       
CONECT   12    1    1   15   42                                       
CONECT   13    2    2   14   43                                       
CONECT   14    3   13   15   15                                       
CONECT   15   12   14   14   44                                       
CONECT   16    3    3                                                 
CONECT   17    6   19   19   18                                       
CONECT   18   17   45                                                 
CONECT   19   17   17                                                 
CONECT   20   24   24   21                                            
CONECT   21   20   25   22                                            
CONECT   22   21   23   23                                            
CONECT   23   22   22   24                                            
CONECT   24    2   20   20   23                                       
CONECT   25   21   29   46   47                                       
CONECT   26   32   31   31   27                                       
CONECT   27   26   28   28   48                                       
CONECT   28   27   27   29   49                                       
CONECT   29   25   28   30   30                                       
CONECT   30   29   29   31   50                                       
CONECT   31   26   26   30   51                                       
CONECT   32   26   33                                                 
CONECT   33   32   52   53   54                                       
CONECT   34    1                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   18                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   30                                                      
CONECT   51   31                                                      
CONECT   52   33                                                      
CONECT   53   33                                                      
CONECT   54   33                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
