COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.538  -2.984  -0.142  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.697  -3.528  -0.205  1.00  0.00           C  
HETATM    3  N   UNL     1       7.705   2.566   1.321  1.00  0.00           N  
HETATM    4  C   UNL     1       3.830  -2.352  -0.074  1.00  0.00           C  
HETATM    5  N   UNL     1      -6.004   1.296   0.249  1.00  0.00           N  
HETATM    6  C   UNL     1       5.802  -0.357   0.014  1.00  0.00           C  
HETATM    7  C   UNL     1       6.982   1.464   1.273  1.00  0.00           C  
HETATM    8  C   UNL     1       8.115   3.174   0.225  1.00  0.00           C  
HETATM    9  C   UNL     1       7.799   2.672  -1.023  1.00  0.00           C  
HETATM   10  C   UNL     1       7.041   1.515  -1.113  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.952   0.356  -0.039  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.790   1.803  -0.572  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.806  -0.466   0.685  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.188   0.712   1.185  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.081   1.825  -0.933  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.612   1.421  -1.084  1.00  0.00           C  
HETATM   17  O   UNL     1      -8.754   0.860  -0.120  1.00  0.00           O  
HETATM   18  C   UNL     1      -6.720   0.297   1.056  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.644   0.980   0.152  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.448   1.492  -0.666  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.148  -0.155   0.780  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.591   0.044  -0.130  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.185  -1.275  -0.147  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.072  -2.259  -0.188  1.00  0.00           N  
HETATM   25  N   UNL     1       0.561  -3.899  -0.183  1.00  0.00           N  
HETATM   26  C   UNL     1       1.193  -1.613  -0.122  1.00  0.00           C  
HETATM   27  N   UNL     1       2.144  -0.681  -0.080  1.00  0.00           N  
HETATM   28  C   UNL     1       3.420  -1.011  -0.056  1.00  0.00           C  
HETATM   29  C   UNL     1       2.898  -3.346  -0.111  1.00  0.00           C  
HETATM   30  N   UNL     1       4.380  -0.008  -0.013  1.00  0.00           N  
HETATM   31  C   UNL     1       6.627   0.903   0.060  1.00  0.00           C  
HETATM   32  H   UNL     1      -1.461  -4.292  -0.239  1.00  0.00           H  
HETATM   33  H   UNL     1       4.881  -2.596  -0.050  1.00  0.00           H  
HETATM   34  H   UNL     1       6.012  -0.961   0.897  1.00  0.00           H  
HETATM   35  H   UNL     1       6.054  -0.924  -0.882  1.00  0.00           H  
HETATM   36  H   UNL     1       6.664   0.993   2.191  1.00  0.00           H  
HETATM   37  H   UNL     1       8.705   4.075   0.305  1.00  0.00           H  
HETATM   38  H   UNL     1       8.137   3.175  -1.917  1.00  0.00           H  
HETATM   39  H   UNL     1       6.779   1.100  -2.075  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.176   2.685  -1.060  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.421  -1.349   1.173  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.253   1.660   1.719  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.736  -0.054   1.735  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.142   2.805  -0.461  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.551   1.864  -1.916  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.082   2.184  -1.655  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.548   0.466  -1.605  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.659  -0.676   0.569  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.270   0.239   2.046  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.784   2.131  -1.229  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.812  -0.795   1.342  1.00  0.00           H  
HETATM   52  H   UNL     1       0.068   0.755  -0.182  1.00  0.00           H  
HETATM   53  H   UNL     1       3.195  -4.385  -0.125  1.00  0.00           H  
HETATM   54  H   UNL     1       4.108   0.923   0.000  1.00  0.00           H  
CONECT    1   26   26   29   25                                       
CONECT    2   24   25   25   32                                       
CONECT    3    7    8    8                                            
CONECT    4   28   29   29   33                                       
CONECT    5   16   19   18                                            
CONECT    6   31   30   34   35                                       
CONECT    7   31   31    3   36                                       
CONECT    8    3    3    9   37                                       
CONECT    9   10   10    8   38                                       
CONECT   10   31    9    9   39                                       
CONECT   11   13   22   20   20                                       
CONECT   12   19   19   20   40                                       
CONECT   13   21   21   11   41                                       
CONECT   14   17   18   42   43                                       
CONECT   15   16   17   44   45                                       
CONECT   16   15    5   46   47                                       
CONECT   17   15   14                                                 
CONECT   18    5   14   48   49                                       
CONECT   19   21    5   12   12                                       
CONECT   20   11   11   12   50                                       
CONECT   21   13   13   19   51                                       
CONECT   22   11   23   52                                            
CONECT   23   22   26   24   24                                       
CONECT   24   23   23    2                                            
CONECT   25    1    2    2                                            
CONECT   26   27   23    1    1                                       
CONECT   27   28   28   26                                            
CONECT   28   30   27   27    4                                       
CONECT   29    4    4    1   53                                       
CONECT   30    6   28   54                                            
CONECT   31    6    7    7   10                                       
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
