COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.563  -3.954  -0.078  1.00  0.00           C  
HETATM    2  C   UNL     1       1.296   0.532   1.228  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.452   3.854   0.059  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.956   4.132   0.071  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.825   4.493  -1.182  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.813   4.449   1.316  1.00  0.00           C  
HETATM    7  C   UNL     1       2.711  -0.052   1.208  1.00  0.00           C  
HETATM    8  C   UNL     1       2.744   0.112  -1.207  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.545  -4.665   0.023  1.00  0.00           O  
HETATM   10  N   UNL     1      -3.259   1.567   0.022  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.994  -1.898  -0.036  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.709  -2.488  -0.052  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.584  -1.669  -0.042  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.100   0.236  -0.003  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.216   2.366   0.031  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.148  -0.589  -0.013  1.00  0.00           N  
HETATM   17  N   UNL     1      -0.970   1.926   0.018  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.781  -0.284  -0.017  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.697   0.626  -0.006  1.00  0.00           C  
HETATM   20  N   UNL     1      -5.110  -2.709  -0.047  1.00  0.00           N  
HETATM   21  N   UNL     1      -1.341  -4.508  -0.207  1.00  0.00           N  
HETATM   22  N   UNL     1       0.604   0.177  -0.018  1.00  0.00           N  
HETATM   23  N   UNL     1       3.436   0.467   0.040  1.00  0.00           N  
HETATM   24  C   UNL     1       1.329   0.696  -1.186  1.00  0.00           C  
HETATM   25  C   UNL     1       4.744   0.015   0.027  1.00  0.00           C  
HETATM   26  N   UNL     1       5.547   0.387  -0.959  1.00  0.00           N  
HETATM   27  C   UNL     1       6.802  -0.027  -1.001  1.00  0.00           C  
HETATM   28  C   UNL     1       7.274  -0.859   0.002  1.00  0.00           C  
HETATM   29  C   UNL     1       6.408  -1.228   1.019  1.00  0.00           C  
HETATM   30  N   UNL     1       5.165  -0.774   1.004  1.00  0.00           N  
HETATM   31  H   UNL     1       0.747   0.126   2.078  1.00  0.00           H  
HETATM   32  H   UNL     1       1.352   1.617   1.317  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.411   3.709  -0.825  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.403   3.677   0.955  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.127   5.209   0.090  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.995   5.569  -1.162  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.753   4.295  -1.191  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.280   4.069  -2.078  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.260   3.993   2.200  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.742   4.250   1.307  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.984   5.525   1.336  1.00  0.00           H  
HETATM   42  H   UNL     1       3.236   0.234   2.119  1.00  0.00           H  
HETATM   43  H   UNL     1       2.654  -1.139   1.147  1.00  0.00           H  
HETATM   44  H   UNL     1       3.293   0.518  -2.056  1.00  0.00           H  
HETATM   45  H   UNL     1       2.688  -0.973  -1.295  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.589  -2.090  -0.053  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.011  -3.672   0.016  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.995  -2.317  -0.118  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.245  -5.473  -0.220  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.558  -3.941  -0.288  1.00  0.00           H  
HETATM   51  H   UNL     1       1.386   1.783  -1.125  1.00  0.00           H  
HETATM   52  H   UNL     1       0.804   0.409  -2.097  1.00  0.00           H  
HETATM   53  H   UNL     1       7.452   0.279  -1.808  1.00  0.00           H  
HETATM   54  H   UNL     1       8.295  -1.211  -0.008  1.00  0.00           H  
HETATM   55  H   UNL     1       6.744  -1.875   1.816  1.00  0.00           H  
CONECT    1    9    9   12   21                                       
CONECT    2    7   22   31   32                                       
CONECT    3    4    5    6   15                                       
CONECT    4    3   33   34   35                                       
CONECT    5    3   36   37   38                                       
CONECT    6    3   39   40   41                                       
CONECT    7    2   23   42   43                                       
CONECT    8   23   24   44   45                                       
CONECT    9    1    1                                                 
CONECT   10   14   14   15                                            
CONECT   11   12   16   16   20                                       
CONECT   12    1   11   13   13                                       
CONECT   13   12   12   18   46                                       
CONECT   14   10   10   16   18                                       
CONECT   15    3   10   17   17                                       
CONECT   16   11   11   14                                            
CONECT   17   15   15   19                                            
CONECT   18   13   14   19   19                                       
CONECT   19   17   18   18   22                                       
CONECT   20   11   47   48                                            
CONECT   21    1   49   50                                            
CONECT   22    2   19   24                                            
CONECT   23    7    8   25                                            
CONECT   24    8   22   51   52                                       
CONECT   25   23   26   26   30                                       
CONECT   26   25   25   27                                            
CONECT   27   26   28   28   53                                       
CONECT   28   27   27   29   54                                       
CONECT   29   28   30   30   55                                       
CONECT   30   25   29   29                                            
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46   13                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
