COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.213   0.719  -1.988  1.00  0.00           N  
HETATM    2  C   UNL     1       5.371   0.815  -1.351  1.00  0.00           C  
HETATM    3  N   UNL     1       5.487   0.541  -0.059  1.00  0.00           N  
HETATM    4  C   UNL     1       4.441   0.156   0.654  1.00  0.00           C  
HETATM    5  C   UNL     1       3.199   0.039   0.029  1.00  0.00           C  
HETATM    6  C   UNL     1       3.115   0.339  -1.346  1.00  0.00           C  
HETATM    7  C   UNL     1       4.350   1.120   2.937  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.119  -4.640  -0.800  1.00  0.00           C  
HETATM    9  N   UNL     1       6.493   1.214  -2.055  1.00  0.00           N  
HETATM   10  N   UNL     1       1.908   0.241  -2.015  1.00  0.00           N  
HETATM   11  C   UNL     1       1.093  -0.714   1.366  1.00  0.00           C  
HETATM   12  C   UNL     1       2.042  -0.375   0.763  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.593   3.378  -0.302  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.905   2.217  -0.986  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.499   3.416   0.543  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.124   1.090  -0.829  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.715   2.293   0.712  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.594  -2.338   0.515  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.075  -0.053   1.045  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.488  -1.258  -0.492  1.00  0.00           C  
HETATM   21  C   UNL     1       4.589  -0.153   2.122  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.097  -1.140   2.121  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.984  -3.522  -1.011  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.289  -1.178   1.201  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.691  -2.380  -0.334  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.021   1.123   0.021  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.178  -0.086   0.195  1.00  0.00           C  
HETATM   28  H   UNL     1       5.078   1.878   2.650  1.00  0.00           H  
HETATM   29  H   UNL     1       3.343   1.491   2.744  1.00  0.00           H  
HETATM   30  H   UNL     1       4.457   0.896   3.998  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.130  -4.914   0.254  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.465  -5.484  -1.398  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.104  -4.376  -1.097  1.00  0.00           H  
HETATM   34  H   UNL     1       6.424   1.418  -3.001  1.00  0.00           H  
HETATM   35  H   UNL     1       7.347   1.289  -1.603  1.00  0.00           H  
HETATM   36  H   UNL     1       1.859   0.449  -2.961  1.00  0.00           H  
HETATM   37  H   UNL     1       1.111  -0.038  -1.538  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.204   4.259  -0.432  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.760   2.193  -1.645  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.257   4.327   1.071  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.369   0.184  -1.363  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.861   2.324   1.373  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.973  -3.214   0.637  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.832   0.854   1.579  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.341  -1.289  -1.153  1.00  0.00           H  
HETATM   46  H   UNL     1       3.860  -0.911   2.409  1.00  0.00           H  
HETATM   47  H   UNL     1       5.595  -0.524   2.315  1.00  0.00           H  
HETATM   48  H   UNL     1       0.073  -2.133   2.537  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.285  -0.434   2.931  1.00  0.00           H  
CONECT    1    6    6    2                                            
CONECT    2    1    9    3    3                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5   21                                       
CONECT    5    4    4    6   12                                       
CONECT    6    1    1    5   10                                       
CONECT    7   21   28   29   30                                       
CONECT    8   23   31   32   33                                       
CONECT    9    2   34   35                                            
CONECT   10    6   36   37                                            
CONECT   11   12   12   12   22                                       
CONECT   12    5   11   11   11                                       
CONECT   13   14   14   15   38                                       
CONECT   14   13   13   16   39                                       
CONECT   15   13   17   17   40                                       
CONECT   16   14   26   26   41                                       
CONECT   17   15   15   26   42                                       
CONECT   18   24   24   25   43                                       
CONECT   19   24   27   27   44                                       
CONECT   20   27   25   25   45                                       
CONECT   21    4    7   46   47                                       
CONECT   22   11   24   48   49                                       
CONECT   23    8   25                                                 
CONECT   24   18   18   19   22                                       
CONECT   25   18   20   20   23                                       
CONECT   26   16   16   17   27                                       
CONECT   27   19   19   20   26                                       
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
