COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.395  -1.293   0.130  1.00  0.00           C  
HETATM    2  C   UNL     1       3.881   0.822   0.289  1.00  0.00           C  
HETATM    3  C   UNL     1       2.171  -0.501  -0.694  1.00  0.00           C  
HETATM    4  C   UNL     1       0.039   0.470  -1.446  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.862  -0.435   0.692  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.725   0.551   1.486  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.098   0.654   0.875  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.117   1.175   1.661  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.396   1.301   1.159  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.668   0.908  -0.138  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.657   0.388  -0.921  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.372   0.258  -0.416  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.315  -0.332  -1.319  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.179  -2.415   1.898  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.414  -1.824   0.866  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.152  -2.435  -0.064  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.494  -1.855  -1.356  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.972  -0.068  -0.736  1.00  0.00           N  
HETATM   19  O   UNL     1      -0.152   0.848  -2.586  1.00  0.00           O  
HETATM   20  C   UNL     1       1.379   0.600  -0.840  1.00  0.00           C  
HETATM   21  N   UNL     1       3.407  -0.394  -0.137  1.00  0.00           N  
HETATM   22  C   UNL     1       4.359  -2.771  -0.160  1.00  0.00           C  
HETATM   23  C   UNL     1       1.840   1.870  -0.409  1.00  0.00           C  
HETATM   24  C   UNL     1       3.079   1.981   0.149  1.00  0.00           C  
HETATM   25  N   UNL     1       3.551   3.223   0.579  1.00  0.00           N  
HETATM   26  N   UNL     1       5.091   0.613   0.777  1.00  0.00           N  
HETATM   27  N   UNL     1       5.384  -0.636   0.679  1.00  0.00           N  
HETATM   28  H   UNL     1       1.813  -1.465  -1.024  1.00  0.00           H  
HETATM   29  H   UNL     1       0.176  -0.390   1.022  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.814   0.204   2.516  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.253   1.533   1.476  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.907   1.484   2.674  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.183   1.706   1.778  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.667   1.006  -0.536  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.868   0.081  -1.935  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.392   0.087  -2.322  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.499  -3.317   0.142  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.529  -2.091  -1.603  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.838  -2.277  -2.117  1.00  0.00           H  
HETATM   40  H   UNL     1       4.757  -2.956  -1.158  1.00  0.00           H  
HETATM   41  H   UNL     1       4.963  -3.301   0.576  1.00  0.00           H  
HETATM   42  H   UNL     1       3.329  -3.126  -0.108  1.00  0.00           H  
HETATM   43  H   UNL     1       1.215   2.743  -0.522  1.00  0.00           H  
HETATM   44  H   UNL     1       4.432   3.295   0.977  1.00  0.00           H  
HETATM   45  H   UNL     1       2.997   4.013   0.481  1.00  0.00           H  
CONECT    1   22   21   27   27                                       
CONECT    2   21   24   26   26                                       
CONECT    3   20   20   21   28                                       
CONECT    4   18   19   19   20                                       
CONECT    5    6   18   15   29                                       
CONECT    6    7    5   30   31                                       
CONECT    7    8    8   12    6                                       
CONECT    8    9    7    7   32                                       
CONECT    9   10   10    8   33                                       
CONECT   10    9    9   11   34                                       
CONECT   11   10   12   12   35                                       
CONECT   12   11   11    7   13                                       
CONECT   13   12   17   18   36                                       
CONECT   14   15   15                                                 
CONECT   15   16    5   14   14                                       
CONECT   16   17   15   37                                            
CONECT   17   13   16   38   39                                       
CONECT   18   13    4    5                                            
CONECT   19    4    4                                                 
CONECT   20    4    3    3   23                                       
CONECT   21    3    1    2                                            
CONECT   22    1   40   41   42                                       
CONECT   23   20   24   24   43                                       
CONECT   24   23   23    2   25                                       
CONECT   25   24   44   45                                            
CONECT   26   27    2    2                                            
CONECT   27    1    1   26                                            
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
