COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.378   1.644  -0.017  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.149   0.567  -0.096  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.655  -0.660  -0.130  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.341  -0.865  -0.086  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.492   0.249  -0.003  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.053   1.531   0.031  1.00  0.00           C  
HETATM    7  C   UNL     1       1.366  -3.939   0.544  1.00  0.00           C  
HETATM    8  C   UNL     1       3.539   0.498  -2.928  1.00  0.00           C  
HETATM    9  N   UNL     1      -6.523   0.734  -0.144  1.00  0.00           N  
HETATM   10  N   UNL     1      -2.250   2.654   0.113  1.00  0.00           N  
HETATM   11  C   UNL     1       0.134   0.466   0.112  1.00  0.00           C  
HETATM   12  C   UNL     1       4.925   1.994   0.613  1.00  0.00           C  
HETATM   13  C   UNL     1       4.222   1.825   1.792  1.00  0.00           C  
HETATM   14  C   UNL     1       4.436   1.479  -0.574  1.00  0.00           C  
HETATM   15  C   UNL     1       3.025   1.140   1.796  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.263  -1.645  -0.037  1.00  0.00           C  
HETATM   17  C   UNL     1       1.625  -2.509   0.067  1.00  0.00           C  
HETATM   18  C   UNL     1       1.176  -1.521   1.145  1.00  0.00           C  
HETATM   19  O   UNL     1       2.754   0.282  -1.753  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.568  -1.964  -0.103  1.00  0.00           O  
HETATM   21  C   UNL     1       1.242  -0.118   0.601  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.123  -0.295   0.028  1.00  0.00           C  
HETATM   23  C   UNL     1       3.236   0.789  -0.588  1.00  0.00           C  
HETATM   24  C   UNL     1       2.520   0.614   0.605  1.00  0.00           C  
HETATM   25  H   UNL     1       0.301  -4.071   0.736  1.00  0.00           H  
HETATM   26  H   UNL     1       1.687  -4.642  -0.224  1.00  0.00           H  
HETATM   27  H   UNL     1       1.926  -4.123   1.461  1.00  0.00           H  
HETATM   28  H   UNL     1       4.522   0.047  -2.797  1.00  0.00           H  
HETATM   29  H   UNL     1       3.042   0.044  -3.785  1.00  0.00           H  
HETATM   30  H   UNL     1       3.650   1.569  -3.098  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.904   1.625  -0.120  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.103  -0.041  -0.202  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.651   3.536   0.135  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.285   2.558   0.148  1.00  0.00           H  
HETATM   35  H   UNL     1       0.167   1.493  -0.220  1.00  0.00           H  
HETATM   36  H   UNL     1       5.860   2.536   0.618  1.00  0.00           H  
HETATM   37  H   UNL     1       4.613   2.230   2.714  1.00  0.00           H  
HETATM   38  H   UNL     1       4.990   1.615  -1.491  1.00  0.00           H  
HETATM   39  H   UNL     1       2.479   1.009   2.719  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.449  -2.354  -0.035  1.00  0.00           H  
HETATM   41  C   UNL     1       3.120  -2.324  -0.203  1.00  0.00           C  
HETATM   42  H   UNL     1       1.065  -2.325  -0.850  1.00  0.00           H  
HETATM   43  H   UNL     1       0.152  -1.748   1.442  1.00  0.00           H  
HETATM   44  H   UNL     1       1.832  -1.606   2.012  1.00  0.00           H  
HETATM   45  H   UNL     1       3.680  -2.507   0.714  1.00  0.00           H  
HETATM   46  H   UNL     1       3.440  -3.027  -0.972  1.00  0.00           H  
HETATM   47  H   UNL     1       3.304  -1.305  -0.544  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    3    9                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   20                                       
CONECT    5    4    6    6   22                                       
CONECT    6    1    5    5   10                                       
CONECT    7   17   25   26   27                                       
CONECT    8   19   28   29   30                                       
CONECT    9    2   31   32                                            
CONECT   10    6   33   34                                            
CONECT   11   21   21   22   35                                       
CONECT   12   13   13   14   36                                       
CONECT   13   12   12   15   37                                       
CONECT   14   12   23   23   38                                       
CONECT   15   13   24   24   39                                       
CONECT   16   20   22   22   40                                       
CONECT   17    7   18   41   42                                       
CONECT   18   17   21   43   44                                       
CONECT   19    8   23                                                 
CONECT   20    4   16                                                 
CONECT   21   11   11   18   24                                       
CONECT   22    5   11   16   16                                       
CONECT   23   14   14   19   24                                       
CONECT   24   15   15   21   23                                       
CONECT   25    7                                                      
CONECT   26    7                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17   45   46   47                                       
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   41                                                      
CONECT   46   41                                                      
CONECT   47   41                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
