COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.874   0.908   0.239  1.00  0.00           C  
HETATM    2  C   UNL     1       6.176   0.452   0.299  1.00  0.00           C  
HETATM    3  C   UNL     1       6.448  -0.895   0.155  1.00  0.00           C  
HETATM    4  C   UNL     1       5.415  -1.798  -0.052  1.00  0.00           C  
HETATM    5  C   UNL     1       4.105  -1.350  -0.113  1.00  0.00           C  
HETATM    6  C   UNL     1       3.830   0.007   0.033  1.00  0.00           C  
HETATM    7  C   UNL     1       2.430   0.493  -0.026  1.00  0.00           C  
HETATM    8  C   UNL     1       1.387  -0.409  -0.227  1.00  0.00           C  
HETATM    9  C   UNL     1       0.084   0.042  -0.281  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.191   1.395  -0.136  1.00  0.00           C  
HETATM   11  C   UNL     1       0.850   2.302   0.065  1.00  0.00           C  
HETATM   12  C   UNL     1       2.155   1.852   0.126  1.00  0.00           C  
HETATM   13  O   UNL     1       5.687  -3.122  -0.194  1.00  0.00           O  
HETATM   14  C   UNL     1       7.060  -3.513  -0.120  1.00  0.00           C  
HETATM   15  O   UNL     1       0.580   3.627   0.207  1.00  0.00           O  
HETATM   16  C   UNL     1       1.694   4.498   0.409  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.512   1.850  -0.191  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.565   0.933  -0.233  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.542  -0.191   0.583  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.584  -1.096   0.540  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.651  -0.883  -0.314  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.677   0.234  -1.128  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.641   1.146  -1.086  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.787  -1.873  -0.359  1.00  0.00           C  
HETATM   25  N   UNL     1      -6.811  -1.486   0.621  1.00  0.00           N1+
HETATM   26  C   UNL     1      -7.402  -0.199   0.230  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.861  -2.513   0.663  1.00  0.00           C  
HETATM   28  H   UNL     1       4.664   1.961   0.356  1.00  0.00           H  
HETATM   29  H   UNL     1       6.984   1.151   0.460  1.00  0.00           H  
HETATM   30  H   UNL     1       7.469  -1.246   0.203  1.00  0.00           H  
HETATM   31  H   UNL     1       3.300  -2.052  -0.273  1.00  0.00           H  
HETATM   32  H   UNL     1       1.598  -1.462  -0.340  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.723  -0.658  -0.436  1.00  0.00           H  
HETATM   34  H   UNL     1       2.962   2.552   0.286  1.00  0.00           H  
HETATM   35  H   UNL     1       7.623  -3.012  -0.907  1.00  0.00           H  
HETATM   36  H   UNL     1       7.465  -3.233   0.852  1.00  0.00           H  
HETATM   37  H   UNL     1       7.137  -4.593  -0.249  1.00  0.00           H  
HETATM   38  H   UNL     1       2.222   4.208   1.318  1.00  0.00           H  
HETATM   39  H   UNL     1       2.371   4.427  -0.442  1.00  0.00           H  
HETATM   40  H   UNL     1       1.340   5.525   0.507  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.698   2.802  -0.201  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.709  -0.358   1.250  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.567  -1.970   1.174  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.512   0.397  -1.794  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.664   2.020  -1.719  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.224  -1.880  -1.357  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.412  -2.868  -0.119  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.389  -1.400   1.533  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.858  -0.293  -0.755  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.161   0.088   0.957  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.623   0.563   0.199  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.423  -3.468   0.953  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.621  -2.227   1.390  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.317  -2.607  -0.322  1.00  0.00           H  
CONECT    1    2    6    6   28                                       
CONECT    2    3    3    1   29                                       
CONECT    3    2    2    4   30                                       
CONECT    4    3   13    5    5                                       
CONECT    5    4    4    6   31                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6    8    8   12                                       
CONECT    8    7    7    9   32                                       
CONECT    9    8   10   10   33                                       
CONECT   10    9    9   11   17                                       
CONECT   11   12   12   10   15                                       
CONECT   12    7   11   11   34                                       
CONECT   13    4   14                                                 
CONECT   14   13   35   36   37                                       
CONECT   15   11   16                                                 
CONECT   16   15   38   39   40                                       
CONECT   17   10   18   41                                            
CONECT   18   19   17   23   23                                       
CONECT   19   20   20   18   42                                       
CONECT   20   19   19   21   43                                       
CONECT   21   20   24   22   22                                       
CONECT   22   21   21   23   44                                       
CONECT   23   18   18   22   45                                       
CONECT   24   21   25   46   47                                       
CONECT   25   24   27   26   48                                       
CONECT   26   25   49   50   51                                       
CONECT   27   25   52   53   54                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
