COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.743  -0.326  -0.441  1.00  0.00           C  
HETATM    2  C   UNL     1     -12.063   0.305   0.009  1.00  0.00           C  
HETATM    3  O   UNL     1     -12.085   1.681  -0.381  1.00  0.00           O  
HETATM    4  C   UNL     1     -11.007   2.450   0.160  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.676   1.840  -0.288  1.00  0.00           C  
HETATM    6  N   UNL     1      -9.622   0.432   0.133  1.00  0.00           N  
HETATM    7  C   UNL     1      -8.335  -0.176  -0.229  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.215   0.481   0.580  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.894  -0.143   0.209  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.853  -1.027  -0.621  1.00  0.00           O  
HETATM   11  N   UNL     1      -4.759   0.281   0.799  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.551  -0.367   0.535  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.392   0.363   0.510  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.552  -1.749   0.306  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.405  -2.425   0.046  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.179  -1.729   0.002  1.00  0.00           C  
HETATM   17  C   UNL     1       0.021  -2.393  -0.264  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.169  -0.283   0.245  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.030   0.403   0.215  1.00  0.00           N  
HETATM   20  C   UNL     1       1.132  -0.194  -0.036  1.00  0.00           C  
HETATM   21  C   UNL     1       2.330   0.546  -0.064  1.00  0.00           C  
HETATM   22  C   UNL     1       1.194  -1.637  -0.292  1.00  0.00           C  
HETATM   23  C   UNL     1       2.444  -2.235  -0.554  1.00  0.00           C  
HETATM   24  C   UNL     1       3.564  -1.471  -0.574  1.00  0.00           C  
HETATM   25  C   UNL     1       3.514  -0.093  -0.325  1.00  0.00           C  
HETATM   26  N   UNL     1       4.697   0.648  -0.352  1.00  0.00           N  
HETATM   27  C   UNL     1       5.850   0.092   0.069  1.00  0.00           C  
HETATM   28  O   UNL     1       5.845  -1.018   0.556  1.00  0.00           O  
HETATM   29  C   UNL     1       7.146   0.850  -0.067  1.00  0.00           C  
HETATM   30  C   UNL     1       8.294   0.000   0.482  1.00  0.00           C  
HETATM   31  N   UNL     1       9.557   0.738   0.350  1.00  0.00           N  
HETATM   32  C   UNL     1      10.641   0.062   1.076  1.00  0.00           C  
HETATM   33  C   UNL     1      11.921   0.894   0.962  1.00  0.00           C  
HETATM   34  O   UNL     1      12.234   1.090  -0.419  1.00  0.00           O  
HETATM   35  C   UNL     1      11.200   1.748  -1.157  1.00  0.00           C  
HETATM   36  C   UNL     1       9.913   0.924  -1.064  1.00  0.00           C  
HETATM   37  H   UNL     1     -10.698  -1.359  -0.096  1.00  0.00           H  
HETATM   38  H   UNL     1     -10.680  -0.302  -1.529  1.00  0.00           H  
HETATM   39  H   UNL     1     -12.896  -0.219  -0.460  1.00  0.00           H  
HETATM   40  H   UNL     1     -12.151   0.233   1.093  1.00  0.00           H  
HETATM   41  H   UNL     1     -11.076   3.477  -0.199  1.00  0.00           H  
HETATM   42  H   UNL     1     -11.064   2.440   1.249  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.596   1.898  -1.373  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.852   2.388   0.169  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.363  -1.243  -0.009  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.150  -0.029  -1.293  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.187   1.549   0.360  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.400   0.334   1.644  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.781   1.037   1.406  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.416   1.427   0.693  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.487  -2.289   0.338  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.430  -3.491  -0.126  1.00  0.00           H  
HETATM   53  H   UNL     1       0.040  -3.458  -0.442  1.00  0.00           H  
HETATM   54  H   UNL     1       2.316   1.611   0.118  1.00  0.00           H  
HETATM   55  H   UNL     1       2.509  -3.298  -0.737  1.00  0.00           H  
HETATM   56  H   UNL     1       4.518  -1.936  -0.775  1.00  0.00           H  
HETATM   57  H   UNL     1       4.689   1.564  -0.673  1.00  0.00           H  
HETATM   58  H   UNL     1       7.329   1.072  -1.118  1.00  0.00           H  
HETATM   59  H   UNL     1       7.082   1.781   0.496  1.00  0.00           H  
HETATM   60  H   UNL     1       8.111  -0.222   1.533  1.00  0.00           H  
HETATM   61  H   UNL     1       8.357  -0.932  -0.080  1.00  0.00           H  
HETATM   62  H   UNL     1      10.367  -0.043   2.126  1.00  0.00           H  
HETATM   63  H   UNL     1      10.809  -0.925   0.643  1.00  0.00           H  
HETATM   64  H   UNL     1      11.771   1.861   1.442  1.00  0.00           H  
HETATM   65  H   UNL     1      12.742   0.368   1.450  1.00  0.00           H  
HETATM   66  H   UNL     1      11.029   2.739  -0.738  1.00  0.00           H  
HETATM   67  H   UNL     1      11.499   1.840  -2.201  1.00  0.00           H  
HETATM   68  H   UNL     1      10.069  -0.048  -1.531  1.00  0.00           H  
HETATM   69  H   UNL     1       9.107   1.450  -1.577  1.00  0.00           H  
CONECT    1    2    6   37   38                                       
CONECT    2    1    3   39   40                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   41   42                                       
CONECT    5    4    6   43   44                                       
CONECT    6    1    5    7                                            
CONECT    7    6    8   45   46                                       
CONECT    8    7    9   47   48                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   49                                            
CONECT   12   11   13   13   14                                       
CONECT   13   12   12   18   50                                       
CONECT   14   12   15   15   51                                       
CONECT   15   14   14   16   52                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16   22   53                                       
CONECT   18   13   16   19   19                                       
CONECT   19   18   18   20                                            
CONECT   20   19   21   21   22                                       
CONECT   21   20   20   25   54                                       
CONECT   22   17   20   23   23                                       
CONECT   23   22   22   24   55                                       
CONECT   24   23   25   25   56                                       
CONECT   25   21   24   24   26                                       
CONECT   26   25   27   57                                            
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   58   59                                       
CONECT   30   29   31   60   61                                       
CONECT   31   30   32   36                                            
CONECT   32   31   33   62   63                                       
CONECT   33   32   34   64   65                                       
CONECT   34   33   35                                                 
CONECT   35   34   36   66   67                                       
CONECT   36   31   35   68   69                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49   11                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   17                                                      
CONECT   54   21                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   26                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   30                                                      
CONECT   61   30                                                      
CONECT   62   32                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
