COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -7.405  -1.175   0.912  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.695  -1.393   0.384  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.745  -2.362   1.176  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.396  -2.478   0.915  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.717  -0.096   0.386  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.364  -0.197   0.126  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.248  -1.510   0.103  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.094  -1.035  -0.060  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.339  -2.339  -0.534  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.274  -3.113  -1.012  1.00  0.00           C  
HETATM   11  C   UNL     1       0.990  -2.607  -1.018  1.00  0.00           C  
HETATM   12  C   UNL     1       1.240  -1.311  -0.549  1.00  0.00           C  
HETATM   13  C   UNL     1       0.194  -0.528  -0.064  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.319  -0.533   0.336  1.00  0.00           N  
HETATM   15  N   UNL     1      -2.662  -2.566  -0.408  1.00  0.00           N  
HETATM   16  C   UNL     1       2.617  -0.775  -0.563  1.00  0.00           C  
HETATM   17  C   UNL     1       4.820  -0.632  -0.383  1.00  0.00           C  
HETATM   18  C   UNL     1       4.289   0.607  -0.785  1.00  0.00           C  
HETATM   19  C   UNL     1       5.149   1.688  -1.004  1.00  0.00           C  
HETATM   20  C   UNL     1       6.494   1.536  -0.826  1.00  0.00           C  
HETATM   21  C   UNL     1       7.024   0.310  -0.427  1.00  0.00           C  
HETATM   22  C   UNL     1       6.189  -0.774  -0.211  1.00  0.00           C  
HETATM   23  N   UNL     1       3.744  -1.488  -0.249  1.00  0.00           N  
HETATM   24  N   UNL     1       2.944   0.455  -0.877  1.00  0.00           N  
HETATM   25  N   UNL     1       8.403   0.173  -0.250  1.00  0.00           N  
HETATM   26  N   UNL     1      10.752   1.136   1.119  1.00  0.00           N1+
HETATM   27  C   UNL     1       8.623  -0.072   1.181  1.00  0.00           C  
HETATM   28  C   UNL     1      10.123  -0.146   1.467  1.00  0.00           C  
HETATM   29  C   UNL     1      10.507   1.428  -0.300  1.00  0.00           C  
HETATM   30  C   UNL     1       9.000   1.478  -0.558  1.00  0.00           C  
HETATM   31  C   UNL     1      12.198   1.054   1.360  1.00  0.00           C  
HETATM   32  I   UNL     1      -7.726   1.697  -0.009  1.00  0.00           I  
HETATM   33  H   UNL     1      -8.462  -1.090   1.118  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.289  -3.201   1.586  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.882  -3.405   1.120  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.828   0.646  -0.285  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.456  -4.114  -1.376  1.00  0.00           H  
HETATM   38  H   UNL     1       1.807  -3.209  -1.389  1.00  0.00           H  
HETATM   39  H   UNL     1       0.387   0.469   0.303  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.488   0.346   0.710  1.00  0.00           H  
HETATM   41  H   UNL     1       4.749   2.642  -1.313  1.00  0.00           H  
HETATM   42  H   UNL     1       7.154   2.374  -0.996  1.00  0.00           H  
HETATM   43  H   UNL     1       6.602  -1.725   0.092  1.00  0.00           H  
HETATM   44  H   UNL     1       3.780  -2.420   0.018  1.00  0.00           H  
HETATM   45  H   UNL     1      10.356   1.870   1.687  1.00  0.00           H  
HETATM   46  H   UNL     1       8.183   0.740   1.759  1.00  0.00           H  
HETATM   47  H   UNL     1       8.152  -1.014   1.463  1.00  0.00           H  
HETATM   48  H   UNL     1      10.568  -0.942   0.869  1.00  0.00           H  
HETATM   49  H   UNL     1      10.282  -0.354   2.525  1.00  0.00           H  
HETATM   50  H   UNL     1      10.951   2.391  -0.555  1.00  0.00           H  
HETATM   51  H   UNL     1      10.955   0.648  -0.915  1.00  0.00           H  
HETATM   52  H   UNL     1       8.549   2.242   0.075  1.00  0.00           H  
HETATM   53  H   UNL     1       8.819   1.722  -1.605  1.00  0.00           H  
HETATM   54  H   UNL     1      12.664   2.005   1.101  1.00  0.00           H  
HETATM   55  H   UNL     1      12.379   0.836   2.413  1.00  0.00           H  
HETATM   56  H   UNL     1      12.625   0.261   0.746  1.00  0.00           H  
CONECT    1    3    3    5   33                                       
CONECT    2    4    4    6    7                                       
CONECT    3    1    1    4   34                                       
CONECT    4    2    2    3   35                                       
CONECT    5    1    6    6   32                                       
CONECT    6    2    5    5   36                                       
CONECT    7    2   14   15   15                                       
CONECT    8    9    9   13   14                                       
CONECT    9    8    8   10   15                                       
CONECT   10    9   11   11   37                                       
CONECT   11   10   10   12   38                                       
CONECT   12   11   13   13   16                                       
CONECT   13    8   12   12   39                                       
CONECT   14    7    8   40                                            
CONECT   15    7    7    9                                            
CONECT   16   12   23   24   24                                       
CONECT   17   18   18   22   23                                       
CONECT   18   17   17   19   24                                       
CONECT   19   18   20   20   41                                       
CONECT   20   19   19   21   42                                       
CONECT   21   20   22   22   25                                       
CONECT   22   17   21   21   43                                       
CONECT   23   16   17   44                                            
CONECT   24   16   16   18                                            
CONECT   25   21   27   30                                            
CONECT   26   28   29   31   45                                       
CONECT   27   25   28   46   47                                       
CONECT   28   26   27   48   49                                       
CONECT   29   26   30   50   51                                       
CONECT   30   25   29   52   53                                       
CONECT   31   26   54   55   56                                       
CONECT   32    5                                                      
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    6                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
