COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -9.361  -6.537   0.163  1.00  0.00           N  
HETATM    2  C   UNL     1      -9.095  -5.436   0.079  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.760  -4.048  -0.027  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.499  -3.211  -0.868  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.174  -1.877  -0.968  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.696  -3.526   0.715  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.376  -2.191   0.610  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.111  -1.362  -0.232  1.00  0.00           C  
HETATM    9  N   UNL     1      -7.784  -0.011  -0.336  1.00  0.00           N  
HETATM   10  C   UNL     1      -6.462   0.391  -0.241  1.00  0.00           C  
HETATM   11  N   UNL     1      -6.184   1.686  -0.226  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.930   2.111  -0.137  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.644   3.464  -0.120  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.731   4.443  -0.202  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.147   5.857  -0.164  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.282   6.879  -0.249  1.00  0.00           C  
HETATM   17  N   UNL     1      -5.514  -0.532  -0.164  1.00  0.00           N  
HETATM   18  C   UNL     1      -4.238  -0.194  -0.073  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.893   1.158  -0.058  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.524   1.567   0.039  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.402   1.902   0.119  1.00  0.00           C  
HETATM   22  C   UNL     1       0.005   2.322   0.219  1.00  0.00           C  
HETATM   23  C   UNL     1       0.903   1.085   0.289  1.00  0.00           C  
HETATM   24  C   UNL     1       2.365   1.522   0.393  1.00  0.00           C  
HETATM   25  N   UNL     1       3.225   0.338   0.459  1.00  0.00           N  
HETATM   26  C   UNL     1       4.562   0.480   0.555  1.00  0.00           C  
HETATM   27  O   UNL     1       5.053   1.588   0.587  1.00  0.00           O  
HETATM   28  C   UNL     1       5.446  -0.738   0.623  1.00  0.00           C  
HETATM   29  C   UNL     1       5.074  -1.571   1.852  1.00  0.00           C  
HETATM   30  N   UNL     1       6.847  -0.320   0.723  1.00  0.00           N  
HETATM   31  C   UNL     1       7.287   0.501   1.854  1.00  0.00           C  
HETATM   32  C   UNL     1       7.730  -0.691  -0.225  1.00  0.00           C  
HETATM   33  O   UNL     1       7.364  -1.372  -1.164  1.00  0.00           O  
HETATM   34  C   UNL     1       9.136  -0.271  -0.125  1.00  0.00           C  
HETATM   35  C   UNL     1      10.008  -0.637  -1.061  1.00  0.00           C  
HETATM   36  C   UNL     1      11.448  -0.206  -0.958  1.00  0.00           C  
HETATM   37  N   UNL     1      12.318  -1.389  -1.012  1.00  0.00           N  
HETATM   38  C   UNL     1      13.727  -1.001  -1.153  1.00  0.00           C  
HETATM   39  C   UNL     1      12.122  -2.241   0.169  1.00  0.00           C  
HETATM   40  H   UNL     1     -10.323  -3.611  -1.440  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.744  -1.230  -1.617  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.126  -4.169   1.369  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.555  -1.787   1.183  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.483   0.648  -0.473  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.724   3.764  -0.055  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.279   4.300  -1.133  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.407   4.306   0.642  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.599   5.999   0.767  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.471   5.993  -1.008  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.866   7.886  -0.222  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.830   6.737  -1.181  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.958   6.742   0.595  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.474  -0.955  -0.011  1.00  0.00           H  
HETATM   54  H   UNL     1       0.270   2.915  -0.656  1.00  0.00           H  
HETATM   55  H   UNL     1       0.142   2.921   1.119  1.00  0.00           H  
HETATM   56  H   UNL     1       0.638   0.492   1.164  1.00  0.00           H  
HETATM   57  H   UNL     1       0.766   0.486  -0.612  1.00  0.00           H  
HETATM   58  H   UNL     1       2.631   2.115  -0.482  1.00  0.00           H  
HETATM   59  H   UNL     1       2.503   2.121   1.293  1.00  0.00           H  
HETATM   60  H   UNL     1       2.832  -0.549   0.434  1.00  0.00           H  
HETATM   61  H   UNL     1       5.310  -1.338  -0.277  1.00  0.00           H  
HETATM   62  H   UNL     1       5.714  -2.452   1.901  1.00  0.00           H  
HETATM   63  H   UNL     1       5.211  -0.972   2.752  1.00  0.00           H  
HETATM   64  H   UNL     1       4.032  -1.882   1.778  1.00  0.00           H  
HETATM   65  H   UNL     1       7.613  -0.147   2.668  1.00  0.00           H  
HETATM   66  H   UNL     1       8.117   1.135   1.541  1.00  0.00           H  
HETATM   67  H   UNL     1       6.461   1.124   2.194  1.00  0.00           H  
HETATM   68  H   UNL     1       9.461   0.334   0.709  1.00  0.00           H  
HETATM   69  H   UNL     1       9.683  -1.242  -1.894  1.00  0.00           H  
HETATM   70  H   UNL     1      11.689   0.459  -1.787  1.00  0.00           H  
HETATM   71  H   UNL     1      11.605   0.317  -0.015  1.00  0.00           H  
HETATM   72  H   UNL     1      14.023  -0.389  -0.301  1.00  0.00           H  
HETATM   73  H   UNL     1      14.349  -1.895  -1.191  1.00  0.00           H  
HETATM   74  H   UNL     1      13.856  -0.430  -2.073  1.00  0.00           H  
HETATM   75  H   UNL     1      11.084  -2.571   0.211  1.00  0.00           H  
HETATM   76  H   UNL     1      12.778  -3.109   0.104  1.00  0.00           H  
HETATM   77  H   UNL     1      12.359  -1.673   1.069  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    1    1    1    3                                       
CONECT    3    2    4    4    6                                       
CONECT    4    3    3    5   40                                       
CONECT    5    4    8    8   41                                       
CONECT    6    3    7    7   42                                       
CONECT    7    6    6    8   43                                       
CONECT    8    5    5    7    9                                       
CONECT    9    8   10   44                                            
CONECT   10   11    9   17   17                                       
CONECT   11   12   12   10                                            
CONECT   12   13   11   11   19                                       
CONECT   13   14   12   45                                            
CONECT   14   15   13   46   47                                       
CONECT   15   16   14   48   49                                       
CONECT   16   15   50   51   52                                       
CONECT   17   10   10   18                                            
CONECT   18   19   19   17   53                                       
CONECT   19   12   20   18   18                                       
CONECT   20   21   21   21   19                                       
CONECT   21   22   20   20   20                                       
CONECT   22   21   23   54   55                                       
CONECT   23   22   24   56   57                                       
CONECT   24   23   25   58   59                                       
CONECT   25   24   26   60                                            
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   29   30   61                                       
CONECT   29   28   62   63   64                                       
CONECT   30   31   28   32                                            
CONECT   31   30   65   66   67                                       
CONECT   32   30   34   33   33                                       
CONECT   33   32   32                                                 
CONECT   34   32   35   35   68                                       
CONECT   35   34   34   36   69                                       
CONECT   36   35   37   70   71                                       
CONECT   37   36   39   38                                            
CONECT   38   37   72   73   74                                       
CONECT   39   37   75   76   77                                       
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    9                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   18                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   31                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
