COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.720   1.897  -0.192  1.00  0.00           C  
HETATM    2  C   UNL     1       6.756   2.713   0.242  1.00  0.00           C  
HETATM    3  C   UNL     1       6.537   4.064   0.427  1.00  0.00           C  
HETATM    4  N   UNL     1       7.121  -0.067  -0.843  1.00  0.00           N  
HETATM    5  C   UNL     1       6.945  -1.363  -0.886  1.00  0.00           C  
HETATM    6  C   UNL     1       5.647  -1.649  -0.453  1.00  0.00           C  
HETATM    7  N   UNL     1       3.739  -0.311   0.327  1.00  0.00           N  
HETATM    8  C   UNL     1       5.040  -0.470  -0.144  1.00  0.00           C  
HETATM    9  C   UNL     1       2.954  -1.391   0.516  1.00  0.00           C  
HETATM   10  C   UNL     1       1.573  -1.222   1.015  1.00  0.00           C  
HETATM   11  C   UNL     1       1.077   0.054   1.287  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.336  -0.581   1.325  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.213   0.204   1.752  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.014  -0.907   1.951  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.422  -0.735   2.460  1.00  0.00           C  
HETATM   16  N   UNL     1      -6.307  -0.101  -1.667  1.00  0.00           N  
HETATM   17  O   UNL     1      -5.088  -0.388   2.678  1.00  0.00           O  
HETATM   18  C   UNL     1      -4.656  -0.413   1.541  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.571  -0.259   0.404  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.951  -0.078   0.470  1.00  0.00           C  
HETATM   21  N   UNL     1      -7.716  -0.009   1.617  1.00  0.00           N  
HETATM   22  N   UNL     1      -7.400   0.019  -0.801  1.00  0.00           N  
HETATM   23  C   UNL     1      -8.734   0.207  -1.187  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.033   0.975  -2.305  1.00  0.00           C  
HETATM   25  C   UNL     1     -10.349   1.158  -2.682  1.00  0.00           C  
HETATM   26  C   UNL     1     -11.368   0.579  -1.949  1.00  0.00           C  
HETATM   27  C   UNL     1     -11.073  -0.186  -0.835  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.759  -0.379  -0.456  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.220  -0.265  -0.967  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.528  -2.174   1.684  1.00  0.00           C  
HETATM   31  C   UNL     1       0.758  -2.338   1.212  1.00  0.00           C  
HETATM   32  O   UNL     1       3.382  -2.503   0.275  1.00  0.00           O  
HETATM   33  C   UNL     1       7.969  -2.376  -1.328  1.00  0.00           C  
HETATM   34  C   UNL     1       7.985  -3.548  -0.344  1.00  0.00           C  
HETATM   35  C   UNL     1       7.611  -2.888  -2.724  1.00  0.00           C  
HETATM   36  C   UNL     1       9.352  -1.722  -1.364  1.00  0.00           C  
HETATM   37  N   UNL     1       5.939   0.525  -0.380  1.00  0.00           N  
HETATM   38  C   UNL     1       4.466   2.441  -0.435  1.00  0.00           C  
HETATM   39  C   UNL     1       4.254   3.793  -0.248  1.00  0.00           C  
HETATM   40  C   UNL     1       5.289   4.604   0.180  1.00  0.00           C  
HETATM   41  C   UNL     1       5.053   6.079   0.382  1.00  0.00           C  
HETATM   42  H   UNL     1       7.731   2.292   0.436  1.00  0.00           H  
HETATM   43  H   UNL     1       7.343   4.700   0.765  1.00  0.00           H  
HETATM   44  H   UNL     1       5.204  -2.631  -0.377  1.00  0.00           H  
HETATM   45  H   UNL     1       3.397   0.576   0.518  1.00  0.00           H  
HETATM   46  H   UNL     1       1.701   0.922   1.133  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.992  -0.601   0.419  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.599   1.191   1.963  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.475   0.152   3.091  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.708  -1.612   3.040  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.294  -0.090   2.486  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.675   0.120   1.553  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.238   1.428  -2.878  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.582   1.755  -3.552  1.00  0.00           H  
HETATM   55  H   UNL     1     -12.396   0.725  -2.246  1.00  0.00           H  
HETATM   56  H   UNL     1     -11.871  -0.637  -0.264  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.529  -0.976   0.414  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.223  -0.386  -1.364  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.158  -3.037   1.841  1.00  0.00           H  
HETATM   60  H   UNL     1       1.134  -3.328   1.000  1.00  0.00           H  
HETATM   61  H   UNL     1       7.000  -4.014  -0.318  1.00  0.00           H  
HETATM   62  H   UNL     1       8.726  -4.281  -0.664  1.00  0.00           H  
HETATM   63  H   UNL     1       8.241  -3.183   0.651  1.00  0.00           H  
HETATM   64  H   UNL     1       7.599  -2.053  -3.425  1.00  0.00           H  
HETATM   65  H   UNL     1       8.351  -3.621  -3.044  1.00  0.00           H  
HETATM   66  H   UNL     1       6.626  -3.354  -2.699  1.00  0.00           H  
HETATM   67  H   UNL     1       9.607  -1.357  -0.369  1.00  0.00           H  
HETATM   68  H   UNL     1      10.092  -2.455  -1.684  1.00  0.00           H  
HETATM   69  H   UNL     1       9.340  -0.887  -2.065  1.00  0.00           H  
HETATM   70  H   UNL     1       3.658   1.808  -0.769  1.00  0.00           H  
HETATM   71  H   UNL     1       3.279   4.217  -0.437  1.00  0.00           H  
HETATM   72  H   UNL     1       5.267   6.612  -0.544  1.00  0.00           H  
HETATM   73  H   UNL     1       4.014   6.245   0.666  1.00  0.00           H  
HETATM   74  H   UNL     1       5.709   6.446   1.172  1.00  0.00           H  
CONECT    1    2    2   38   37                                       
CONECT    2    3    1    1   42                                       
CONECT    3   40   40    2   43                                       
CONECT    4   37    5    5                                            
CONECT    5    4    4   33    6                                       
CONECT    6    8    8    5   44                                       
CONECT    7    8    9   45                                            
CONECT    8   37    7    6    6                                       
CONECT    9    7   10   32   32                                       
CONECT   10    9   11   11   31                                       
CONECT   11   10   10   13   46                                       
CONECT   12   15   18   47                                            
CONECT   13   11   14   14   48                                       
CONECT   14   13   13   30   15                                       
CONECT   15   14   12   49   50                                       
CONECT   16   22   29   29                                            
CONECT   17   18   18                                                 
CONECT   18   17   17   12   19                                       
CONECT   19   18   20   20   29                                       
CONECT   20   21   19   19   22                                       
CONECT   21   20   51   52                                            
CONECT   22   20   23   16                                            
CONECT   23   28   22   24   24                                       
CONECT   24   23   23   25   53                                       
CONECT   25   26   26   24   54                                       
CONECT   26   27   25   25   55                                       
CONECT   27   28   28   26   56                                       
CONECT   28   27   27   23   57                                       
CONECT   29   19   16   16   58                                       
CONECT   30   31   31   14   59                                       
CONECT   31   10   30   30   60                                       
CONECT   32    9    9                                                 
CONECT   33   34    5   35   36                                       
CONECT   34   33   61   62   63                                       
CONECT   35   33   64   65   66                                       
CONECT   36   33   67   68   69                                       
CONECT   37    1    4    8                                            
CONECT   38   39   39    1   70                                       
CONECT   39   40   38   38   71                                       
CONECT   40   41    3    3   39                                       
CONECT   41   40   72   73   74                                       
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   31                                                      
CONECT   61   34                                                      
CONECT   62   34                                                      
CONECT   63   34                                                      
CONECT   64   35                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
CONECT   70   38                                                      
CONECT   71   39                                                      
CONECT   72   41                                                      
CONECT   73   41                                                      
CONECT   74   41                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
