COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -8.574   2.922   1.464  1.00  0.00           O  
HETATM    2  C   UNL     1      -7.997   3.445   0.266  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.065   4.202  -0.526  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.857   4.400   0.625  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.452   2.295  -0.582  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.384   1.539   0.210  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.838   0.389  -0.639  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.770  -0.368   0.153  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.414  -1.034   1.371  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.137  -1.439  -0.738  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.446  -0.782  -1.961  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.960  -1.239  -1.921  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.022  -2.155   0.008  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.339  -1.172   0.961  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.362  -3.415   0.770  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.093  -3.865   1.512  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.937  -4.130   0.550  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.029  -2.543  -1.124  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.773  -2.974  -0.426  1.00  0.00           C  
HETATM   20  C   UNL     1       0.403  -2.386  -0.646  1.00  0.00           C  
HETATM   21  C   UNL     1       1.597  -2.850   0.064  1.00  0.00           C  
HETATM   22  C   UNL     1       2.787  -2.255  -0.158  1.00  0.00           C  
HETATM   23  C   UNL     1       4.047  -2.709   0.552  1.00  0.00           C  
HETATM   24  C   UNL     1       2.927  -1.133  -1.110  1.00  0.00           C  
HETATM   25  C   UNL     1       2.327  -1.147  -2.299  1.00  0.00           C  
HETATM   26  C   UNL     1       3.786   0.035  -0.667  1.00  0.00           C  
HETATM   27  O   UNL     1       3.093   0.792   0.328  1.00  0.00           O  
HETATM   28  C   UNL     1       5.088  -0.518  -0.080  1.00  0.00           C  
HETATM   29  C   UNL     1       4.777  -1.469   1.080  1.00  0.00           C  
HETATM   30  O   UNL     1       5.997  -1.868   1.709  1.00  0.00           O  
HETATM   31  C   UNL     1       5.950   0.640   0.427  1.00  0.00           C  
HETATM   32  C   UNL     1       6.376   1.514  -0.755  1.00  0.00           C  
HETATM   33  N   UNL     1       7.201   2.623  -0.269  1.00  0.00           N  
HETATM   34  N   UNL     1       6.760   3.774   0.107  1.00  0.00           N  
HETATM   35  C   UNL     1       7.788   4.500   0.473  1.00  0.00           C  
HETATM   36  N   UNL     1       8.874   3.745   0.305  1.00  0.00           N  
HETATM   37  N   UNL     1       8.483   2.601  -0.145  1.00  0.00           N  
HETATM   38  H   UNL     1      -9.306   2.307   1.312  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.878   3.522  -0.781  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.454   5.021   0.079  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.625   4.602  -1.440  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.245   5.220   1.230  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.096   3.861   1.189  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.416   4.800  -0.289  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.264   1.615  -0.838  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.011   2.695  -1.496  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.571   2.219   0.465  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.824   1.139   1.123  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.651  -0.292  -0.894  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.398   0.788  -1.553  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.001   0.330   0.485  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.865  -0.271   2.006  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.183  -1.732   1.039  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.653  -1.573   1.936  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.893  -2.151  -1.067  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.917  -1.120  -2.884  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.506   0.304  -1.887  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.584  -1.421  -2.928  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.343  -0.501  -1.407  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.153  -0.232   0.442  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.984  -0.991   1.821  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.392  -1.592   1.300  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.158  -3.211   1.486  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.681  -4.192   0.075  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.798  -3.087   2.216  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.311  -4.779   2.066  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.016  -4.252   1.120  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.137  -5.045  -0.008  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.434  -3.349  -1.737  1.00  0.00           H  
HETATM   70  H   UNL     1       0.475  -1.568  -1.347  1.00  0.00           H  
HETATM   71  H   UNL     1       1.525  -3.668   0.766  1.00  0.00           H  
HETATM   72  H   UNL     1       3.785  -3.362   1.384  1.00  0.00           H  
HETATM   73  H   UNL     1       4.690  -3.244  -0.147  1.00  0.00           H  
HETATM   74  H   UNL     1       1.720  -1.993  -2.588  1.00  0.00           H  
HETATM   75  H   UNL     1       2.447  -0.313  -2.975  1.00  0.00           H  
HETATM   76  H   UNL     1       4.009   0.672  -1.523  1.00  0.00           H  
HETATM   77  H   UNL     1       2.250   1.158   0.028  1.00  0.00           H  
HETATM   78  H   UNL     1       5.631  -1.062  -0.853  1.00  0.00           H  
HETATM   79  H   UNL     1       4.146  -0.959   1.806  1.00  0.00           H  
HETATM   80  H   UNL     1       5.875  -2.468   2.457  1.00  0.00           H  
HETATM   81  H   UNL     1       5.375   1.239   1.133  1.00  0.00           H  
HETATM   82  H   UNL     1       6.836   0.243   0.923  1.00  0.00           H  
HETATM   83  H   UNL     1       6.951   0.915  -1.461  1.00  0.00           H  
HETATM   84  H   UNL     1       5.491   1.910  -1.251  1.00  0.00           H  
HETATM   85  H   UNL     1       7.760   5.515   0.840  1.00  0.00           H  
CONECT    1    2   38                                                 
CONECT    2    4    3    5    1                                       
CONECT    3    2   39   40   41                                       
CONECT    4    2   42   43   44                                       
CONECT    5    2    6   45   46                                       
CONECT    6    5    7   47   48                                       
CONECT    7    6    8   49   50                                       
CONECT    8   10    7    9   51                                       
CONECT    9    8   52   53   54                                       
CONECT   10   13    8   11   55                                       
CONECT   11   10   12   56   57                                       
CONECT   12   18   11   58   59                                       
CONECT   13   15   14   18   10                                       
CONECT   14   13   60   61   62                                       
CONECT   15   16   13   63   64                                       
CONECT   16   17   15   65   66                                       
CONECT   17   16   19   67   68                                       
CONECT   18   19   13   12   69                                       
CONECT   19   17   20   20   18                                       
CONECT   20   21   19   19   70                                       
CONECT   21   22   22   20   71                                       
CONECT   22   23   21   21   24                                       
CONECT   23   29   22   72   73                                       
CONECT   24   22   25   25   26                                       
CONECT   25   24   24   74   75                                       
CONECT   26   28   24   27   76                                       
CONECT   27   26   77                                                 
CONECT   28   31   29   26   78                                       
CONECT   29   23   28   30   79                                       
CONECT   30   29   80                                                 
CONECT   31   32   28   81   82                                       
CONECT   32   31   33   83   84                                       
CONECT   33   34   32   37                                            
CONECT   34   35   35   33                                            
CONECT   35   34   34   36   85                                       
CONECT   36   35   37   37                                            
CONECT   37   33   36   36                                            
CONECT   38    1                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   35                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
