COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.701   1.064  -1.064  1.00  0.00           C  
HETATM    2  C   UNL     1       7.121  -1.778  -0.471  1.00  0.00           C  
HETATM    3  C   UNL     1       6.408  -1.557   1.833  1.00  0.00           C  
HETATM    4  C   UNL     1       8.319  -2.937   1.286  1.00  0.00           C  
HETATM    5  C   UNL     1       7.396   0.531  -1.398  1.00  0.00           C  
HETATM    6  C   UNL     1       6.886   1.763  -1.762  1.00  0.00           C  
HETATM    7  C   UNL     1       7.914   4.141  -1.586  1.00  0.00           C  
HETATM    8  C   UNL     1       5.541   2.033  -1.597  1.00  0.00           C  
HETATM    9  C   UNL     1       0.480  -1.733  -1.510  1.00  0.00           C  
HETATM   10  C   UNL     1       0.060  -0.400  -0.946  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.283  -0.156  -0.656  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.670   1.083  -0.135  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.720   2.066   0.094  1.00  0.00           C  
HETATM   14  C   UNL     1       0.615   1.824  -0.191  1.00  0.00           C  
HETATM   15  C   UNL     1       1.013   0.589  -0.708  1.00  0.00           C  
HETATM   16  C   UNL     1       2.438   0.333  -1.006  1.00  0.00           C  
HETATM   17  N   UNL     1       3.338   1.331  -0.901  1.00  0.00           N  
HETATM   18  C   UNL     1       5.216  -0.174  -0.699  1.00  0.00           C  
HETATM   19  C   UNL     1       6.561  -0.436  -0.867  1.00  0.00           C  
HETATM   20  N   UNL     1       7.555  -1.733   0.932  1.00  0.00           N  
HETATM   21  C   UNL     1       6.908  -1.435   3.274  1.00  0.00           C  
HETATM   22  N   UNL     1       7.672  -2.639   3.628  1.00  0.00           N  
HETATM   23  C   UNL     1       6.811  -3.829   3.622  1.00  0.00           C  
HETATM   24  C   UNL     1       8.819  -2.816   2.727  1.00  0.00           C  
HETATM   25  C   UNL     1       7.799   2.814  -2.339  1.00  0.00           C  
HETATM   26  C   UNL     1       7.150   4.077  -2.910  1.00  0.00           C  
HETATM   27  O   UNL     1       2.799  -0.777  -1.346  1.00  0.00           O  
HETATM   28  O   UNL     1      -1.102   3.269   0.601  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.247   3.270   1.457  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.206   4.383   1.031  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.322   4.517   2.070  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.681   4.407   1.377  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.499   3.294   2.034  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.764   3.040   1.210  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.355   1.684   1.598  1.00  0.00           C  
HETATM   36  N   UNL     1      -7.589   0.614   0.928  1.00  0.00           N  
HETATM   37  C   UNL     1      -8.305  -0.473   0.534  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.628  -1.605  -0.135  1.00  0.00           C  
HETATM   39  N   UNL     1      -6.333  -1.562  -0.341  1.00  0.00           N  
HETATM   40  N   UNL     1      -5.696  -2.518  -0.915  1.00  0.00           N  
HETATM   41  C   UNL     1      -6.349  -3.647  -1.349  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.742  -3.758  -1.160  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.387  -2.724  -0.547  1.00  0.00           C  
HETATM   44  N   UNL     1      -5.462  -4.465  -1.901  1.00  0.00           N  
HETATM   45  C   UNL     1      -4.254  -3.918  -1.846  1.00  0.00           C  
HETATM   46  C   UNL     1      -4.365  -2.685  -1.227  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.293  -1.768  -0.965  1.00  0.00           C  
HETATM   48  C   UNL     1      -2.276  -1.168  -0.889  1.00  0.00           C  
HETATM   49  O   UNL     1      -9.504  -0.515   0.732  1.00  0.00           O  
HETATM   50  H   UNL     1       6.353  -2.542  -0.589  1.00  0.00           H  
HETATM   51  H   UNL     1       7.973  -2.019  -1.107  1.00  0.00           H  
HETATM   52  H   UNL     1       5.865  -0.652   1.558  1.00  0.00           H  
HETATM   53  H   UNL     1       5.744  -2.418   1.750  1.00  0.00           H  
HETATM   54  H   UNL     1       7.678  -3.814   1.196  1.00  0.00           H  
HETATM   55  H   UNL     1       9.170  -3.039   0.613  1.00  0.00           H  
HETATM   56  H   UNL     1       8.447   0.323  -1.528  1.00  0.00           H  
HETATM   57  H   UNL     1       7.330   4.253  -0.672  1.00  0.00           H  
HETATM   58  H   UNL     1       8.884   4.638  -1.588  1.00  0.00           H  
HETATM   59  H   UNL     1       5.144   2.996  -1.882  1.00  0.00           H  
HETATM   60  H   UNL     1       0.843  -2.370  -0.703  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.373  -2.208  -1.993  1.00  0.00           H  
HETATM   62  H   UNL     1       1.275  -1.584  -2.241  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.709   1.274   0.088  1.00  0.00           H  
HETATM   64  H   UNL     1       1.351   2.593  -0.007  1.00  0.00           H  
HETATM   65  H   UNL     1       3.040   2.235  -0.712  1.00  0.00           H  
HETATM   66  H   UNL     1       4.565  -0.929  -0.284  1.00  0.00           H  
HETATM   67  H   UNL     1       7.549  -0.558   3.363  1.00  0.00           H  
HETATM   68  H   UNL     1       6.057  -1.333   3.947  1.00  0.00           H  
HETATM   69  H   UNL     1       6.385  -3.965   2.628  1.00  0.00           H  
HETATM   70  H   UNL     1       7.401  -4.706   3.888  1.00  0.00           H  
HETATM   71  H   UNL     1       6.007  -3.700   4.347  1.00  0.00           H  
HETATM   72  H   UNL     1       9.362  -3.720   3.002  1.00  0.00           H  
HETATM   73  H   UNL     1       9.483  -1.954   2.810  1.00  0.00           H  
HETATM   74  H   UNL     1       8.693   2.439  -2.837  1.00  0.00           H  
HETATM   75  H   UNL     1       6.063   4.148  -2.867  1.00  0.00           H  
HETATM   76  H   UNL     1       7.617   4.533  -3.783  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.754   2.307   1.385  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.931   3.437   2.486  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.662   5.325   0.959  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.640   4.139   0.061  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.226   3.722   2.810  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.243   5.485   2.565  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.214   5.353   1.471  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.534   4.176   0.322  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.904   2.382   2.078  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.778   3.595   3.045  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.492   3.826   1.409  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.512   3.038   0.149  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.292   1.555   2.679  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.398   1.638   1.286  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.633   0.682   0.777  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.281  -4.633  -1.491  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.453  -2.760  -0.379  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.342  -4.360  -2.220  1.00  0.00           H  
CONECT    1   17    8    8   18                                       
CONECT    2   19   20   50   51                                       
CONECT    3   20   21   52   53                                       
CONECT    4   20   24   54   55                                       
CONECT    5    6    6   19   56                                       
CONECT    6    8   25    5    5                                       
CONECT    7   25   26   57   58                                       
CONECT    8    1    1    6   59                                       
CONECT    9   10   60   61   62                                       
CONECT   10   11    9   15   15                                       
CONECT   11   48   12   12   10                                       
CONECT   12   11   11   13   63                                       
CONECT   13   12   28   14   14                                       
CONECT   14   13   13   15   64                                       
CONECT   15   10   10   14   16                                       
CONECT   16   15   27   27   17                                       
CONECT   17   16    1   65                                            
CONECT   18    1   19   19   66                                       
CONECT   19   18   18    5    2                                       
CONECT   20    4    2    3                                            
CONECT   21   22    3   67   68                                       
CONECT   22   24   23   21                                            
CONECT   23   22   69   70   71                                       
CONECT   24    4   22   72   73                                       
CONECT   25    6    7   26   74                                       
CONECT   26   25    7   75   76                                       
CONECT   27   16   16                                                 
CONECT   28   29   13                                                 
CONECT   29   30   28   77   78                                       
CONECT   30   31   29   79   80                                       
CONECT   31   32   30   81   82                                       
CONECT   32   33   31   83   84                                       
CONECT   33   34   32   85   86                                       
CONECT   34   35   33   87   88                                       
CONECT   35   36   34   89   90                                       
CONECT   36   37   35   91                                            
CONECT   37   49   49   38   36                                       
CONECT   38   43   37   39   39                                       
CONECT   39   38   38   40                                            
CONECT   40   41   39   46                                            
CONECT   41   42   44   44   40                                       
CONECT   42   43   43   41   92                                       
CONECT   43   42   42   38   93                                       
CONECT   44   41   41   45                                            
CONECT   45   44   46   46   94                                       
CONECT   46   40   45   45   47                                       
CONECT   47   46   48   48   48                                       
CONECT   48   47   47   47   11                                       
CONECT   49   37   37                                                 
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63   12                                                      
CONECT   64   14                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   33                                                      
CONECT   87   34                                                      
CONECT   88   34                                                      
CONECT   89   35                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   42                                                      
CONECT   93   43                                                      
CONECT   94   45                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
