COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.738  -1.084   0.628  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.652  -1.060  -0.228  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.091  -2.302  -0.869  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.573  -3.550  -0.134  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.099  -3.473  -0.001  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.441  -2.368   0.996  1.00  0.00           C  
HETATM    7  N   UNL     1      -8.206   0.030   1.165  1.00  0.00           N  
HETATM    8  C   UNL     1      -7.667   1.226   0.922  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.548   1.330   0.062  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.038   0.152  -0.529  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.947   0.202  -1.383  1.00  0.00           N  
HETATM   12  C   UNL     1      -5.984   2.586  -0.197  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.514   3.696   0.390  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.612   3.597   1.241  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.186   2.393   1.509  1.00  0.00           C  
HETATM   16  C   UNL     1       3.746   0.051  -0.534  1.00  0.00           C  
HETATM   17  C   UNL     1       2.497   0.033  -1.417  1.00  0.00           C  
HETATM   18  C   UNL     1       1.249   0.107  -0.535  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.001   0.089  -1.417  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.249   0.163  -0.535  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.499   0.146  -1.418  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.747   0.219  -0.536  1.00  0.00           C  
HETATM   23  C   UNL     1       7.842   0.941   0.663  1.00  0.00           C  
HETATM   24  C   UNL     1       6.760   1.043  -0.194  1.00  0.00           C  
HETATM   25  C   UNL     1       6.322   2.349  -0.803  1.00  0.00           C  
HETATM   26  C   UNL     1       6.920   3.526  -0.035  1.00  0.00           C  
HETATM   27  C   UNL     1       8.431   3.299   0.095  1.00  0.00           C  
HETATM   28  C   UNL     1       8.663   2.142   1.063  1.00  0.00           C  
HETATM   29  N   UNL     1       8.199  -0.227   1.171  1.00  0.00           N  
HETATM   30  C   UNL     1       7.549  -1.358   0.897  1.00  0.00           C  
HETATM   31  C   UNL     1       6.426  -1.332   0.035  1.00  0.00           C  
HETATM   32  C   UNL     1       6.033  -0.097  -0.525  1.00  0.00           C  
HETATM   33  N   UNL     1       4.945  -0.020  -1.381  1.00  0.00           N  
HETATM   34  C   UNL     1       5.745  -2.522  -0.257  1.00  0.00           C  
HETATM   35  C   UNL     1       6.165  -3.692   0.302  1.00  0.00           C  
HETATM   36  C   UNL     1       7.266  -3.721   1.155  1.00  0.00           C  
HETATM   37  C   UNL     1       7.952  -2.585   1.454  1.00  0.00           C  
HETATM   38  H   UNL     1      -6.417  -2.348  -1.908  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.002  -2.263  -0.836  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.299  -4.440  -0.701  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.120  -3.591   0.857  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.539  -3.241  -0.970  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.484  -4.426   0.362  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.518  -2.202   0.993  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.128  -2.675   1.994  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.985   1.096  -1.850  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.132   2.674  -0.855  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.077   4.664   0.192  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.015   4.491   1.694  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.038   2.334   2.171  1.00  0.00           H  
HETATM   51  H   UNL     1       3.767   0.972   0.048  1.00  0.00           H  
HETATM   52  H   UNL     1       3.727  -0.805   0.140  1.00  0.00           H  
HETATM   53  H   UNL     1       2.476  -0.888  -1.999  1.00  0.00           H  
HETATM   54  H   UNL     1       2.516   0.889  -2.091  1.00  0.00           H  
HETATM   55  H   UNL     1       1.269   1.028   0.048  1.00  0.00           H  
HETATM   56  H   UNL     1       1.229  -0.749   0.140  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.022  -0.832  -2.000  1.00  0.00           H  
HETATM   58  H   UNL     1       0.018   0.945  -2.092  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.269  -0.693   0.139  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.229   1.084   0.047  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.480   1.002  -2.092  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.520  -0.776  -2.000  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.767  -0.637   0.138  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.727   1.140   0.046  1.00  0.00           H  
HETATM   65  H   UNL     1       6.654   2.390  -1.840  1.00  0.00           H  
HETATM   66  H   UNL     1       5.235   2.414  -0.771  1.00  0.00           H  
HETATM   67  H   UNL     1       6.734   4.452  -0.580  1.00  0.00           H  
HETATM   68  H   UNL     1       6.471   3.585   0.956  1.00  0.00           H  
HETATM   69  H   UNL     1       8.850   3.051  -0.880  1.00  0.00           H  
HETATM   70  H   UNL     1       8.905   4.201   0.482  1.00  0.00           H  
HETATM   71  H   UNL     1       9.719   1.873   1.055  1.00  0.00           H  
HETATM   72  H   UNL     1       8.379   2.452   2.069  1.00  0.00           H  
HETATM   73  H   UNL     1       4.900  -0.900  -1.873  1.00  0.00           H  
HETATM   74  H   UNL     1       4.891  -2.511  -0.917  1.00  0.00           H  
HETATM   75  H   UNL     1       5.638  -4.608   0.080  1.00  0.00           H  
HETATM   76  H   UNL     1       7.580  -4.661   1.585  1.00  0.00           H  
HETATM   77  H   UNL     1       8.804  -2.625   2.117  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3   10                                       
CONECT    3    2    4   38   39                                       
CONECT    4    3    5   40   41                                       
CONECT    5    4    6   42   43                                       
CONECT    6    1    5   44   45                                       
CONECT    7    1    8    8                                            
CONECT    8    7    7    9   15                                       
CONECT    9    8   10   10   12                                       
CONECT   10    2    9    9   11                                       
CONECT   11   10   22   46                                            
CONECT   12    9   13   13   47                                       
CONECT   13   12   12   14   48                                       
CONECT   14   13   15   15   49                                       
CONECT   15    8   14   14   50                                       
CONECT   16   17   33   51   52                                       
CONECT   17   16   18   53   54                                       
CONECT   18   17   19   55   56                                       
CONECT   19   18   20   57   58                                       
CONECT   20   19   21   59   60                                       
CONECT   21   20   22   61   62                                       
CONECT   22   11   21   63   64                                       
CONECT   23   24   24   28   29                                       
CONECT   24   23   23   25   32                                       
CONECT   25   24   26   65   66                                       
CONECT   26   25   27   67   68                                       
CONECT   27   26   28   69   70                                       
CONECT   28   23   27   71   72                                       
CONECT   29   23   30   30                                            
CONECT   30   29   29   31   37                                       
CONECT   31   30   32   32   34                                       
CONECT   32   24   31   31   33                                       
CONECT   33   16   32   73                                            
CONECT   34   31   35   35   74                                       
CONECT   35   34   34   36   75                                       
CONECT   36   35   37   37   76                                       
CONECT   37   30   36   36   77                                       
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
