COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.139   4.058  -0.199  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.982  -1.336  -1.125  1.00  0.00           C  
HETATM    3  C   UNL     1       1.798  -0.761   2.988  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.175   4.346  -0.752  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.751  -3.276  -1.790  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.908   4.874  -0.577  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.899  -2.497  -1.841  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.671  -2.887  -1.027  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.401   2.997  -0.562  1.00  0.00           C  
HETATM   10  C   UNL     1       0.897   0.956   1.492  1.00  0.00           C  
HETATM   11  C   UNL     1       3.152   0.154   1.164  1.00  0.00           C  
HETATM   12  C   UNL     1       2.246   1.851  -0.296  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.417   0.082   1.029  1.00  0.00           C  
HETATM   14  C   UNL     1       1.950   0.124   1.872  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.902  -0.926  -0.341  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.077   2.698   0.001  1.00  0.00           C  
HETATM   17  C   UNL     1       1.046   1.817   0.408  1.00  0.00           C  
HETATM   18  C   UNL     1       3.299   1.015   0.079  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.655   0.226   0.529  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.734  -1.709  -0.290  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.358   2.165  -0.182  1.00  0.00           C  
HETATM   22  C   UNL     1       4.572   1.048  -0.672  1.00  0.00           C  
HETATM   23  C   UNL     1      12.374  -2.382  -0.539  1.00  0.00           C  
HETATM   24  C   UNL     1      11.946  -1.932   0.873  1.00  0.00           C  
HETATM   25  C   UNL     1      11.290  -1.821  -1.484  1.00  0.00           C  
HETATM   26  C   UNL     1      10.639  -1.138   0.662  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.082   0.167  -1.212  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.514   0.581   1.133  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.242  -1.336  -0.976  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.675  -0.923   1.369  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.608   1.359   0.809  1.00  0.00           C  
HETATM   32  C   UNL     1       7.833  -0.723  -0.435  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.506  -1.545   0.879  1.00  0.00           C  
HETATM   34  C   UNL     1       9.151  -0.689  -1.212  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.519  -1.078  -0.193  1.00  0.00           C  
HETATM   36  C   UNL     1       6.852   0.277  -1.051  1.00  0.00           C  
HETATM   37  N   UNL     1       1.677  -1.462   3.873  1.00  0.00           N  
HETATM   38  N   UNL     1      -6.850  -1.066   0.547  1.00  0.00           N  
HETATM   39  N   UNL     1      -1.585   0.803   0.016  1.00  0.00           N  
HETATM   40  N   UNL     1      10.093  -1.649  -0.621  1.00  0.00           N  
HETATM   41  N   UNL     1      -3.171  -1.558   0.140  1.00  0.00           N  
HETATM   42  N   UNL     1       5.591   0.245  -0.307  1.00  0.00           N  
HETATM   43  O   UNL     1       4.700   1.799  -1.619  1.00  0.00           O  
HETATM   44  H   UNL     1       1.127   4.475  -0.063  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.878  -0.734  -1.170  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.990   4.991  -1.048  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.700  -4.191  -2.361  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.738   5.929  -0.735  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.733  -2.811  -2.451  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.783  -3.500  -0.994  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.391   2.589  -0.709  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.035   0.930   2.037  1.00  0.00           H  
HETATM   53  H   UNL     1       3.966  -0.493   1.455  1.00  0.00           H  
HETATM   54  H   UNL     1       2.360   2.518  -1.137  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.939   0.772   1.709  1.00  0.00           H  
HETATM   56  H   UNL     1      13.348  -1.964  -0.790  1.00  0.00           H  
HETATM   57  H   UNL     1      12.403  -3.470  -0.597  1.00  0.00           H  
HETATM   58  H   UNL     1      11.763  -2.800   1.507  1.00  0.00           H  
HETATM   59  H   UNL     1      12.711  -1.295   1.316  1.00  0.00           H  
HETATM   60  H   UNL     1      11.603  -0.862  -1.895  1.00  0.00           H  
HETATM   61  H   UNL     1      11.083  -2.528  -2.288  1.00  0.00           H  
HETATM   62  H   UNL     1       9.941  -1.331   1.477  1.00  0.00           H  
HETATM   63  H   UNL     1      10.850  -0.071   0.589  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.371   0.335  -2.021  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.046   0.599  -1.481  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.484   1.017   0.892  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.119   1.050   2.034  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.638  -1.806  -1.877  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.273  -1.772  -0.735  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.710  -1.354   1.637  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.385  -1.090   2.178  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.455   2.153   0.078  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.634   0.996   0.741  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.426   1.748   1.811  1.00  0.00           H  
HETATM   75  H   UNL     1       7.409  -1.726  -0.484  1.00  0.00           H  
HETATM   76  H   UNL     1       8.018  -0.457   0.605  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.508  -2.634   0.922  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.207  -1.144   1.848  1.00  0.00           H  
HETATM   79  H   UNL     1       8.966  -0.955  -2.253  1.00  0.00           H  
HETATM   80  H   UNL     1       9.576   0.313  -1.164  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.818  -1.479  -1.161  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.517   0.011  -0.235  1.00  0.00           H  
HETATM   83  H   UNL     1       7.277   1.280  -1.002  1.00  0.00           H  
HETATM   84  H   UNL     1       6.668   0.011  -2.092  1.00  0.00           H  
HETATM   85  H   UNL     1       5.489  -0.355   0.449  1.00  0.00           H  
CONECT    1   16   16    6   44                                       
CONECT    2   15   15    7   45                                       
CONECT    3   37   37   37   14                                       
CONECT    4    6    6    9   46                                       
CONECT    5    8    7    7   47                                       
CONECT    6    1    4    4   48                                       
CONECT    7    5    5    2   49                                       
CONECT    8   20   20    5   50                                       
CONECT    9   21   21    4   51                                       
CONECT   10   14   14   17   52                                       
CONECT   11   18   18   14   53                                       
CONECT   12   18   17   17   54                                       
CONECT   13   38   19   19   55                                       
CONECT   14   11    3   10   10                                       
CONECT   15   20   19    2    2                                       
CONECT   16   17    1    1   21                                       
CONECT   17   12   12   10   16                                       
CONECT   18   11   11   22   12                                       
CONECT   19   13   13   15   31                                       
CONECT   20   38    8    8   15                                       
CONECT   21   16   39    9    9                                       
CONECT   22   42   43   43   18                                       
CONECT   23   25   24   56   57                                       
CONECT   24   26   23   58   59                                       
CONECT   25   40   23   60   61                                       
CONECT   26   40   24   62   63                                       
CONECT   27   29   39   64   65                                       
CONECT   28   39   30   66   67                                       
CONECT   29   27   41   68   69                                       
CONECT   30   41   28   70   71                                       
CONECT   31   19   72   73   74                                       
CONECT   32   36   34   75   76                                       
CONECT   33   35   38   77   78                                       
CONECT   34   32   40   79   80                                       
CONECT   35   41   33   81   82                                       
CONECT   36   42   32   83   84                                       
CONECT   37    3    3    3                                            
CONECT   38   33   13   20                                            
CONECT   39   27   21   28                                            
CONECT   40   34   25   26                                            
CONECT   41   29   30   35                                            
CONECT   42   36   22   85                                            
CONECT   43   22   22                                                 
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   36                                                      
CONECT   85   42                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
