COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.983   1.076   3.231  1.00  0.00           O  
HETATM    2  C   UNL     1      -7.431   0.580   2.218  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.922   0.465   2.031  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.595   0.138   1.258  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.145   0.255   1.438  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.631  -0.945   2.234  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.770  -2.214   1.391  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.159  -0.728   2.590  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.473   0.289   0.089  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.096  -0.016  -0.906  1.00  0.00           O  
HETATM   11  N   UNL     1      -3.181   0.658  -0.011  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.512   0.638  -1.314  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.251   2.074  -1.775  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.565   2.773  -2.011  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.161   2.721  -3.258  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.366   3.362  -3.475  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.976   4.054  -2.445  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.381   4.105  -1.199  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.178   3.460  -0.980  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.183  -0.109  -1.194  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.453  -1.594  -0.948  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.096  -1.759   0.317  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.128  -2.361  -0.950  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.398  -3.846  -0.705  1.00  0.00           C  
HETATM   25  C   UNL     1       0.890  -4.619  -0.829  1.00  0.00           C  
HETATM   26  C   UNL     1       1.687  -4.817   0.283  1.00  0.00           C  
HETATM   27  C   UNL     1       2.868  -5.525   0.169  1.00  0.00           C  
HETATM   28  C   UNL     1       3.253  -6.035  -1.056  1.00  0.00           C  
HETATM   29  C   UNL     1       2.456  -5.838  -2.168  1.00  0.00           C  
HETATM   30  C   UNL     1       1.272  -5.133  -2.053  1.00  0.00           C  
HETATM   31  N   UNL     1       0.739  -1.840   0.109  1.00  0.00           N  
HETATM   32  C   UNL     1       2.077  -1.968   0.009  1.00  0.00           C  
HETATM   33  O   UNL     1       2.563  -2.513  -0.959  1.00  0.00           O  
HETATM   34  C   UNL     1       2.969  -1.432   1.099  1.00  0.00           C  
HETATM   35  C   UNL     1       2.937   0.108   1.115  1.00  0.00           C  
HETATM   36  O   UNL     1       4.363  -1.753   0.822  1.00  0.00           O  
HETATM   37  C   UNL     1       5.064  -0.621   0.691  1.00  0.00           C  
HETATM   38  O   UNL     1       6.256  -0.602   0.456  1.00  0.00           O  
HETATM   39  N   UNL     1       4.331   0.491   0.843  1.00  0.00           N  
HETATM   40  C   UNL     1       4.813   1.802   0.756  1.00  0.00           C  
HETATM   41  C   UNL     1       3.946   2.874   0.933  1.00  0.00           C  
HETATM   42  C   UNL     1       4.416   4.172   0.849  1.00  0.00           C  
HETATM   43  C   UNL     1       5.749   4.413   0.587  1.00  0.00           C  
HETATM   44  C   UNL     1       6.155   2.030   0.499  1.00  0.00           C  
HETATM   45  C   UNL     1       6.630   3.342   0.407  1.00  0.00           C  
HETATM   46  C   UNL     1       8.053   3.594   0.128  1.00  0.00           C  
HETATM   47  O   UNL     1       8.815   2.664  -0.028  1.00  0.00           O  
HETATM   48  C   UNL     1       8.563   5.009   0.035  1.00  0.00           C  
HETATM   49  H   UNL     1      -9.297   1.362   1.540  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.144  -0.407   1.415  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.402   0.355   3.003  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.952  -0.259   0.449  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.920   1.174   1.979  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.214  -1.051   3.149  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.187  -2.108   0.476  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.403  -3.070   1.959  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.819  -2.369   1.138  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.726  -1.667   2.936  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.619  -0.383   1.709  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.082   0.020   3.379  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.694   0.937   0.780  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.148   0.133  -2.041  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.690   2.606  -1.006  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.676   2.059  -2.700  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.684   2.180  -4.062  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.832   3.322  -4.449  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.918   4.555  -2.615  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.857   4.646  -0.394  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.714   3.497  -0.006  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.615   0.010  -2.116  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.611   0.299  -0.360  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.098  -1.982  -1.737  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.557  -1.484   1.071  1.00  0.00           H  
HETATM   74  H   UNL     1       0.362  -2.235  -1.916  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.808  -3.981   0.297  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.114  -4.212  -1.441  1.00  0.00           H  
HETATM   77  H   UNL     1       1.386  -4.418   1.241  1.00  0.00           H  
HETATM   78  H   UNL     1       3.491  -5.679   1.038  1.00  0.00           H  
HETATM   79  H   UNL     1       4.177  -6.588  -1.145  1.00  0.00           H  
HETATM   80  H   UNL     1       2.757  -6.236  -3.126  1.00  0.00           H  
HETATM   81  H   UNL     1       0.647  -4.982  -2.921  1.00  0.00           H  
HETATM   82  H   UNL     1       0.350  -1.404   0.884  1.00  0.00           H  
HETATM   83  H   UNL     1       2.670  -1.833   2.067  1.00  0.00           H  
HETATM   84  H   UNL     1       2.277   0.486   0.335  1.00  0.00           H  
HETATM   85  H   UNL     1       2.624   0.474   2.093  1.00  0.00           H  
HETATM   86  H   UNL     1       2.901   2.693   1.137  1.00  0.00           H  
HETATM   87  H   UNL     1       3.737   5.000   0.988  1.00  0.00           H  
HETATM   88  H   UNL     1       6.112   5.428   0.522  1.00  0.00           H  
HETATM   89  H   UNL     1       6.830   1.199   0.365  1.00  0.00           H  
HETATM   90  H   UNL     1       7.740   5.704   0.202  1.00  0.00           H  
HETATM   91  H   UNL     1       9.331   5.169   0.792  1.00  0.00           H  
HETATM   92  H   UNL     1       8.987   5.179  -0.955  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   49   50   51                                       
CONECT    4    2    5   52                                            
CONECT    5    4    9    6   53                                       
CONECT    6    5    7    8   54                                       
CONECT    7    6   55   56   57                                       
CONECT    8    6   58   59   60                                       
CONECT    9    5   11   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   61                                            
CONECT   12   11   20   13   62                                       
CONECT   13   12   14   63   64                                       
CONECT   14   13   19   19   15                                       
CONECT   15   14   16   16   65                                       
CONECT   16   15   15   17   66                                       
CONECT   17   16   18   18   67                                       
CONECT   18   17   17   19   68                                       
CONECT   19   14   14   18   69                                       
CONECT   20   12   21   70   71                                       
CONECT   21   20   22   23   72                                       
CONECT   22   21   73                                                 
CONECT   23   21   24   31   74                                       
CONECT   24   23   25   75   76                                       
CONECT   25   24   26   30   30                                       
CONECT   26   25   27   27   77                                       
CONECT   27   26   26   28   78                                       
CONECT   28   27   29   29   79                                       
CONECT   29   28   28   30   80                                       
CONECT   30   25   25   29   81                                       
CONECT   31   23   32   82                                            
CONECT   32   31   34   33   33                                       
CONECT   33   32   32                                                 
CONECT   34   32   36   35   83                                       
CONECT   35   34   39   84   85                                       
CONECT   36   34   37                                                 
CONECT   37   36   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   35   37   40                                            
CONECT   40   39   41   44   44                                       
CONECT   41   40   42   42   86                                       
CONECT   42   41   41   43   87                                       
CONECT   43   42   45   45   88                                       
CONECT   44   40   40   45   89                                       
CONECT   45   43   43   44   46                                       
CONECT   46   45   48   47   47                                       
CONECT   47   46   46                                                 
CONECT   48   46   90   91   92                                       
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    8                                                      
CONECT   60    8                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   13                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   24                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   35                                                      
CONECT   86   41                                                      
CONECT   87   42                                                      
CONECT   88   43                                                      
CONECT   89   44                                                      
CONECT   90   48                                                      
CONECT   91   48                                                      
CONECT   92   48                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
