COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1     -12.876   0.881   1.674  1.00  0.00           O  
HETATM    2  C   UNL     1     -11.998   1.892   1.578  1.00  0.00           C  
HETATM    3  O   UNL     1     -12.204   2.928   2.167  1.00  0.00           O  
HETATM    4  C   UNL     1     -10.758   1.737   0.737  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.935   3.025   0.799  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.675   2.867  -0.055  1.00  0.00           C  
HETATM    7  O   UNL     1      -7.839   1.857   0.513  1.00  0.00           O  
HETATM    8  P   UNL     1      -7.669   0.711  -0.606  1.00  0.00           P  
HETATM    9  O   UNL     1      -9.005   0.244  -1.039  1.00  0.00           O  
HETATM   10  O   UNL     1      -6.873   1.309  -1.871  1.00  0.00           O  
HETATM   11  O   UNL     1      -6.844  -0.525   0.013  1.00  0.00           O  
HETATM   12  C   UNL     1      -6.829  -1.551  -0.981  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.055  -2.761  -0.454  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.660  -2.430  -0.283  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.966  -3.697  -0.277  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.585  -3.509  -0.592  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.986  -2.875   0.540  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.498  -2.644   0.267  1.00  0.00           C  
HETATM   19  O   UNL     1       0.165  -3.904   0.145  1.00  0.00           O  
HETATM   20  C   UNL     1       0.116  -1.855   1.425  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.547  -0.595   1.547  1.00  0.00           O  
HETATM   22  C   UNL     1       1.604  -1.624   1.152  1.00  0.00           C  
HETATM   23  O   UNL     1       2.267  -2.884   1.029  1.00  0.00           O  
HETATM   24  C   UNL     1       2.218  -0.834   2.310  1.00  0.00           C  
HETATM   25  C   UNL     1       3.651  -0.501   1.985  1.00  0.00           C  
HETATM   26  C   UNL     1       4.662  -1.373   2.347  1.00  0.00           C  
HETATM   27  C   UNL     1       5.976  -1.073   2.047  1.00  0.00           C  
HETATM   28  C   UNL     1       6.283   0.112   1.389  1.00  0.00           C  
HETATM   29  N   UNL     1       7.611   0.421   1.088  1.00  0.00           N  
HETATM   30  C   UNL     1       8.683  -0.502   1.471  1.00  0.00           C  
HETATM   31  C   UNL     1       9.453   0.076   2.659  1.00  0.00           C  
HETATM   32  C   UNL     1       9.637  -0.694   0.290  1.00  0.00           C  
HETATM   33  N   UNL     1      10.171   0.610  -0.135  1.00  0.00           N  
HETATM   34  C   UNL     1       9.333   1.473  -0.869  1.00  0.00           C  
HETATM   35  C   UNL     1       8.175   0.984  -1.460  1.00  0.00           C  
HETATM   36  N   UNL     1       7.389   1.813  -2.157  1.00  0.00           N  
HETATM   37  C   UNL     1       7.694   3.086  -2.289  1.00  0.00           C  
HETATM   38  N   UNL     1       6.861   3.902  -3.011  1.00  0.00           N  
HETATM   39  N   UNL     1       8.815   3.614  -1.726  1.00  0.00           N  
HETATM   40  C   UNL     1       9.651   2.829  -1.013  1.00  0.00           C  
HETATM   41  O   UNL     1      10.661   3.291  -0.505  1.00  0.00           O  
HETATM   42  N   UNL     1       7.843  -0.353  -1.325  1.00  0.00           N  
HETATM   43  C   UNL     1       8.877  -1.306  -0.897  1.00  0.00           C  
HETATM   44  C   UNL     1       8.221  -2.619  -0.467  1.00  0.00           C  
HETATM   45  C   UNL     1       5.266   0.986   1.027  1.00  0.00           C  
HETATM   46  C   UNL     1       3.953   0.677   1.326  1.00  0.00           C  
HETATM   47  C   UNL     1      -4.660  -4.532  -1.377  1.00  0.00           C  
HETATM   48  O   UNL     1      -3.953  -4.416  -2.614  1.00  0.00           O  
HETATM   49  C   UNL     1      -6.066  -3.902  -1.496  1.00  0.00           C  
HETATM   50  O   UNL     1      -6.270  -3.378  -2.809  1.00  0.00           O  
HETATM   51  C   UNL     1      -7.927   4.175  -0.094  1.00  0.00           C  
HETATM   52  O   UNL     1      -6.794   4.235   0.322  1.00  0.00           O  
HETATM   53  O   UNL     1      -8.520   5.272  -0.590  1.00  0.00           O  
HETATM   54  C   UNL     1      11.434   0.970   0.171  1.00  0.00           C  
HETATM   55  O   UNL     1      12.106   0.266   0.896  1.00  0.00           O  
HETATM   56  H   UNL     1     -13.672   0.981   2.213  1.00  0.00           H  
HETATM   57  H   UNL     1     -11.042   1.536  -0.296  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.162   0.907   1.118  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.651   3.226   1.832  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.530   3.855   0.418  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.956   2.579  -1.068  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.011   1.601  -1.545  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.346  -1.176  -1.883  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.852  -1.847  -1.213  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.482  -3.102   0.489  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.071  -4.183   0.693  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.100  -3.513   1.416  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.475  -1.918   0.721  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.382  -2.081  -0.659  1.00  0.00           H  
HETATM   70  H   UNL     1       0.038  -4.369   0.983  1.00  0.00           H  
HETATM   71  H   UNL     1       0.000  -2.418   2.351  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.420  -0.130   0.709  1.00  0.00           H  
HETATM   73  H   UNL     1       1.720  -1.060   0.226  1.00  0.00           H  
HETATM   74  H   UNL     1       2.140  -3.349   1.868  1.00  0.00           H  
HETATM   75  H   UNL     1       2.181  -1.435   3.219  1.00  0.00           H  
HETATM   76  H   UNL     1       1.655   0.087   2.460  1.00  0.00           H  
HETATM   77  H   UNL     1       4.422  -2.292   2.862  1.00  0.00           H  
HETATM   78  H   UNL     1       6.764  -1.754   2.329  1.00  0.00           H  
HETATM   79  H   UNL     1       7.825   1.246   0.625  1.00  0.00           H  
HETATM   80  H   UNL     1       8.252  -1.464   1.750  1.00  0.00           H  
HETATM   81  H   UNL     1       9.939   1.005   2.361  1.00  0.00           H  
HETATM   82  H   UNL     1       8.762   0.274   3.479  1.00  0.00           H  
HETATM   83  H   UNL     1      10.208  -0.640   2.986  1.00  0.00           H  
HETATM   84  H   UNL     1      10.456  -1.352   0.581  1.00  0.00           H  
HETATM   85  H   UNL     1       7.074   4.842  -3.115  1.00  0.00           H  
HETATM   86  H   UNL     1       6.058   3.538  -3.417  1.00  0.00           H  
HETATM   87  H   UNL     1       9.014   4.557  -1.838  1.00  0.00           H  
HETATM   88  H   UNL     1       6.940  -0.656  -1.510  1.00  0.00           H  
HETATM   89  H   UNL     1       9.568  -1.492  -1.719  1.00  0.00           H  
HETATM   90  H   UNL     1       7.531  -2.429   0.355  1.00  0.00           H  
HETATM   91  H   UNL     1       7.674  -3.045  -1.308  1.00  0.00           H  
HETATM   92  H   UNL     1       8.990  -3.320  -0.141  1.00  0.00           H  
HETATM   93  H   UNL     1       5.501   1.906   0.513  1.00  0.00           H  
HETATM   94  H   UNL     1       3.162   1.356   1.045  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.733  -5.576  -1.074  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.087  -4.824  -2.480  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.836  -4.634  -1.253  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.267  -4.132  -3.415  1.00  0.00           H  
HETATM   99  H   UNL     1      -8.040   6.111  -0.615  1.00  0.00           H  
HETATM  100  H   UNL     1      11.846   1.884  -0.228  1.00  0.00           H  
CONECT    1    2   56                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   57   58                                       
CONECT    5    4    6   59   60                                       
CONECT    6    5    7   51   61                                       
CONECT    7    6    8                                                 
CONECT    8    7    9    9   10                                       
CONECT    8   11                                                      
CONECT    9    8    8                                                 
CONECT   10    8   62                                                 
CONECT   11    8   12                                                 
CONECT   12   11   13   63   64                                       
CONECT   13   12   14   49   65                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   47   66                                       
CONECT   16   15   17                                                 
CONECT   17   16   18   67   68                                       
CONECT   18   17   19   20   69                                       
CONECT   19   18   70                                                 
CONECT   20   18   21   22   71                                       
CONECT   21   20   72                                                 
CONECT   22   20   23   24   73                                       
CONECT   23   22   74                                                 
CONECT   24   22   25   75   76                                       
CONECT   25   24   26   46   46                                       
CONECT   26   25   27   27   77                                       
CONECT   27   26   26   28   78                                       
CONECT   28   27   29   45   45                                       
CONECT   29   28   30   79                                            
CONECT   30   29   31   32   80                                       
CONECT   31   30   81   82   83                                       
CONECT   32   30   33   43   84                                       
CONECT   33   32   34   54                                            
CONECT   34   33   35   35   40                                       
CONECT   35   34   34   36   42                                       
CONECT   36   35   37   37                                            
CONECT   37   36   36   38   39                                       
CONECT   38   37   85   86                                            
CONECT   39   37   40   87                                            
CONECT   40   34   39   41   41                                       
CONECT   41   40   40                                                 
CONECT   42   35   43   88                                            
CONECT   43   32   42   44   89                                       
CONECT   44   43   90   91   92                                       
CONECT   45   28   28   46   93                                       
CONECT   46   25   25   45   94                                       
CONECT   47   15   48   49   95                                       
CONECT   48   47   96                                                 
CONECT   49   13   47   50   97                                       
CONECT   50   49   98                                                 
CONECT   51    6   52   52   53                                       
CONECT   52   51   51                                                 
CONECT   53   51   99                                                 
CONECT   54   33   55   55  100                                       
CONECT   55   54   54                                                 
CONECT   56    1                                                      
CONECT   57    4                                                      
CONECT   58    4                                                      
CONECT   59    5                                                      
CONECT   60    5                                                      
CONECT   61    6                                                      
CONECT   62   10                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   15                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
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   29                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   38                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   42                                                      
CONECT   89   43                                                      
CONECT   90   44                                                      
CONECT   91   44                                                      
CONECT   92   44                                                      
CONECT   93   45                                                      
CONECT   94   46                                                      
CONECT   95   47                                                      
CONECT   96   48                                                      
CONECT   97   49                                                      
CONECT   98   50                                                      
CONECT   99   53                                                      
CONECT  100   54                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
