COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      15.007  -2.986  -0.731  1.00  0.00           C  
HETATM    2  C   UNL     1      13.837  -2.148  -0.212  1.00  0.00           C  
HETATM    3  C   UNL     1      12.517  -2.803  -0.627  1.00  0.00           C  
HETATM    4  C   UNL     1      11.347  -1.966  -0.108  1.00  0.00           C  
HETATM    5  C   UNL     1      10.028  -2.621  -0.522  1.00  0.00           C  
HETATM    6  C   UNL     1       8.858  -1.783  -0.003  1.00  0.00           C  
HETATM    7  C   UNL     1       7.538  -2.438  -0.417  1.00  0.00           C  
HETATM    8  C   UNL     1       6.368  -1.600   0.102  1.00  0.00           C  
HETATM    9  C   UNL     1       5.069  -2.246  -0.306  1.00  0.00           C  
HETATM   10  C   UNL     1       2.689  -2.358  -0.385  1.00  0.00           C  
HETATM   11  C   UNL     1       1.469  -1.574   0.101  1.00  0.00           C  
HETATM   12  C   UNL     1       0.195  -2.349  -0.240  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.887  -1.281   0.704  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.475  -1.351   2.115  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.995  -1.499   2.028  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.583  -0.295   1.290  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.996  -0.225  -0.122  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.476  -0.077  -0.035  1.00  0.00           C  
HETATM   19  C   UNL     1       2.074   0.731   0.062  1.00  0.00           C  
HETATM   20  C   UNL     1       2.083   2.105  -0.557  1.00  0.00           C  
HETATM   21  C   UNL     1       2.873   3.062   0.338  1.00  0.00           C  
HETATM   22  C   UNL     1       2.882   4.458  -0.290  1.00  0.00           C  
HETATM   23  C   UNL     1       3.672   5.415   0.605  1.00  0.00           C  
HETATM   24  C   UNL     1       3.681   6.810  -0.023  1.00  0.00           C  
HETATM   25  C   UNL     1       4.471   7.767   0.872  1.00  0.00           C  
HETATM   26  C   UNL     1       4.480   9.162   0.244  1.00  0.00           C  
HETATM   27  C   UNL     1       5.270  10.119   1.139  1.00  0.00           C  
HETATM   28  O   UNL     1       5.078  -3.270  -0.946  1.00  0.00           O  
HETATM   29  O   UNL     1       3.901  -1.682   0.042  1.00  0.00           O  
HETATM   30  O   UNL     1      -0.936  -1.675   0.315  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.750  -2.395  -1.286  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.599  -3.621   0.915  1.00  0.00           O  
HETATM   33  O   UNL     1      -3.467  -1.143   0.785  1.00  0.00           O  
HETATM   34  O   UNL     1      -4.925  -2.476   2.804  1.00  0.00           O  
HETATM   35  O   UNL     1      -7.543  -1.564   3.346  1.00  0.00           O  
HETATM   36  O   UNL     1      -9.003  -0.433   1.208  1.00  0.00           O  
HETATM   37  O   UNL     1      -7.545   0.899  -0.811  1.00  0.00           O  
HETATM   38  O   UNL     1      -8.960   2.209  -2.598  1.00  0.00           O  
HETATM   39  O   UNL     1      -7.434   0.203  -3.344  1.00  0.00           O  
HETATM   40  O   UNL     1      -9.517  -0.170  -1.968  1.00  0.00           O  
HETATM   41  O   UNL     1      -5.154   1.120   0.675  1.00  0.00           O  
HETATM   42  O   UNL     1       1.436  -0.277  -0.553  1.00  0.00           O  
HETATM   43  O   UNL     1       2.642   0.537   1.111  1.00  0.00           O  
HETATM   44  P   UNL     1      -2.445  -2.213   0.151  1.00  0.00           P  
HETATM   45  P   UNL     1      -8.389   0.765  -2.176  1.00  0.00           P  
HETATM   46  H   UNL     1      15.947  -2.520  -0.436  1.00  0.00           H  
HETATM   47  H   UNL     1      14.951  -3.989  -0.309  1.00  0.00           H  
HETATM   48  H   UNL     1      14.957  -3.046  -1.819  1.00  0.00           H  
HETATM   49  H   UNL     1      13.887  -2.088   0.875  1.00  0.00           H  
HETATM   50  H   UNL     1      13.892  -1.145  -0.635  1.00  0.00           H  
HETATM   51  H   UNL     1      12.467  -2.864  -1.714  1.00  0.00           H  
HETATM   52  H   UNL     1      12.462  -3.807  -0.204  1.00  0.00           H  
HETATM   53  H   UNL     1      11.397  -1.905   0.980  1.00  0.00           H  
HETATM   54  H   UNL     1      11.403  -0.962  -0.530  1.00  0.00           H  
HETATM   55  H   UNL     1       9.978  -2.681  -1.609  1.00  0.00           H  
HETATM   56  H   UNL     1       9.972  -3.624  -0.099  1.00  0.00           H  
HETATM   57  H   UNL     1       8.908  -1.723   1.084  1.00  0.00           H  
HETATM   58  H   UNL     1       8.913  -0.780  -0.425  1.00  0.00           H  
HETATM   59  H   UNL     1       7.488  -2.498  -1.504  1.00  0.00           H  
HETATM   60  H   UNL     1       7.483  -3.441   0.006  1.00  0.00           H  
HETATM   61  H   UNL     1       6.418  -1.540   1.189  1.00  0.00           H  
HETATM   62  H   UNL     1       6.424  -0.597  -0.320  1.00  0.00           H  
HETATM   63  H   UNL     1       2.666  -3.363   0.037  1.00  0.00           H  
HETATM   64  H   UNL     1       2.672  -2.420  -1.473  1.00  0.00           H  
HETATM   65  H   UNL     1       1.532  -1.435   1.180  1.00  0.00           H  
HETATM   66  H   UNL     1       0.086  -2.411  -1.323  1.00  0.00           H  
HETATM   67  H   UNL     1       0.259  -3.354   0.176  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.133  -2.195   0.162  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.229  -0.437   2.656  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.241  -2.412   1.487  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.337   0.619   1.831  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.242  -1.139  -0.663  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.057  -0.028  -1.040  1.00  0.00           H  
HETATM   74  H   UNL     1       2.550   2.058  -1.540  1.00  0.00           H  
HETATM   75  H   UNL     1       1.059   2.465  -0.658  1.00  0.00           H  
HETATM   76  H   UNL     1       2.406   3.110   1.322  1.00  0.00           H  
HETATM   77  H   UNL     1       3.897   2.703   0.439  1.00  0.00           H  
HETATM   78  H   UNL     1       3.349   4.411  -1.273  1.00  0.00           H  
HETATM   79  H   UNL     1       1.858   4.817  -0.391  1.00  0.00           H  
HETATM   80  H   UNL     1       3.205   5.462   1.589  1.00  0.00           H  
HETATM   81  H   UNL     1       4.696   5.055   0.706  1.00  0.00           H  
HETATM   82  H   UNL     1       4.148   6.763  -1.007  1.00  0.00           H  
HETATM   83  H   UNL     1       2.657   7.169  -0.124  1.00  0.00           H  
HETATM   84  H   UNL     1       4.003   7.814   1.855  1.00  0.00           H  
HETATM   85  H   UNL     1       5.495   7.408   0.973  1.00  0.00           H  
HETATM   86  H   UNL     1       4.947   9.115  -0.740  1.00  0.00           H  
HETATM   87  H   UNL     1       3.456   9.521   0.143  1.00  0.00           H  
HETATM   88  H   UNL     1       5.276  11.113   0.691  1.00  0.00           H  
HETATM   89  H   UNL     1       4.802  10.166   2.122  1.00  0.00           H  
HETATM   90  H   UNL     1       6.294   9.760   1.240  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.413  -3.576   1.863  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.254  -2.582   3.708  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.506  -1.658   3.367  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.443  -0.483   2.068  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.480   2.204  -3.414  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.672   0.767  -3.534  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.496   1.926   0.263  1.00  0.00           H  
CONECT    1    2   46   47   48                                       
CONECT    2    1    3   49   50                                       
CONECT    3    2    4   51   52                                       
CONECT    4    3    5   53   54                                       
CONECT    5    4    6   55   56                                       
CONECT    6    5    7   57   58                                       
CONECT    7    6    8   59   60                                       
CONECT    8    7    9   61   62                                       
CONECT    9    8   28   28   29                                       
CONECT   10   29   11   63   64                                       
CONECT   11   10   42   12   65                                       
CONECT   12   11   30   66   67                                       
CONECT   13   33   14   18   68                                       
CONECT   14   34   13   15   69                                       
CONECT   15   14   35   16   70                                       
CONECT   16   15   36   17   71                                       
CONECT   17   16   18   37   72                                       
CONECT   18   13   41   17   73                                       
CONECT   19   20   42   43   43                                       
CONECT   20   21   19   74   75                                       
CONECT   21   20   22   76   77                                       
CONECT   22   21   23   78   79                                       
CONECT   23   24   22   80   81                                       
CONECT   24   25   23   82   83                                       
CONECT   25   26   24   84   85                                       
CONECT   26   27   25   86   87                                       
CONECT   27   26   88   89   90                                       
CONECT   28    9    9                                                 
CONECT   29    9   10                                                 
CONECT   30   12   44                                                 
CONECT   31   44   44                                                 
CONECT   32   44   91                                                 
CONECT   33   44   13                                                 
CONECT   34   14   92                                                 
CONECT   35   15   93                                                 
CONECT   36   16   94                                                 
CONECT   37   17   45                                                 
CONECT   38   45   95                                                 
CONECT   39   45   96                                                 
CONECT   40   45   45                                                 
CONECT   41   18   97                                                 
CONECT   42   11   19                                                 
CONECT   43   19   19                                                 
CONECT   44   30   31   31   32                                       
CONECT   44   33                                                      
CONECT   45   37   40   40   39                                       
CONECT   45   38                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    8                                                      
CONECT   63   10                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   14                                                      
CONECT   70   15                                                      
CONECT   71   16                                                      
CONECT   72   17                                                      
CONECT   73   18                                                      
CONECT   74   20                                                      
CONECT   75   20                                                      
CONECT   76   21                                                      
CONECT   77   21                                                      
CONECT   78   22                                                      
CONECT   79   22                                                      
CONECT   80   23                                                      
CONECT   81   23                                                      
CONECT   82   24                                                      
CONECT   83   24                                                      
CONECT   84   25                                                      
CONECT   85   25                                                      
CONECT   86   26                                                      
CONECT   87   26                                                      
CONECT   88   27                                                      
CONECT   89   27                                                      
CONECT   90   27                                                      
CONECT   91   32                                                      
CONECT   92   34                                                      
CONECT   93   35                                                      
CONECT   94   36                                                      
CONECT   95   38                                                      
CONECT   96   39                                                      
CONECT   97   41                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
