COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      15.633  -1.587  -0.729  1.00  0.00           C  
HETATM    2  C   UNL     1      14.423  -1.649  -1.292  1.00  0.00           C  
HETATM    3  C   UNL     1      13.259  -1.125  -0.581  1.00  0.00           C  
HETATM    4  C   UNL     1      12.030  -1.189  -1.153  1.00  0.00           C  
HETATM    5  C   UNL     1      10.890  -0.820  -0.414  1.00  0.00           C  
HETATM    6  C   UNL     1       9.541  -0.770  -1.084  1.00  0.00           C  
HETATM    7  C   UNL     1       8.481  -0.344  -0.066  1.00  0.00           C  
HETATM    8  C   UNL     1       8.355  -1.417   1.017  1.00  0.00           C  
HETATM    9  C   UNL     1       7.135  -0.172  -0.772  1.00  0.00           C  
HETATM   10  C   UNL     1       6.105   0.373   0.219  1.00  0.00           C  
HETATM   11  C   UNL     1       6.514   1.780   0.658  1.00  0.00           C  
HETATM   12  C   UNL     1       4.731   0.428  -0.452  1.00  0.00           C  
HETATM   13  C   UNL     1       3.679   0.854   0.574  1.00  0.00           C  
HETATM   14  C   UNL     1       2.305   0.909  -0.097  1.00  0.00           C  
HETATM   15  C   UNL     1       1.235   1.213   0.954  1.00  0.00           C  
HETATM   16  C   UNL     1       1.240   0.113   2.018  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.118   1.267   0.293  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.196   2.157   0.855  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.461   2.026   0.004  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.513   3.020   0.499  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.850   2.721   1.961  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.778   2.889  -0.352  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.442   3.188  -1.815  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.626   1.384  -0.366  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.239   0.011  -0.262  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.755   0.115  -0.438  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.380  -1.238  -0.213  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.094  -2.347  -1.143  1.00  0.00           C  
HETATM   29  C   UNL     1     -10.197  -1.434   0.835  1.00  0.00           C  
HETATM   30  C   UNL     1     -10.486  -0.302   1.788  1.00  0.00           C  
HETATM   31  C   UNL     1     -10.813  -2.757   1.053  1.00  0.00           C  
HETATM   32  C   UNL     1      13.424  -0.514   0.786  1.00  0.00           C  
HETATM   33  C   UNL     1      13.289  -1.604   1.852  1.00  0.00           C  
HETATM   34  O   UNL     1      10.993  -0.543   0.764  1.00  0.00           O  
HETATM   35  O   UNL     1       2.301   1.936  -1.092  1.00  0.00           O  
HETATM   36  O   UNL     1      -0.338   0.597  -0.688  1.00  0.00           O  
HETATM   37  O   UNL     1      -2.973   0.696   0.113  1.00  0.00           O  
HETATM   38  O   UNL     1      -5.298   1.538  -0.242  1.00  0.00           O  
HETATM   39  O   UNL     1      -7.330   2.347  -0.561  1.00  0.00           O  
HETATM   40  O   UNL     1      -9.051   0.562  -1.763  1.00  0.00           O  
HETATM   41  O   UNL     1      -9.991  -2.679  -2.092  1.00  0.00           O  
HETATM   42  O   UNL     1      -8.050  -2.961  -1.054  1.00  0.00           O  
HETATM   43  O   UNL     1     -11.709  -2.928   2.045  1.00  0.00           O  
HETATM   44  O   UNL     1     -10.513  -3.692   0.338  1.00  0.00           O  
HETATM   45  H   UNL     1      15.751  -1.148   0.251  1.00  0.00           H  
HETATM   46  H   UNL     1      16.493  -1.978  -1.253  1.00  0.00           H  
HETATM   47  H   UNL     1      14.306  -2.087  -2.272  1.00  0.00           H  
HETATM   48  H   UNL     1      11.926  -1.523  -2.175  1.00  0.00           H  
HETATM   49  H   UNL     1       9.568  -0.050  -1.902  1.00  0.00           H  
HETATM   50  H   UNL     1       9.293  -1.756  -1.476  1.00  0.00           H  
HETATM   51  H   UNL     1       8.775   0.601   0.391  1.00  0.00           H  
HETATM   52  H   UNL     1       7.600  -1.114   1.743  1.00  0.00           H  
HETATM   53  H   UNL     1       8.061  -2.362   0.560  1.00  0.00           H  
HETATM   54  H   UNL     1       9.314  -1.540   1.521  1.00  0.00           H  
HETATM   55  H   UNL     1       7.247   0.527  -1.602  1.00  0.00           H  
HETATM   56  H   UNL     1       6.798  -1.136  -1.153  1.00  0.00           H  
HETATM   57  H   UNL     1       6.058  -0.280   1.090  1.00  0.00           H  
HETATM   58  H   UNL     1       6.561   2.434  -0.213  1.00  0.00           H  
HETATM   59  H   UNL     1       5.780   2.169   1.364  1.00  0.00           H  
HETATM   60  H   UNL     1       7.493   1.741   1.136  1.00  0.00           H  
HETATM   61  H   UNL     1       4.754   1.149  -1.270  1.00  0.00           H  
HETATM   62  H   UNL     1       4.478  -0.557  -0.844  1.00  0.00           H  
HETATM   63  H   UNL     1       3.655   0.133   1.391  1.00  0.00           H  
HETATM   64  H   UNL     1       3.931   1.839   0.965  1.00  0.00           H  
HETATM   65  H   UNL     1       2.091  -0.052  -0.566  1.00  0.00           H  
HETATM   66  H   UNL     1       1.449   2.173   1.423  1.00  0.00           H  
HETATM   67  H   UNL     1       2.218   0.074   2.496  1.00  0.00           H  
HETATM   68  H   UNL     1       0.478   0.330   2.767  1.00  0.00           H  
HETATM   69  H   UNL     1       1.026  -0.847   1.549  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.415   1.858   1.880  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.855   3.192   0.843  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.221   2.239  -1.038  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.123   4.034   0.415  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.240   1.707   2.044  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.949   2.815   2.567  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.600   3.430   2.313  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.528   3.597   0.000  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.343   3.094  -2.421  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.051   4.202  -1.898  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.692   2.479  -2.167  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.825  -0.631  -1.040  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.015  -0.414   0.717  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.157   0.825   0.284  1.00  0.00           H  
HETATM   84  H   UNL     1     -11.301   0.304   1.395  1.00  0.00           H  
HETATM   85  H   UNL     1     -10.769  -0.708   2.758  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.594   0.315   1.898  1.00  0.00           H  
HETATM   87  H   UNL     1      14.408  -0.052   0.862  1.00  0.00           H  
HETATM   88  H   UNL     1      12.654   0.242   0.941  1.00  0.00           H  
HETATM   89  H   UNL     1      14.058  -2.360   1.697  1.00  0.00           H  
HETATM   90  H   UNL     1      13.408  -1.162   2.841  1.00  0.00           H  
HETATM   91  H   UNL     1      12.305  -2.066   1.776  1.00  0.00           H  
HETATM   92  H   UNL     1       2.485   2.819  -0.745  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.208   0.438   1.015  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.722  -0.024  -2.458  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.760  -3.412  -2.678  1.00  0.00           H  
HETATM   96  H   UNL     1     -12.085  -3.813   2.149  1.00  0.00           H  
CONECT    1    2    2   45   46                                       
CONECT    2    3    1    1   47                                       
CONECT    3    4    4   32    2                                       
CONECT    4    5    3    3   48                                       
CONECT    5   34   34    6    4                                       
CONECT    6    7    5   49   50                                       
CONECT    7    8    9    6   51                                       
CONECT    8    7   52   53   54                                       
CONECT    9    7   10   55   56                                       
CONECT   10    9   12   11   57                                       
CONECT   11   10   58   59   60                                       
CONECT   12   10   13   61   62                                       
CONECT   13   12   14   63   64                                       
CONECT   14   35   13   15   65                                       
CONECT   15   14   17   16   66                                       
CONECT   16   15   67   68   69                                       
CONECT   17   36   36   18   15                                       
CONECT   18   19   17   70   71                                       
CONECT   19   20   37   18   72                                       
CONECT   20   22   21   19   73                                       
CONECT   21   20   74   75   76                                       
CONECT   22   23   38   20   77                                       
CONECT   23   22   78   79   80                                       
CONECT   24   38   39   39   25                                       
CONECT   25   24   26   81   82                                       
CONECT   26   25   40   27   83                                       
CONECT   27   26   28   29   29                                       
CONECT   28   27   42   42   41                                       
CONECT   29   27   27   30   31                                       
CONECT   30   29   84   85   86                                       
CONECT   31   29   44   44   43                                       
CONECT   32    3   33   87   88                                       
CONECT   33   32   89   90   91                                       
CONECT   34    5    5                                                 
CONECT   35   14   92                                                 
CONECT   36   17   17                                                 
CONECT   37   19   93                                                 
CONECT   38   24   22                                                 
CONECT   39   24   24                                                 
CONECT   40   26   94                                                 
CONECT   41   28   95                                                 
CONECT   42   28   28                                                 
CONECT   43   31   96                                                 
CONECT   44   31   31                                                 
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    4                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   18                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   20                                                      
CONECT   74   21                                                      
CONECT   75   21                                                      
CONECT   76   21                                                      
CONECT   77   22                                                      
CONECT   78   23                                                      
CONECT   79   23                                                      
CONECT   80   23                                                      
CONECT   81   25                                                      
CONECT   82   25                                                      
CONECT   83   26                                                      
CONECT   84   30                                                      
CONECT   85   30                                                      
CONECT   86   30                                                      
CONECT   87   32                                                      
CONECT   88   32                                                      
CONECT   89   33                                                      
CONECT   90   33                                                      
CONECT   91   33                                                      
CONECT   92   35                                                      
CONECT   93   37                                                      
CONECT   94   40                                                      
CONECT   95   41                                                      
CONECT   96   43                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
