COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      16.247   0.093  -1.083  1.00  0.00           O  
HETATM    2  C   UNL     1     -19.806   0.924   0.349  1.00  0.00           C  
HETATM    3  C   UNL     1     -10.932   1.250  -1.453  1.00  0.00           C  
HETATM    4  C   UNL     1       8.655   1.115  -1.518  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.277  -2.001  -0.516  1.00  0.00           C  
HETATM    6  C   UNL     1       3.962  -2.072  -0.550  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.159  -2.282  -0.453  1.00  0.00           C  
HETATM    8  O   UNL     1      15.426  -0.323   1.267  1.00  0.00           O  
HETATM    9  O   UNL     1      15.411   2.063   0.443  1.00  0.00           O  
HETATM   10  C   UNL     1     -18.556   0.613  -0.475  1.00  0.00           C  
HETATM   11  C   UNL     1     -17.312   0.792   0.397  1.00  0.00           C  
HETATM   12  C   UNL     1     -16.061   0.482  -0.428  1.00  0.00           C  
HETATM   13  C   UNL     1     -14.817   0.660   0.445  1.00  0.00           C  
HETATM   14  C   UNL     1     -13.567   0.350  -0.380  1.00  0.00           C  
HETATM   15  C   UNL     1      11.284   0.178  -0.462  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.604  -0.157  -0.223  1.00  0.00           C  
HETATM   17  C   UNL     1       6.317  -0.260  -0.273  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.642  -0.668  -0.084  1.00  0.00           C  
HETATM   19  C   UNL     1       1.349  -0.703  -0.101  1.00  0.00           C  
HETATM   20  C   UNL     1      12.545   0.472   0.355  1.00  0.00           C  
HETATM   21  C   UNL     1     -12.323   0.528   0.493  1.00  0.00           C  
HETATM   22  C   UNL     1      10.049   0.374   0.419  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.839   0.275   0.572  1.00  0.00           C  
HETATM   24  C   UNL     1       7.562   0.155   0.514  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.371  -0.100   0.680  1.00  0.00           C  
HETATM   26  C   UNL     1       5.090  -0.186   0.639  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.886  -0.356   0.750  1.00  0.00           C  
HETATM   28  C   UNL     1       2.603  -0.407   0.725  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.392  -0.493   0.780  1.00  0.00           C  
HETATM   30  C   UNL     1       0.107  -0.510   0.772  1.00  0.00           C  
HETATM   31  O   UNL     1      13.698   0.289  -0.468  1.00  0.00           O  
HETATM   32  C   UNL     1     -11.072   0.218  -0.332  1.00  0.00           C  
HETATM   33  C   UNL     1       8.788   0.081  -0.397  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.136  -0.531  -0.115  1.00  0.00           C  
HETATM   35  C   UNL     1       3.845  -0.600  -0.148  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.147  -0.805  -0.053  1.00  0.00           C  
HETATM   37  P   UNL     1      15.201   0.512   0.066  1.00  0.00           P  
HETATM   38  H   UNL     1      17.174   0.201  -0.830  1.00  0.00           H  
HETATM   39  H   UNL     1     -19.859   0.244   1.200  1.00  0.00           H  
HETATM   40  H   UNL     1     -19.759   1.952   0.708  1.00  0.00           H  
HETATM   41  H   UNL     1     -20.693   0.797  -0.273  1.00  0.00           H  
HETATM   42  H   UNL     1     -11.810   1.209  -2.096  1.00  0.00           H  
HETATM   43  H   UNL     1     -10.843   2.246  -1.020  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.040   1.028  -2.040  1.00  0.00           H  
HETATM   45  H   UNL     1       7.757   0.906  -2.099  1.00  0.00           H  
HETATM   46  H   UNL     1       8.583   2.112  -1.085  1.00  0.00           H  
HETATM   47  H   UNL     1       9.529   1.062  -2.167  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.365  -2.616   0.380  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.167  -2.126  -1.132  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.397  -2.308  -1.082  1.00  0.00           H  
HETATM   51  H   UNL     1       4.048  -2.687   0.345  1.00  0.00           H  
HETATM   52  H   UNL     1       3.075  -2.367  -1.110  1.00  0.00           H  
HETATM   53  H   UNL     1       4.846  -2.209  -1.172  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.160  -2.901   0.444  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.052  -2.492  -1.041  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.272  -2.504  -1.047  1.00  0.00           H  
HETATM   57  H   UNL     1      15.279   2.670  -0.298  1.00  0.00           H  
HETATM   58  H   UNL     1     -18.603  -0.415  -0.835  1.00  0.00           H  
HETATM   59  H   UNL     1     -18.503   1.293  -1.326  1.00  0.00           H  
HETATM   60  H   UNL     1     -17.264   1.820   0.756  1.00  0.00           H  
HETATM   61  H   UNL     1     -17.364   0.112   1.248  1.00  0.00           H  
HETATM   62  H   UNL     1     -16.109  -0.547  -0.786  1.00  0.00           H  
HETATM   63  H   UNL     1     -16.009   1.161  -1.278  1.00  0.00           H  
HETATM   64  H   UNL     1     -14.770   1.688   0.804  1.00  0.00           H  
HETATM   65  H   UNL     1     -14.870  -0.020   1.296  1.00  0.00           H  
HETATM   66  H   UNL     1     -13.614  -0.678  -0.738  1.00  0.00           H  
HETATM   67  H   UNL     1     -13.514   1.029  -1.230  1.00  0.00           H  
HETATM   68  H   UNL     1      11.236   0.859  -1.312  1.00  0.00           H  
HETATM   69  H   UNL     1      11.315  -0.850  -0.821  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.743  -1.176  -0.585  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.465   0.514  -1.071  1.00  0.00           H  
HETATM   72  H   UNL     1       6.181   0.413  -1.119  1.00  0.00           H  
HETATM   73  H   UNL     1       6.439  -1.280  -0.635  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.694  -1.696  -0.443  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.594   0.012  -0.934  1.00  0.00           H  
HETATM   76  H   UNL     1       1.305  -0.022  -0.951  1.00  0.00           H  
HETATM   77  H   UNL     1       1.384  -1.731  -0.460  1.00  0.00           H  
HETATM   78  H   UNL     1      12.514   1.500   0.714  1.00  0.00           H  
HETATM   79  H   UNL     1      12.593  -0.209   1.205  1.00  0.00           H  
HETATM   80  H   UNL     1     -12.275   1.556   0.852  1.00  0.00           H  
HETATM   81  H   UNL     1     -12.375  -0.151   1.344  1.00  0.00           H  
HETATM   82  H   UNL     1      10.097  -0.306   1.269  1.00  0.00           H  
HETATM   83  H   UNL     1      10.018   1.403   0.778  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.978  -0.396   1.419  1.00  0.00           H  
HETATM   85  H   UNL     1      -9.700   1.294   0.933  1.00  0.00           H  
HETATM   86  H   UNL     1       7.439   1.175   0.877  1.00  0.00           H  
HETATM   87  H   UNL     1       7.697  -0.518   1.361  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.232   0.919   1.042  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.510  -0.771   1.528  1.00  0.00           H  
HETATM   90  H   UNL     1       5.225  -0.859   1.486  1.00  0.00           H  
HETATM   91  H   UNL     1       4.968   0.835   1.001  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.934  -1.036   1.600  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.834   0.672   1.109  1.00  0.00           H  
HETATM   94  H   UNL     1       2.567   0.621   1.085  1.00  0.00           H  
HETATM   95  H   UNL     1       2.647  -1.088   1.575  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.340   0.535   1.140  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.440  -1.173   1.631  1.00  0.00           H  
HETATM   98  H   UNL     1       0.151  -1.191   1.622  1.00  0.00           H  
HETATM   99  H   UNL     1       0.071   0.518   1.132  1.00  0.00           H  
HETATM  100  H   UNL     1     -11.160  -0.779  -0.764  1.00  0.00           H  
HETATM  101  H   UNL     1       8.860  -0.917  -0.830  1.00  0.00           H  
HETATM  102  H   UNL     1      -6.048   0.083  -1.010  1.00  0.00           H  
HETATM  103  H   UNL     1       3.759   0.016  -1.043  1.00  0.00           H  
HETATM  104  H   UNL     1      -1.146  -0.186  -0.950  1.00  0.00           H  
CONECT    1   37   38                                                 
CONECT    2   10   39   40   41                                       
CONECT    3   32   42   43   44                                       
CONECT    4   33   45   46   47                                       
CONECT    5   34   48   49   50                                       
CONECT    6   35   51   52   53                                       
CONECT    7   36   54   55   56                                       
CONECT    8   37   37                                                 
CONECT    9   37   57                                                 
CONECT   10   11    2   58   59                                       
CONECT   11   12   10   60   61                                       
CONECT   12   13   11   62   63                                       
CONECT   13   12   14   64   65                                       
CONECT   14   13   21   66   67                                       
CONECT   15   20   22   68   69                                       
CONECT   16   25   23   70   71                                       
CONECT   17   24   26   72   73                                       
CONECT   18   29   27   74   75                                       
CONECT   19   28   30   76   77                                       
CONECT   20   31   15   78   79                                       
CONECT   21   14   32   80   81                                       
CONECT   22   15   33   82   83                                       
CONECT   23   16   32   84   85                                       
CONECT   24   33   17   86   87                                       
CONECT   25   34   16   88   89                                       
CONECT   26   17   35   90   91                                       
CONECT   27   18   34   92   93                                       
CONECT   28   35   19   94   95                                       
CONECT   29   36   18   96   97                                       
CONECT   30   19   36   98   99                                       
CONECT   31   37   20                                                 
CONECT   32   21   23    3  100                                       
CONECT   33   22    4   24  101                                       
CONECT   34   27   25    5  102                                       
CONECT   35   26    6   28  103                                       
CONECT   36    7   30   29  104                                       
CONECT   37    8    8    1   31                                       
CONECT   37    9                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   12                                                      
CONECT   64   13                                                      
CONECT   65   13                                                      
CONECT   66   14                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   15                                                      
CONECT   70   16                                                      
CONECT   71   16                                                      
CONECT   72   17                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   18                                                      
CONECT   76   19                                                      
CONECT   77   19                                                      
CONECT   78   20                                                      
CONECT   79   20                                                      
CONECT   80   21                                                      
CONECT   81   21                                                      
CONECT   82   22                                                      
CONECT   83   22                                                      
CONECT   84   23                                                      
CONECT   85   23                                                      
CONECT   86   24                                                      
CONECT   87   24                                                      
CONECT   88   25                                                      
CONECT   89   25                                                      
CONECT   90   26                                                      
CONECT   91   26                                                      
CONECT   92   27                                                      
CONECT   93   27                                                      
CONECT   94   28                                                      
CONECT   95   28                                                      
CONECT   96   29                                                      
CONECT   97   29                                                      
CONECT   98   30                                                      
CONECT   99   30                                                      
CONECT  100   32                                                      
CONECT  101   33                                                      
CONECT  102   34                                                      
CONECT  103   35                                                      
CONECT  104   36                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
