COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.992  -3.230  -1.510  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.393  -1.208  -0.103  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.100  -1.901  -1.638  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.619  -1.977  -1.809  1.00  0.00           C  
HETATM    5  C   UNL     1       1.220  -2.385   1.305  1.00  0.00           C  
HETATM    6  C   UNL     1       2.705  -2.234   1.512  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.783   1.019  -0.748  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.023   1.712  -1.314  1.00  0.00           C  
HETATM    9  C   UNL     1       0.475   1.668  -1.329  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.048   1.510   0.306  1.00  0.00           C  
HETATM   11  O   UNL     1       5.764   2.969  -0.934  1.00  0.00           O  
HETATM   12  C   UNL     1       1.715   0.975  -0.764  1.00  0.00           C  
HETATM   13  C   UNL     1       2.973   1.624  -1.345  1.00  0.00           C  
HETATM   14  C   UNL     1       8.076   1.023  -0.139  1.00  0.00           C  
HETATM   15  C   UNL     1       8.770   0.144   0.904  1.00  0.00           C  
HETATM   16  C   UNL     1      10.252   0.516   0.982  1.00  0.00           C  
HETATM   17  C   UNL     1      10.945  -0.363   2.024  1.00  0.00           C  
HETATM   18  O   UNL     1      13.049  -0.728   3.155  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.504  -3.307  -1.742  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.728  -2.586  -0.145  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.792  -1.347  -0.357  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.809  -0.366  -1.099  1.00  0.00           O  
HETATM   23  N   UNL     1       0.716  -2.439   0.056  1.00  0.00           N  
HETATM   24  O   UNL     1      -0.437  -4.547  -1.532  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.761  -3.839  -3.043  1.00  0.00           O  
HETATM   26  O   UNL     1      -5.161  -0.655  -1.846  1.00  0.00           O  
HETATM   27  O   UNL     1       0.479  -2.457   2.262  1.00  0.00           O  
HETATM   28  O   UNL     1      -3.191   1.198  -0.671  1.00  0.00           O  
HETATM   29  P   UNL     1      -4.617   1.944  -0.716  1.00  0.00           P  
HETATM   30  O   UNL     1      -5.707   1.068   0.082  1.00  0.00           O  
HETATM   31  C   UNL     1      -7.774   0.501   1.199  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.167   1.034   1.541  1.00  0.00           C  
HETATM   33  O   UNL     1       0.501   3.053  -0.978  1.00  0.00           O  
HETATM   34  O   UNL     1       4.131   1.056  -0.730  1.00  0.00           O  
HETATM   35  P   UNL     1       5.631   1.505  -1.102  1.00  0.00           P  
HETATM   36  O   UNL     1       6.673   0.756  -0.129  1.00  0.00           O  
HETATM   37  O   UNL     1       5.946   1.110  -2.631  1.00  0.00           O  
HETATM   38  O   UNL     1      -5.084   2.115  -2.248  1.00  0.00           O  
HETATM   39  C   UNL     1      12.427   0.010   2.102  1.00  0.00           C  
HETATM   40  O   UNL     1      -4.497   3.277  -0.085  1.00  0.00           O  
HETATM   41  O   UNL     1       1.689  -0.410  -1.115  1.00  0.00           O  
HETATM   42  O   UNL     1      -7.896  -0.744   0.509  1.00  0.00           O  
HETATM   43  O   UNL     1       8.643  -1.230   0.529  1.00  0.00           O  
HETATM   44  O   UNL     1      10.818  -1.736   1.649  1.00  0.00           O  
HETATM   45  O   UNL     1      10.378   1.890   1.357  1.00  0.00           O  
HETATM   46  H   UNL     1      -0.531  -2.627  -2.293  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.245  -0.763   0.881  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.678  -1.268  -2.418  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.854  -2.492  -2.740  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.052  -2.523  -0.971  1.00  0.00           H  
HETATM   51  H   UNL     1       2.923  -2.209   2.579  1.00  0.00           H  
HETATM   52  H   UNL     1       3.223  -3.077   1.055  1.00  0.00           H  
HETATM   53  H   UNL     1       3.044  -1.306   1.050  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.774   1.118   0.338  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.953   2.785  -1.135  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.087   1.526  -2.386  1.00  0.00           H  
HETATM   57  H   UNL     1       0.466   1.569  -2.415  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.032   2.483   0.796  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.568   1.590  -0.648  1.00  0.00           H  
HETATM   60  H   UNL     1       1.724   1.074   0.322  1.00  0.00           H  
HETATM   61  H   UNL     1       3.009   1.448  -2.420  1.00  0.00           H  
HETATM   62  H   UNL     1       2.949   2.697  -1.153  1.00  0.00           H  
HETATM   63  H   UNL     1       8.248   2.073   0.099  1.00  0.00           H  
HETATM   64  H   UNL     1       8.481   0.803  -1.127  1.00  0.00           H  
HETATM   65  H   UNL     1       8.304   0.299   1.877  1.00  0.00           H  
HETATM   66  H   UNL     1      10.717   0.361   0.008  1.00  0.00           H  
HETATM   67  H   UNL     1      10.480  -0.208   2.997  1.00  0.00           H  
HETATM   68  H   UNL     1      13.992  -0.542   3.262  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.956  -3.951  -0.988  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.144  -3.216   0.641  1.00  0.00           H  
HETATM   71  H   UNL     1       1.309  -2.382  -0.710  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.568  -5.014  -2.368  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.701  -3.912  -3.259  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.126  -0.627  -1.888  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.206   0.354   2.117  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.735   1.181   0.623  1.00  0.00           H  
HETATM   77  H   UNL     1       0.510   3.217  -0.025  1.00  0.00           H  
HETATM   78  H   UNL     1       5.878   0.163  -2.815  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.212   1.279  -2.716  1.00  0.00           H  
HETATM   80  H   UNL     1      12.911  -0.228   1.155  1.00  0.00           H  
HETATM   81  H   UNL     1      12.523   1.077   2.301  1.00  0.00           H  
HETATM   82  H   UNL     1       1.680  -0.574  -2.068  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.392  -0.688  -0.319  1.00  0.00           H  
HETATM   84  H   UNL     1       9.036  -1.441  -0.329  1.00  0.00           H  
HETATM   85  H   UNL     1      11.211  -1.947   0.791  1.00  0.00           H  
HETATM   86  H   UNL     1       9.985   2.101   2.215  1.00  0.00           H  
HETATM   87  C   UNL     1      -9.893   0.026   2.434  1.00  0.00           C  
HETATM   88  C   UNL     1     -11.286   0.558   2.776  1.00  0.00           C  
HETATM   89  O   UNL     1      -9.044   2.279   2.231  1.00  0.00           O  
HETATM   90  O   UNL     1     -10.015  -1.220   1.744  1.00  0.00           O  
HETATM   91  O   UNL     1     -11.920  -0.326   3.703  1.00  0.00           O  
HETATM   92  H   UNL     1      -9.325  -0.122   3.352  1.00  0.00           H  
HETATM   93  H   UNL     1     -11.197   1.548   3.222  1.00  0.00           H  
HETATM   94  H   UNL     1     -11.884   0.622   1.867  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.549   2.223   3.059  1.00  0.00           H  
HETATM   96  H   UNL     1     -10.511  -1.164   0.916  1.00  0.00           H  
HETATM   97  H   UNL     1     -12.809  -0.051   3.965  1.00  0.00           H  
CONECT    1   19   24   20   46                                       
CONECT    2   22   21   20   47                                       
CONECT    3    4   19   21   48                                       
CONECT    4    3   26   49   50                                       
CONECT    5   23   27   27    6                                       
CONECT    6    5   51   52   53                                       
CONECT    7    8   22    9   54                                       
CONECT    8   28    7   55   56                                       
CONECT    9    7   33   12   57                                       
CONECT   10   31   30   58   59                                       
CONECT   11   35   35                                                 
CONECT   12    9   41   13   60                                       
CONECT   13   12   34   61   62                                       
CONECT   14   36   15   63   64                                       
CONECT   15   14   16   43   65                                       
CONECT   16   45   15   17   66                                       
CONECT   17   16   44   39   67                                       
CONECT   18   39   68                                                 
CONECT   19   25    3    1   69                                       
CONECT   20    1    2   23   70                                       
CONECT   21    3    2                                                 
CONECT   22    7    2                                                 
CONECT   23   20    5   71                                            
CONECT   24    1   72                                                 
CONECT   25   19   73                                                 
CONECT   26    4   74                                                 
CONECT   27    5    5                                                 
CONECT   28   29    8                                                 
CONECT   29   30   40   40   28                                       
CONECT   29   38                                                      
CONECT   30   10   29                                                 
CONECT   31   42   10   32   75                                       
CONECT   32   31   76   87   89                                       
CONECT   33    9   77                                                 
CONECT   34   13   35                                                 
CONECT   35   34   11   11   36                                       
CONECT   35   37                                                      
CONECT   36   35   14                                                 
CONECT   37   35   78                                                 
CONECT   38   29   79                                                 
CONECT   39   17   18   80   81                                       
CONECT   40   29   29                                                 
CONECT   41   12   82                                                 
CONECT   42   31   83                                                 
CONECT   43   15   84                                                 
CONECT   44   17   85                                                 
CONECT   45   16   86                                                 
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   39                                                      
CONECT   82   41                                                      
CONECT   83   42                                                      
CONECT   84   43                                                      
CONECT   85   44                                                      
CONECT   86   45                                                      
CONECT   87   32   88   90   92                                       
CONECT   88   87   91   93   94                                       
CONECT   89   32   95                                                 
CONECT   90   87   96                                                 
CONECT   91   88   97                                                 
CONECT   92   87                                                      
CONECT   93   88                                                      
CONECT   94   88                                                      
CONECT   95   89                                                      
CONECT   96   90                                                      
CONECT   97   91                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
