COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.383  -0.469   1.062  1.00  0.00           O  
HETATM    2  C   UNL     1       6.298  -0.990  -0.032  1.00  0.00           C  
HETATM    3  O   UNL     1       7.334  -1.693  -0.526  1.00  0.00           O  
HETATM    4  C   UNL     1       8.524  -1.782   0.301  1.00  0.00           C  
HETATM    5  C   UNL     1       8.172  -2.450   1.632  1.00  0.00           C  
HETATM    6  C   UNL     1       9.587  -2.614  -0.420  1.00  0.00           C  
HETATM    7  C   UNL     1       9.069  -0.377   0.564  1.00  0.00           C  
HETATM    8  N   UNL     1       5.163  -0.868  -0.749  1.00  0.00           N  
HETATM    9  C   UNL     1       4.033  -0.108  -0.210  1.00  0.00           C  
HETATM   10  C   UNL     1       2.734  -0.606  -0.845  1.00  0.00           C  
HETATM   11  O   UNL     1       2.748  -0.320  -2.245  1.00  0.00           O  
HETATM   12  C   UNL     1       4.220   1.377  -0.527  1.00  0.00           C  
HETATM   13  C   UNL     1       5.433   1.897   0.199  1.00  0.00           C  
HETATM   14  C   UNL     1       5.306   2.417   1.474  1.00  0.00           C  
HETATM   15  C   UNL     1       6.675   1.849  -0.407  1.00  0.00           C  
HETATM   16  C   UNL     1       6.419   2.895   2.140  1.00  0.00           C  
HETATM   17  C   UNL     1       7.788   2.327   0.259  1.00  0.00           C  
HETATM   18  C   UNL     1       7.660   2.852   1.532  1.00  0.00           C  
HETATM   19  C   UNL     1       1.544   0.099  -0.192  1.00  0.00           C  
HETATM   20  C   UNL     1       0.240  -0.488  -0.738  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.929   0.288  -0.189  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.917   0.668   0.963  1.00  0.00           O  
HETATM   23  C   UNL     1       0.124  -1.953  -0.315  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.090  -2.568  -0.962  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.290  -2.615  -0.277  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.005  -3.081  -2.243  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.403  -3.179  -0.871  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.119  -3.645  -2.837  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.317  -3.697  -2.149  1.00  0.00           C  
HETATM   30  N   UNL     1      -1.987   0.560  -0.977  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.072   1.410  -0.480  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.394   0.723  -0.711  1.00  0.00           C  
HETATM   33  O   UNL     1      -4.503  -0.102  -1.593  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.055   2.747  -1.223  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.766   3.500  -0.889  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.690   4.778  -1.727  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.758   3.863   0.597  1.00  0.00           C  
HETATM   38  N   UNL     1      -5.455   1.026   0.063  1.00  0.00           N  
HETATM   39  C   UNL     1      -6.740   0.359  -0.161  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.502   1.086  -1.239  1.00  0.00           C  
HETATM   41  O   UNL     1      -7.019   2.065  -1.768  1.00  0.00           O  
HETATM   42  C   UNL     1      -7.554   0.370   1.134  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.850  -0.460   2.177  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.122  -1.811   2.283  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.929   0.128   3.023  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.477  -2.573   3.240  1.00  0.00           C  
HETATM   47  C   UNL     1      -5.283  -0.633   3.979  1.00  0.00           C  
HETATM   48  C   UNL     1      -5.559  -1.984   4.089  1.00  0.00           C  
HETATM   49  N   UNL     1      -8.719   0.648  -1.616  1.00  0.00           N  
HETATM   50  H   UNL     1       7.784  -3.451   1.445  1.00  0.00           H  
HETATM   51  H   UNL     1       9.065  -2.516   2.253  1.00  0.00           H  
HETATM   52  H   UNL     1       7.415  -1.857   2.147  1.00  0.00           H  
HETATM   53  H   UNL     1       9.838  -2.138  -1.368  1.00  0.00           H  
HETATM   54  H   UNL     1      10.480  -2.681   0.201  1.00  0.00           H  
HETATM   55  H   UNL     1       9.198  -3.615  -0.608  1.00  0.00           H  
HETATM   56  H   UNL     1       8.312   0.216   1.079  1.00  0.00           H  
HETATM   57  H   UNL     1       9.962  -0.444   1.186  1.00  0.00           H  
HETATM   58  H   UNL     1       9.320   0.099  -0.384  1.00  0.00           H  
HETATM   59  H   UNL     1       5.095  -1.284  -1.623  1.00  0.00           H  
HETATM   60  H   UNL     1       3.986  -0.246   0.871  1.00  0.00           H  
HETATM   61  H   UNL     1       2.645  -1.682  -0.695  1.00  0.00           H  
HETATM   62  H   UNL     1       2.825   0.621  -2.453  1.00  0.00           H  
HETATM   63  H   UNL     1       4.356   1.505  -1.600  1.00  0.00           H  
HETATM   64  H   UNL     1       3.338   1.931  -0.204  1.00  0.00           H  
HETATM   65  H   UNL     1       4.337   2.451   1.949  1.00  0.00           H  
HETATM   66  H   UNL     1       6.775   1.439  -1.401  1.00  0.00           H  
HETATM   67  H   UNL     1       6.320   3.301   3.135  1.00  0.00           H  
HETATM   68  H   UNL     1       8.758   2.289  -0.214  1.00  0.00           H  
HETATM   69  H   UNL     1       8.530   3.225   2.052  1.00  0.00           H  
HETATM   70  H   UNL     1       1.583  -0.046   0.888  1.00  0.00           H  
HETATM   71  H   UNL     1       1.585   1.165  -0.417  1.00  0.00           H  
HETATM   72  H   UNL     1       0.241  -0.423  -1.826  1.00  0.00           H  
HETATM   73  H   UNL     1       1.017  -2.494  -0.629  1.00  0.00           H  
HETATM   74  H   UNL     1       0.027  -2.011   0.770  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.357  -2.210   0.722  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.069  -3.040  -2.780  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.340  -3.217  -0.335  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.052  -4.045  -3.838  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.187  -4.139  -2.613  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.031   0.193  -1.874  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.936   1.586   0.587  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.102   2.566  -2.297  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.914   3.344  -0.917  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.907   2.867  -1.113  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.549   5.410  -1.503  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.771   5.314  -1.489  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.696   4.519  -2.786  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.617   4.496   0.821  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.812   2.953   1.194  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.840   4.399   0.835  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.368   1.686   0.769  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.565  -0.671  -0.472  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.653   1.395   1.492  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.543  -0.046   0.945  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.839  -2.272   1.620  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.713   1.183   2.936  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.690  -3.628   3.323  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.563  -0.174   4.639  1.00  0.00           H  
HETATM   99  H   UNL     1      -5.055  -2.579   4.836  1.00  0.00           H  
HETATM  100  H   UNL     1      -9.210   1.116  -2.310  1.00  0.00           H  
HETATM  101  H   UNL     1      -9.106  -0.135  -1.193  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    8    1    1                                       
CONECT    3    4    2                                                 
CONECT    4    7    3    6    5                                       
CONECT    5    4   50   51   52                                       
CONECT    6    4   53   54   55                                       
CONECT    7    4   56   57   58                                       
CONECT    8    2    9   59                                            
CONECT    9   10    8   12   60                                       
CONECT   10   19   11    9   61                                       
CONECT   11   10   62                                                 
CONECT   12    9   13   63   64                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13   16   65                                       
CONECT   15   13   17   17   66                                       
CONECT   16   14   18   18   67                                       
CONECT   17   15   15   18   68                                       
CONECT   18   16   16   17   69                                       
CONECT   19   20   10   70   71                                       
CONECT   20   23   21   19   72                                       
CONECT   21   30   22   22   20                                       
CONECT   22   21   21                                                 
CONECT   23   24   20   73   74                                       
CONECT   24   25   23   26   26                                       
CONECT   25   27   27   24   75                                       
CONECT   26   24   24   28   76                                       
CONECT   27   25   25   29   77                                       
CONECT   28   29   29   26   78                                       
CONECT   29   27   28   28   79                                       
CONECT   30   31   21   80                                            
CONECT   31   32   34   30   81                                       
CONECT   32   38   33   33   31                                       
CONECT   33   32   32                                                 
CONECT   34   35   31   82   83                                       
CONECT   35   36   34   37   84                                       
CONECT   36   35   85   86   87                                       
CONECT   37   35   88   89   90                                       
CONECT   38   39   32   91                                            
CONECT   39   40   42   38   92                                       
CONECT   40   49   41   41   39                                       
CONECT   41   40   40                                                 
CONECT   42   39   43   93   94                                       
CONECT   43   44   42   45   45                                       
CONECT   44   46   46   43   95                                       
CONECT   45   43   43   47   96                                       
CONECT   46   44   44   48   97                                       
CONECT   47   48   48   45   98                                       
CONECT   48   46   47   47   99                                       
CONECT   49   40  100  101                                            
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   20                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   36                                                      
CONECT   88   37                                                      
CONECT   89   37                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   39                                                      
CONECT   93   42                                                      
CONECT   94   42                                                      
CONECT   95   44                                                      
CONECT   96   45                                                      
CONECT   97   46                                                      
CONECT   98   47                                                      
CONECT   99   48                                                      
CONECT  100   49                                                      
CONECT  101   49                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
