COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.679  -2.553   0.059  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.366  -3.711   0.702  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.272  -4.515   0.121  1.00  0.00           C  
HETATM    4  C   UNL     1       1.213  -4.772   0.053  1.00  0.00           C  
HETATM    5  C   UNL     1       3.675  -4.346   0.104  1.00  0.00           C  
HETATM    6  C   UNL     1       4.371  -3.182   0.759  1.00  0.00           C  
HETATM    7  C   UNL     1       5.547  -0.302   0.399  1.00  0.00           C  
HETATM    8  C   UNL     1       5.237   2.117   0.843  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.462   2.033  -0.094  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.491   0.690   0.587  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.802  -1.699   0.589  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.136  -2.418   0.380  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.260  -1.608   1.029  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.594  -2.327   0.821  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.717  -1.516   1.470  1.00  0.00           C  
HETATM   16  C   UNL     1       0.043  -4.131   0.802  1.00  0.00           C  
HETATM   17  C   UNL     1       2.459  -4.751   0.940  1.00  0.00           C  
HETATM   18  C   UNL     1       3.361  -4.844  -2.285  1.00  0.00           C  
HETATM   19  C   UNL     1       6.171  -1.592   0.934  1.00  0.00           C  
HETATM   20  C   UNL     1       5.706   0.813   1.435  1.00  0.00           C  
HETATM   21  C   UNL     1       4.658   4.454   1.005  1.00  0.00           C  
HETATM   22  C   UNL     1       3.153   4.508   1.078  1.00  0.00           C  
HETATM   23  C   UNL     1       2.403   4.547  -0.082  1.00  0.00           C  
HETATM   24  C   UNL     1       1.023   4.599  -0.012  1.00  0.00           C  
HETATM   25  C   UNL     1       0.394   4.615   1.219  1.00  0.00           C  
HETATM   26  C   UNL     1       1.146   4.569   2.379  1.00  0.00           C  
HETATM   27  C   UNL     1       2.525   4.518   2.309  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.108   4.687   1.307  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.732   3.638   0.424  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.608   1.947  -1.360  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.759   3.238  -2.167  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.796   3.213  -3.355  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.947   4.505  -4.162  1.00  0.00           C  
HETATM   34  N   UNL     1      -3.809  -0.416  -0.149  1.00  0.00           N  
HETATM   35  N   UNL     1      -9.998  -2.207   1.269  1.00  0.00           N  
HETATM   36  N   UNL     1       3.236  -3.960  -1.240  1.00  0.00           N  
HETATM   37  N   UNL     1       2.949  -4.481  -3.545  1.00  0.00           N  
HETATM   38  N   UNL     1       3.869  -6.027  -2.080  1.00  0.00           N  
HETATM   39  N   UNL     1       5.552  -2.741   0.236  1.00  0.00           N  
HETATM   40  N   UNL     1       5.123   3.209   1.646  1.00  0.00           N  
HETATM   41  N   UNL     1      -2.879   3.028   0.829  1.00  0.00           N  
HETATM   42  N   UNL     1      -1.022   4.481  -5.302  1.00  0.00           N  
HETATM   43  O   UNL     1      -2.058  -2.209  -0.924  1.00  0.00           O  
HETATM   44  O   UNL     1       3.890  -2.645   1.735  1.00  0.00           O  
HETATM   45  O   UNL     1       4.964   2.192  -0.336  1.00  0.00           O  
HETATM   46  O   UNL     1      -1.218   3.342  -0.634  1.00  0.00           O  
HETATM   47  O   UNL     1      -3.237   0.591   1.769  1.00  0.00           O  
HETATM   48  H   UNL     1      -2.837  -3.994   1.501  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.472  -5.574   0.283  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.202  -4.316  -0.949  1.00  0.00           H  
HETATM   51  H   UNL     1       0.962  -5.803  -0.197  1.00  0.00           H  
HETATM   52  H   UNL     1       1.409  -4.214  -0.862  1.00  0.00           H  
HETATM   53  H   UNL     1       4.363  -5.188   0.033  1.00  0.00           H  
HETATM   54  H   UNL     1       6.049  -0.013  -0.525  1.00  0.00           H  
HETATM   55  H   UNL     1       4.488  -0.465   0.201  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.477   2.331  -0.357  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.649  -1.512   1.652  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.331  -2.520  -0.688  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.091  -3.407   0.837  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.065  -1.507   2.097  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.305  -0.619   0.573  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.789  -2.428  -0.247  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.549  -3.316   1.277  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.522  -1.415   2.537  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.762  -0.528   1.013  1.00  0.00           H  
HETATM   66  H   UNL     1       0.155  -3.046   0.790  1.00  0.00           H  
HETATM   67  H   UNL     1       0.034  -4.483   1.833  1.00  0.00           H  
HETATM   68  H   UNL     1       2.318  -4.033   1.748  1.00  0.00           H  
HETATM   69  H   UNL     1       2.622  -5.744   1.361  1.00  0.00           H  
HETATM   70  H   UNL     1       7.244  -1.585   0.747  1.00  0.00           H  
HETATM   71  H   UNL     1       5.984  -1.672   2.005  1.00  0.00           H  
HETATM   72  H   UNL     1       5.109   0.578   2.316  1.00  0.00           H  
HETATM   73  H   UNL     1       6.755   0.899   1.719  1.00  0.00           H  
HETATM   74  H   UNL     1       4.974   4.468  -0.038  1.00  0.00           H  
HETATM   75  H   UNL     1       5.080   5.314   1.525  1.00  0.00           H  
HETATM   76  H   UNL     1       2.895   4.536  -1.044  1.00  0.00           H  
HETATM   77  H   UNL     1       0.437   4.630  -0.918  1.00  0.00           H  
HETATM   78  H   UNL     1       0.654   4.575   3.341  1.00  0.00           H  
HETATM   79  H   UNL     1       3.112   4.485   3.215  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.418   4.521   2.339  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.442   5.674   0.986  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.562   1.812  -1.084  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.936   1.101  -1.964  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.783   3.320  -2.531  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.530   4.093  -1.531  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.772   3.131  -2.990  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.025   2.359  -3.991  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.971   4.587  -4.526  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.718   5.359  -3.526  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.024  -0.364  -1.093  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.960  -3.150   1.627  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.757  -1.691   1.689  1.00  0.00           H  
HETATM   93  H   UNL     1       2.858  -3.079  -1.391  1.00  0.00           H  
HETATM   94  H   UNL     1       2.571  -3.601  -3.697  1.00  0.00           H  
HETATM   95  H   UNL     1       3.037  -5.105  -4.283  1.00  0.00           H  
HETATM   96  H   UNL     1       5.959  -3.154  -0.542  1.00  0.00           H  
HETATM   97  H   UNL     1       5.337   3.171   2.592  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.293   3.236   1.681  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.103   5.324  -5.851  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.072   4.340  -4.994  1.00  0.00           H  
HETATM  101  H   UNL     1       3.957  -6.651  -2.818  1.00  0.00           H  
CONECT    1    2   43   43   11                                       
CONECT    2    3    1   48                                            
CONECT    3   16    2   49   50                                       
CONECT    4   17   16   51   52                                       
CONECT    5   36   17    6   53                                       
CONECT    6   39    5   44   44                                       
CONECT    7   20   19   54   55                                       
CONECT    8   20   40   45   45                                       
CONECT    9   10   41   30   56                                       
CONECT   10    9   47   47   34                                       
CONECT   11    1   34   12   57                                       
CONECT   12   11   13   58   59                                       
CONECT   13   12   14   60   61                                       
CONECT   14   13   15   62   63                                       
CONECT   15   14   35   64   65                                       
CONECT   16    4    3   66   67                                       
CONECT   17    5    4   68   69                                       
CONECT   18   38   38   36   37                                       
CONECT   19    7   39   70   71                                       
CONECT   20    7    8   72   73                                       
CONECT   21   40   22   74   75                                       
CONECT   22   21   27   27   23                                       
CONECT   23   22   24   24   76                                       
CONECT   24   23   23   25   77                                       
CONECT   25   26   26   24   28                                       
CONECT   26   27   25   25   78                                       
CONECT   27   22   22   26   79                                       
CONECT   28   25   29   80   81                                       
CONECT   29   46   46   28   41                                       
CONECT   30    9   31   82   83                                       
CONECT   31   30   32   84   85                                       
CONECT   32   31   33   86   87                                       
CONECT   33   32   42   88   89                                       
CONECT   34   10   11   90                                            
CONECT   35   15   91   92                                            
CONECT   36   18    5   93                                            
CONECT   37   18   94   95                                            
CONECT   38   18   18  101                                            
CONECT   39   19    6   96                                            
CONECT   40    8   21   97                                            
CONECT   41   29    9   98                                            
CONECT   42   33   99  100                                            
CONECT   43    1    1                                                 
CONECT   44    6    6                                                 
CONECT   45    8    8                                                 
CONECT   46   29   29                                                 
CONECT   47   10   10                                                 
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    9                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   20                                                      
CONECT   73   20                                                      
CONECT   74   21                                                      
CONECT   75   21                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   28                                                      
CONECT   82   30                                                      
CONECT   83   30                                                      
CONECT   84   31                                                      
CONECT   85   31                                                      
CONECT   86   32                                                      
CONECT   87   32                                                      
CONECT   88   33                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   35                                                      
CONECT   92   35                                                      
CONECT   93   36                                                      
CONECT   94   37                                                      
CONECT   95   37                                                      
CONECT   96   39                                                      
CONECT   97   40                                                      
CONECT   98   41                                                      
CONECT   99   42                                                      
CONECT  100   42                                                      
CONECT  101   38                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
