COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -10.423  -2.080   0.391  1.00  0.00           O  
HETATM    2  C   UNL     1     -10.400  -1.008  -0.176  1.00  0.00           C  
HETATM    3  N   UNL     1      -9.819   0.055   0.416  1.00  0.00           N  
HETATM    4  C   UNL     1      -9.682   1.277  -0.273  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.401   2.425   0.413  1.00  0.00           C  
HETATM    6  N   UNL     1      -9.278   3.601  -0.280  1.00  0.00           N  
HETATM    7  C   UNL     1      -9.432   3.614  -1.633  1.00  0.00           C  
HETATM    8  N   UNL     1      -9.306   4.798  -2.311  1.00  0.00           N  
HETATM    9  N   UNL     1      -9.700   2.513  -2.303  1.00  0.00           N  
HETATM   10  C   UNL     1      -9.831   1.334  -1.674  1.00  0.00           C  
HETATM   11  O   UNL     1     -10.078   0.319  -2.310  1.00  0.00           O  
HETATM   12  N   UNL     1      -9.242   2.399   1.782  1.00  0.00           N  
HETATM   13  C   UNL     1      -9.740   1.241   2.539  1.00  0.00           C  
HETATM   14  C   UNL     1     -11.266   1.302   2.631  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.321  -0.034   1.798  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.795  -0.145   1.792  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.294  -0.361   3.221  1.00  0.00           C  
HETATM   18  N   UNL     1      -7.391  -1.278   0.956  1.00  0.00           N  
HETATM   19  C   UNL     1      -6.125  -1.295   0.366  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.245  -0.241   0.577  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.994  -0.261  -0.007  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.741  -2.369  -0.427  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.488  -2.383  -1.008  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.617  -1.329  -0.801  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.251  -1.347  -1.437  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.257  -2.027  -0.492  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.112  -1.242   0.693  1.00  0.00           O  
HETATM   28  C   UNL     1       0.100  -2.158  -1.187  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.045  -2.944  -2.372  1.00  0.00           O  
HETATM   30  C   UNL     1       1.093  -2.838  -0.242  1.00  0.00           C  
HETATM   31  O   UNL     1       1.238  -2.052   0.942  1.00  0.00           O  
HETATM   32  C   UNL     1       2.450  -2.968  -0.937  1.00  0.00           C  
HETATM   33  O   UNL     1       3.344  -3.706  -0.101  1.00  0.00           O  
HETATM   34  C   UNL     1       4.647  -3.886  -0.660  1.00  0.00           C  
HETATM   35  C   UNL     1       5.451  -4.887   0.197  1.00  0.00           C  
HETATM   36  O   UNL     1       4.927  -4.954   1.525  1.00  0.00           O  
HETATM   37  C   UNL     1       6.872  -4.260   0.190  1.00  0.00           C  
HETATM   38  O   UNL     1       7.595  -4.610   1.372  1.00  0.00           O  
HETATM   39  O   UNL     1       5.355  -2.641  -0.651  1.00  0.00           O  
HETATM   40  C   UNL     1       6.526  -2.749   0.174  1.00  0.00           C  
HETATM   41  C   UNL     1       7.680  -1.948  -0.434  1.00  0.00           C  
HETATM   42  O   UNL     1       7.393  -0.551  -0.334  1.00  0.00           O  
HETATM   43  P   UNL     1       8.392   0.589  -0.875  1.00  0.00           P  
HETATM   44  O   UNL     1       9.727   0.407  -0.261  1.00  0.00           O  
HETATM   45  O   UNL     1       8.518   0.478  -2.476  1.00  0.00           O  
HETATM   46  O   UNL     1       7.814   2.040  -0.482  1.00  0.00           O  
HETATM   47  C   UNL     1       8.525   3.254  -0.730  1.00  0.00           C  
HETATM   48  C   UNL     1       7.707   4.139  -1.636  1.00  0.00           C  
HETATM   49  O   UNL     1       8.220   5.294  -2.087  1.00  0.00           O  
HETATM   50  O   UNL     1       6.590   3.808  -1.955  1.00  0.00           O  
HETATM   51  C   UNL     1       8.779   3.977   0.595  1.00  0.00           C  
HETATM   52  C   UNL     1       9.712   3.132   1.465  1.00  0.00           C  
HETATM   53  C   UNL     1       9.962   3.843   2.770  1.00  0.00           C  
HETATM   54  O   UNL     1       9.447   4.916   2.982  1.00  0.00           O  
HETATM   55  O   UNL     1      10.757   3.286   3.697  1.00  0.00           O  
HETATM   56  H   UNL     1     -10.840  -0.906  -1.157  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.109   5.615  -1.827  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.413   4.819  -3.275  1.00  0.00           H  
HETATM   59  H   UNL     1     -11.692   1.288   1.628  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.631   0.442   3.193  1.00  0.00           H  
HETATM   61  H   UNL     1     -11.563   2.219   3.139  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.365   0.773   1.392  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.207  -0.441   3.217  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.594   0.482   3.843  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.723  -1.280   3.622  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.003  -2.017   0.812  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.540   0.594   1.196  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.310   0.558   0.155  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.421  -3.192  -0.588  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.189  -3.217  -1.624  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.295  -1.899  -2.376  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.627  -3.018  -0.228  1.00  0.00           H  
HETATM   73  H   UNL     1       0.469  -1.167  -1.451  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.372  -3.840  -2.212  1.00  0.00           H  
HETATM   75  H   UNL     1       0.723  -3.829   0.022  1.00  0.00           H  
HETATM   76  H   UNL     1       1.564  -1.156   0.782  1.00  0.00           H  
HETATM   77  H   UNL     1       2.324  -3.491  -1.885  1.00  0.00           H  
HETATM   78  H   UNL     1       2.860  -1.976  -1.122  1.00  0.00           H  
HETATM   79  H   UNL     1       4.563  -4.256  -1.682  1.00  0.00           H  
HETATM   80  H   UNL     1       5.460  -5.874  -0.265  1.00  0.00           H  
HETATM   81  H   UNL     1       4.010  -5.259   1.571  1.00  0.00           H  
HETATM   82  H   UNL     1       7.423  -4.547  -0.705  1.00  0.00           H  
HETATM   83  H   UNL     1       7.739  -5.560   1.478  1.00  0.00           H  
HETATM   84  H   UNL     1       6.312  -2.399   1.183  1.00  0.00           H  
HETATM   85  H   UNL     1       8.600  -2.169   0.107  1.00  0.00           H  
HETATM   86  H   UNL     1       7.799  -2.220  -1.482  1.00  0.00           H  
HETATM   87  H   UNL     1       7.680   0.587  -2.945  1.00  0.00           H  
HETATM   88  H   UNL     1       9.478   3.027  -1.208  1.00  0.00           H  
HETATM   89  H   UNL     1       7.658   5.828  -2.665  1.00  0.00           H  
HETATM   90  H   UNL     1       9.241   4.944   0.398  1.00  0.00           H  
HETATM   91  H   UNL     1       7.832   4.125   1.115  1.00  0.00           H  
HETATM   92  H   UNL     1       9.249   2.165   1.661  1.00  0.00           H  
HETATM   93  H   UNL     1      10.658   2.984   0.945  1.00  0.00           H  
HETATM   94  H   UNL     1      10.887   3.780   4.518  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.082   4.425   0.193  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.807   3.135   2.240  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.310   1.244   3.540  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.753  -0.905   2.291  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.926  -0.325  -1.630  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.786  -0.345   0.533  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   56                                       
CONECT    3    2   15    4                                            
CONECT    4    3   10    5    5                                       
CONECT    5    4    4   12    6                                       
CONECT    6    5    7   95                                            
CONECT    7    9    9    6    8                                       
CONECT    8    7   57   58                                            
CONECT    9   10    7    7                                            
CONECT   10   11   11    4    9                                       
CONECT   11   10   10                                                 
CONECT   12   13    5   96                                            
CONECT   13   15   14   12   97                                       
CONECT   14   13   59   60   61                                       
CONECT   15   16    3   13   98                                       
CONECT   16   17   18   15   62                                       
CONECT   17   16   63   64   65                                       
CONECT   18   19   16   66                                            
CONECT   19   20   18   22   22                                       
CONECT   20   21   21   19   67                                       
CONECT   21   20   20   24   68                                       
CONECT   22   19   19   23   69                                       
CONECT   23   24   24   22   70                                       
CONECT   24   21   25   23   23                                       
CONECT   25   24   26   71   99                                       
CONECT   26   28   25   27   72                                       
CONECT   27   26  100                                                 
CONECT   28   29   30   26   73                                       
CONECT   29   28   74                                                 
CONECT   30   32   28   31   75                                       
CONECT   31   30   76                                                 
CONECT   32   33   30   77   78                                       
CONECT   33   34   32                                                 
CONECT   34   35   39   33   79                                       
CONECT   35   36   37   34   80                                       
CONECT   36   35   81                                                 
CONECT   37   38   35   40   82                                       
CONECT   38   37   83                                                 
CONECT   39   40   34                                                 
CONECT   40   37   41   39   84                                       
CONECT   41   42   40   85   86                                       
CONECT   42   43   41                                                 
CONECT   43   44   44   45   46                                       
CONECT   43   42                                                      
CONECT   44   43   43                                                 
CONECT   45   43   87                                                 
CONECT   46   47   43                                                 
CONECT   47   48   51   46   88                                       
CONECT   48   50   50   47   49                                       
CONECT   49   48   89                                                 
CONECT   50   48   48                                                 
CONECT   51   52   47   90   91                                       
CONECT   52   53   51   92   93                                       
CONECT   53   54   54   52   55                                       
CONECT   54   53   53                                                 
CONECT   55   53   94                                                 
CONECT   56    2                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
CONECT   84   40                                                      
CONECT   85   41                                                      
CONECT   86   41                                                      
CONECT   87   45                                                      
CONECT   88   47                                                      
CONECT   89   49                                                      
CONECT   90   51                                                      
CONECT   91   51                                                      
CONECT   92   52                                                      
CONECT   93   52                                                      
CONECT   94   55                                                      
CONECT   95    6                                                      
CONECT   96   12                                                      
CONECT   97   13                                                      
CONECT   98   15                                                      
CONECT   99   25                                                      
CONECT  100   27                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
