COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.014   3.269   2.168  1.00  0.00           C  
HETATM    2  C   UNL     1       0.652   4.405   1.210  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.287   2.900  -2.785  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.265   2.588   2.658  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.455   4.503  -3.057  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.280   3.404  -3.729  1.00  0.00           C  
HETATM    7  C   UNL     1       3.172   2.490   1.524  1.00  0.00           C  
HETATM    8  C   UNL     1       4.097   1.524   0.829  1.00  0.00           C  
HETATM    9  C   UNL     1       5.547   1.967   1.037  1.00  0.00           C  
HETATM   10  C   UNL     1       6.486   0.986   0.332  1.00  0.00           C  
HETATM   11  C   UNL     1       7.936   1.429   0.540  1.00  0.00           C  
HETATM   12  C   UNL     1       8.875   0.449  -0.166  1.00  0.00           C  
HETATM   13  C   UNL     1      10.324   0.892   0.042  1.00  0.00           C  
HETATM   14  C   UNL     1      11.263  -0.089  -0.663  1.00  0.00           C  
HETATM   15  C   UNL     1      12.691   0.347  -0.458  1.00  0.00           C  
HETATM   16  C   UNL     1      13.575  -0.500   0.007  1.00  0.00           C  
HETATM   17  C   UNL     1      13.209  -1.952   0.177  1.00  0.00           C  
HETATM   18  C   UNL     1      14.217  -2.812  -0.542  1.00  0.00           C  
HETATM   19  C   UNL     1      14.851  -3.759   0.105  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.212   1.534   1.777  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.082   1.056   0.642  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.337   0.388   1.208  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.219  -0.097   0.057  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.474  -0.765   0.622  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.357  -1.251  -0.529  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.612  -1.918   0.036  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.494  -2.404  -1.115  1.00  0.00           C  
HETATM   28  C   UNL     1     -10.750  -3.071  -0.549  1.00  0.00           C  
HETATM   29  C   UNL     1     -11.632  -3.557  -1.701  1.00  0.00           C  
HETATM   30  C   UNL     1     -12.868  -4.214  -1.144  1.00  0.00           C  
HETATM   31  C   UNL     1     -14.054  -3.800  -1.515  1.00  0.00           C  
HETATM   32  C   UNL     1     -15.291  -4.457  -0.958  1.00  0.00           C  
HETATM   33  C   UNL     1     -16.191  -3.395  -0.323  1.00  0.00           C  
HETATM   34  C   UNL     1     -17.446  -4.063   0.242  1.00  0.00           C  
HETATM   35  C   UNL     1     -18.347  -3.001   0.877  1.00  0.00           C  
HETATM   36  C   UNL     1     -19.602  -3.668   1.442  1.00  0.00           C  
HETATM   37  C   UNL     1     -20.502  -2.607   2.077  1.00  0.00           C  
HETATM   38  O   UNL     1       3.626   3.435   2.123  1.00  0.00           O  
HETATM   39  O   UNL     1      -2.561   1.359   2.920  1.00  0.00           O  
HETATM   40  O   UNL     1       1.844   2.299   1.476  1.00  0.00           O  
HETATM   41  O   UNL     1      -1.051   2.154   1.517  1.00  0.00           O  
HETATM   42  O   UNL     1      -1.480   5.958  -0.468  1.00  0.00           O  
HETATM   43  O   UNL     1       0.497   5.370  -1.922  1.00  0.00           O  
HETATM   44  O   UNL     1      -0.164   3.896   0.153  1.00  0.00           O  
HETATM   45  O   UNL     1      -1.711   3.944  -1.972  1.00  0.00           O  
HETATM   46  P   UNL     1      -0.731   4.817  -1.040  1.00  0.00           P  
HETATM   47  H   UNL     1       1.561   3.673   3.020  1.00  0.00           H  
HETATM   48  H   UNL     1       0.104   5.177   1.751  1.00  0.00           H  
HETATM   49  H   UNL     1       1.563   4.833   0.791  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.869   3.650  -2.443  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.845   2.173  -3.206  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.005   1.724   3.270  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.846   3.292   3.253  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.769   4.937  -3.783  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.122   5.278  -2.678  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.623   2.587  -4.028  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.779   3.810  -4.609  1.00  0.00           H  
HETATM   58  H   UNL     1       3.959   0.526   1.245  1.00  0.00           H  
HETATM   59  H   UNL     1       3.872   1.507  -0.237  1.00  0.00           H  
HETATM   60  H   UNL     1       5.685   2.965   0.621  1.00  0.00           H  
HETATM   61  H   UNL     1       5.773   1.983   2.103  1.00  0.00           H  
HETATM   62  H   UNL     1       6.348  -0.012   0.748  1.00  0.00           H  
HETATM   63  H   UNL     1       6.260   0.970  -0.734  1.00  0.00           H  
HETATM   64  H   UNL     1       8.074   2.427   0.124  1.00  0.00           H  
HETATM   65  H   UNL     1       8.161   1.445   1.606  1.00  0.00           H  
HETATM   66  H   UNL     1       8.737  -0.549   0.250  1.00  0.00           H  
HETATM   67  H   UNL     1       8.649   0.432  -1.232  1.00  0.00           H  
HETATM   68  H   UNL     1      10.462   1.890  -0.373  1.00  0.00           H  
HETATM   69  H   UNL     1      10.550   0.908   1.109  1.00  0.00           H  
HETATM   70  H   UNL     1      11.125  -1.087  -0.247  1.00  0.00           H  
HETATM   71  H   UNL     1      11.038  -0.105  -1.729  1.00  0.00           H  
HETATM   72  H   UNL     1      12.986   1.359  -0.695  1.00  0.00           H  
HETATM   73  H   UNL     1      14.566  -0.159   0.269  1.00  0.00           H  
HETATM   74  H   UNL     1      13.208  -2.205   1.238  1.00  0.00           H  
HETATM   75  H   UNL     1      12.218  -2.129  -0.240  1.00  0.00           H  
HETATM   76  H   UNL     1      14.417  -2.647  -1.590  1.00  0.00           H  
HETATM   77  H   UNL     1      14.651  -3.924   1.153  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.369   1.905   0.023  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.528   0.336   0.039  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.049  -0.461   1.828  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.890   1.107   1.812  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.507   0.752  -0.563  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.666  -0.817  -0.547  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.186  -1.614   1.242  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.028  -0.046   1.226  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.645  -0.402  -1.149  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.803  -1.970  -1.133  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.324  -2.767   0.656  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.165  -1.199   0.640  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.782  -1.555  -1.735  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.941  -3.123  -1.719  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.462  -3.920   0.071  1.00  0.00           H  
HETATM   93  H   UNL     1     -11.303  -2.352   0.054  1.00  0.00           H  
HETATM   94  H   UNL     1     -11.920  -2.708  -2.321  1.00  0.00           H  
HETATM   95  H   UNL     1     -11.078  -4.276  -2.305  1.00  0.00           H  
HETATM   96  H   UNL     1     -12.776  -5.027  -0.439  1.00  0.00           H  
HETATM   97  H   UNL     1     -14.146  -2.987  -2.220  1.00  0.00           H  
HETATM   98  H   UNL     1     -15.830  -4.958  -1.762  1.00  0.00           H  
HETATM   99  H   UNL     1     -15.004  -5.189  -0.202  1.00  0.00           H  
HETATM  100  H   UNL     1     -15.652  -2.895   0.481  1.00  0.00           H  
HETATM  101  H   UNL     1     -16.478  -2.664  -1.079  1.00  0.00           H  
HETATM  102  H   UNL     1     -17.986  -4.563  -0.562  1.00  0.00           H  
HETATM  103  H   UNL     1     -17.160  -4.794   0.998  1.00  0.00           H  
HETATM  104  H   UNL     1     -17.807  -2.501   1.681  1.00  0.00           H  
HETATM  105  H   UNL     1     -18.633  -2.269   0.121  1.00  0.00           H  
HETATM  106  H   UNL     1     -20.141  -4.169   0.638  1.00  0.00           H  
HETATM  107  H   UNL     1     -19.315  -4.400   2.198  1.00  0.00           H  
HETATM  108  H   UNL     1     -19.963  -2.106   2.881  1.00  0.00           H  
HETATM  109  H   UNL     1     -20.789  -1.875   1.321  1.00  0.00           H  
HETATM  110  H   UNL     1     -21.396  -3.082   2.480  1.00  0.00           H  
HETATM  111  H   UNL     1       1.034   4.675  -2.328  1.00  0.00           H  
HETATM  112  C   UNL     1      15.858  -4.618  -0.615  1.00  0.00           C  
HETATM  113  C   UNL     1      17.196  -4.562   0.125  1.00  0.00           C  
HETATM  114  C   UNL     1      18.219  -5.434  -0.606  1.00  0.00           C  
HETATM  115  C   UNL     1      19.558  -5.378   0.134  1.00  0.00           C  
HETATM  116  C   UNL     1      20.581  -6.251  -0.596  1.00  0.00           C  
HETATM  117  H   UNL     1      15.502  -5.648  -0.644  1.00  0.00           H  
HETATM  118  H   UNL     1      15.989  -4.250  -1.632  1.00  0.00           H  
HETATM  119  H   UNL     1      17.552  -3.532   0.154  1.00  0.00           H  
HETATM  120  H   UNL     1      17.065  -4.930   1.142  1.00  0.00           H  
HETATM  121  H   UNL     1      17.863  -6.464  -0.635  1.00  0.00           H  
HETATM  122  H   UNL     1      18.351  -5.066  -1.623  1.00  0.00           H  
HETATM  123  H   UNL     1      19.914  -4.349   0.163  1.00  0.00           H  
HETATM  124  H   UNL     1      19.427  -5.747   1.151  1.00  0.00           H  
HETATM  125  H   UNL     1      20.225  -7.281  -0.626  1.00  0.00           H  
HETATM  126  H   UNL     1      20.712  -5.883  -1.614  1.00  0.00           H  
HETATM  127  H   UNL     1      21.534  -6.211  -0.070  1.00  0.00           H  
CONECT    1   40    4    2   47                                       
CONECT    2    1   44   48   49                                       
CONECT    3    6   50   51                                            
CONECT    4    1   41   52   53                                       
CONECT    5   45    6   54   55                                       
CONECT    6    5    3   56   57                                       
CONECT    7    8   38   38   40                                       
CONECT    8    9    7   58   59                                       
CONECT    9   10    8   60   61                                       
CONECT   10   11    9   62   63                                       
CONECT   11   12   10   64   65                                       
CONECT   12   13   11   66   67                                       
CONECT   13   14   12   68   69                                       
CONECT   14   15   13   70   71                                       
CONECT   15   16   16   14   72                                       
CONECT   16   17   15   15   73                                       
CONECT   17   18   16   74   75                                       
CONECT   18   19   19   17   76                                       
CONECT   19   18   18   77  112                                       
CONECT   20   21   41   39   39                                       
CONECT   21   22   20   78   79                                       
CONECT   22   23   21   80   81                                       
CONECT   23   24   22   82   83                                       
CONECT   24   25   23   84   85                                       
CONECT   25   26   24   86   87                                       
CONECT   26   27   25   88   89                                       
CONECT   27   28   26   90   91                                       
CONECT   28   29   27   92   93                                       
CONECT   29   30   28   94   95                                       
CONECT   30   31   31   29   96                                       
CONECT   31   32   30   30   97                                       
CONECT   32   33   31   98   99                                       
CONECT   33   34   32  100  101                                       
CONECT   34   35   33  102  103                                       
CONECT   35   36   34  104  105                                       
CONECT   36   37   35  106  107                                       
CONECT   37   36  108  109  110                                       
CONECT   38    7    7                                                 
CONECT   39   20   20                                                 
CONECT   40    7    1                                                 
CONECT   41    4   20                                                 
CONECT   42   46   46                                                 
CONECT   43   46  111                                                 
CONECT   44    2   46                                                 
CONECT   45   46    5                                                 
CONECT   46   44   42   42   43                                       
CONECT   46   45                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    8                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   13                                                      
CONECT   70   14                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   16                                                      
CONECT   74   17                                                      
CONECT   75   17                                                      
CONECT   76   18                                                      
CONECT   77   19                                                      
CONECT   78   21                                                      
CONECT   79   21                                                      
CONECT   80   22                                                      
CONECT   81   22                                                      
CONECT   82   23                                                      
CONECT   83   23                                                      
CONECT   84   24                                                      
CONECT   85   24                                                      
CONECT   86   25                                                      
CONECT   87   25                                                      
CONECT   88   26                                                      
CONECT   89   26                                                      
CONECT   90   27                                                      
CONECT   91   27                                                      
CONECT   92   28                                                      
CONECT   93   28                                                      
CONECT   94   29                                                      
CONECT   95   29                                                      
CONECT   96   30                                                      
CONECT   97   31                                                      
CONECT   98   32                                                      
CONECT   99   32                                                      
CONECT  100   33                                                      
CONECT  101   33                                                      
CONECT  102   34                                                      
CONECT  103   34                                                      
CONECT  104   35                                                      
CONECT  105   35                                                      
CONECT  106   36                                                      
CONECT  107   36                                                      
CONECT  108   37                                                      
CONECT  109   37                                                      
CONECT  110   37                                                      
CONECT  111   43                                                      
CONECT  112   19  113  117  118                                       
CONECT  113  112  114  119  120                                       
CONECT  114  113  115  121  122                                       
CONECT  115  114  116  123  124                                       
CONECT  116  115  125  126  127                                       
CONECT  117  112                                                      
CONECT  118  112                                                      
CONECT  119  113                                                      
CONECT  120  113                                                      
CONECT  121  114                                                      
CONECT  122  114                                                      
CONECT  123  115                                                      
CONECT  124  115                                                      
CONECT  125  116                                                      
CONECT  126  116                                                      
CONECT  127  116                                                      
MASTER        0    0    0    0    0    0    0    0  127    0  127    0
END
