COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -12.783  -1.118  -0.141  1.00  0.00           C  
HETATM    2  C   UNL     1     -12.850  -1.713   1.268  1.00  0.00           C  
HETATM    3  C   UNL     1     -13.539  -3.080   1.204  1.00  0.00           C  
HETATM    4  C   UNL     1     -14.927  -2.911   0.577  1.00  0.00           C  
HETATM    5  C   UNL     1     -14.779  -2.270  -0.805  1.00  0.00           C  
HETATM    6  C   UNL     1     -16.164  -2.043  -1.413  1.00  0.00           C  
HETATM    7  O   UNL     1     -12.191   0.181  -0.082  1.00  0.00           O  
HETATM    8  O   UNL     1     -11.527  -1.869   1.785  1.00  0.00           O  
HETATM    9  O   UNL     1     -13.673  -3.610   2.525  1.00  0.00           O  
HETATM   10  O   UNL     1     -15.550  -4.190   0.446  1.00  0.00           O  
HETATM   11  O   UNL     1     -14.103  -1.017  -0.678  1.00  0.00           O  
HETATM   12  O   UNL     1     -16.024  -1.553  -2.749  1.00  0.00           O  
HETATM   13  C   UNL     1     -11.806   0.703  -1.355  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.865  -0.284  -2.047  1.00  0.00           C  
HETATM   15  C   UNL     1     -13.052   0.911  -2.218  1.00  0.00           C  
HETATM   16  C   UNL     1     -11.090   2.041  -1.162  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.780   1.814  -0.405  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.064   3.152  -0.212  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.773   2.928   0.534  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.773   2.876   2.040  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.629   2.777  -0.141  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.416   2.566   0.561  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.252   2.412  -0.125  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.049   2.203   0.571  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.049   2.151   2.077  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.880   2.048  -0.118  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.681   1.840   0.575  1.00  0.00           C  
HETATM   28  C   UNL     1       0.499   1.684  -0.120  1.00  0.00           C  
HETATM   29  C   UNL     1       1.696   1.476   0.572  1.00  0.00           C  
HETATM   30  C   UNL     1       1.697   1.423   2.078  1.00  0.00           C  
HETATM   31  C   UNL     1       2.877   1.319  -0.124  1.00  0.00           C  
HETATM   32  C   UNL     1       4.074   1.112   0.568  1.00  0.00           C  
HETATM   33  C   UNL     1       5.255   0.955  -0.128  1.00  0.00           C  
HETATM   34  C   UNL     1       6.451   0.748   0.563  1.00  0.00           C  
HETATM   35  C   UNL     1       7.633   0.591  -0.133  1.00  0.00           C  
HETATM   36  C   UNL     1       7.633   0.644  -1.639  1.00  0.00           C  
HETATM   37  C   UNL     1       8.829   0.383   0.558  1.00  0.00           C  
HETATM   38  C   UNL     1      10.011   0.227  -0.138  1.00  0.00           C  
HETATM   39  C   UNL     1      11.208   0.019   0.554  1.00  0.00           C  
HETATM   40  C   UNL     1      12.388  -0.138  -0.142  1.00  0.00           C  
HETATM   41  C   UNL     1      12.388  -0.085  -1.648  1.00  0.00           C  
HETATM   42  C   UNL     1      13.586  -0.345   0.550  1.00  0.00           C  
HETATM   43  C   UNL     1      14.765  -0.502  -0.145  1.00  0.00           C  
HETATM   44  C   UNL     1      15.965  -0.710   0.548  1.00  0.00           C  
HETATM   45  C   UNL     1      17.134  -0.865  -0.141  1.00  0.00           C  
HETATM   46  C   UNL     1      17.133  -0.812  -1.647  1.00  0.00           C  
HETATM   47  C   UNL     1      18.337  -1.074   0.555  1.00  0.00           C  
HETATM   48  C   UNL     1      19.500  -1.228  -0.131  1.00  0.00           C  
HETATM   49  C   UNL     1      20.714  -1.438   0.570  1.00  0.00           C  
HETATM   50  C   UNL     1      21.848  -1.648  -0.105  1.00  0.00           C  
HETATM   51  C   UNL     1      23.112  -2.003   0.636  1.00  0.00           C  
HETATM   52  C   UNL     1      21.864  -1.530  -1.607  1.00  0.00           C  
HETATM   53  H   UNL     1     -12.179  -1.764  -0.779  1.00  0.00           H  
HETATM   54  H   UNL     1     -13.420  -1.048   1.917  1.00  0.00           H  
HETATM   55  H   UNL     1     -12.944  -3.760   0.595  1.00  0.00           H  
HETATM   56  H   UNL     1     -15.538  -2.271   1.213  1.00  0.00           H  
HETATM   57  H   UNL     1     -14.201  -2.930  -1.452  1.00  0.00           H  
HETATM   58  H   UNL     1     -16.713  -2.984  -1.428  1.00  0.00           H  
HETATM   59  H   UNL     1     -16.709  -1.313  -0.814  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.030  -1.042   1.848  1.00  0.00           H  
HETATM   61  H   UNL     1     -12.832  -3.736   2.985  1.00  0.00           H  
HETATM   62  H   UNL     1     -15.672  -4.656   1.285  1.00  0.00           H  
HETATM   63  H   UNL     1     -16.864  -1.386  -3.197  1.00  0.00           H  
HETATM   64  H   UNL     1     -11.375  -1.237  -2.185  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.571   0.114  -3.019  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.977  -0.432  -1.432  1.00  0.00           H  
HETATM   67  H   UNL     1     -13.783   1.501  -1.665  1.00  0.00           H  
HETATM   68  H   UNL     1     -12.777   1.438  -3.132  1.00  0.00           H  
HETATM   69  H   UNL     1     -13.483  -0.057  -2.473  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.875   2.482  -2.135  1.00  0.00           H  
HETATM   71  H   UNL     1     -11.728   2.716  -0.590  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.995   1.373   0.569  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.142   1.140  -0.976  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.849   3.593  -1.185  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.701   3.827   0.359  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.929   1.848   2.368  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.815   3.236   2.416  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.575   3.505   2.426  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.630   2.815  -1.220  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.416   2.529   1.640  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.253   2.450  -1.204  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.204   1.123   2.404  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.091   2.511   2.453  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.851   2.780   2.462  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.880   2.086  -1.198  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.680   1.802   1.654  1.00  0.00           H  
HETATM   87  H   UNL     1       0.498   1.722  -1.200  1.00  0.00           H  
HETATM   88  H   UNL     1       1.541   0.395   2.406  1.00  0.00           H  
HETATM   89  H   UNL     1       2.654   1.783   2.454  1.00  0.00           H  
HETATM   90  H   UNL     1       0.895   2.053   2.464  1.00  0.00           H  
HETATM   91  H   UNL     1       2.877   1.357  -1.203  1.00  0.00           H  
HETATM   92  H   UNL     1       4.074   1.074   1.647  1.00  0.00           H  
HETATM   93  H   UNL     1       5.255   0.993  -1.208  1.00  0.00           H  
HETATM   94  H   UNL     1       6.452   0.710   1.642  1.00  0.00           H  
HETATM   95  H   UNL     1       7.788   1.671  -1.967  1.00  0.00           H  
HETATM   96  H   UNL     1       8.434   0.014  -2.025  1.00  0.00           H  
HETATM   97  H   UNL     1       6.675   0.283  -2.015  1.00  0.00           H  
HETATM   98  H   UNL     1       8.830   0.346   1.638  1.00  0.00           H  
HETATM   99  H   UNL     1      10.010   0.264  -1.217  1.00  0.00           H  
HETATM  100  H   UNL     1      11.208  -0.019   1.633  1.00  0.00           H  
HETATM  101  H   UNL     1      12.543   0.943  -1.976  1.00  0.00           H  
HETATM  102  H   UNL     1      13.190  -0.714  -2.034  1.00  0.00           H  
HETATM  103  H   UNL     1      11.430  -0.445  -2.024  1.00  0.00           H  
HETATM  104  H   UNL     1      13.586  -0.383   1.629  1.00  0.00           H  
HETATM  105  H   UNL     1      14.765  -0.464  -1.224  1.00  0.00           H  
HETATM  106  H   UNL     1      15.965  -0.748   1.628  1.00  0.00           H  
HETATM  107  H   UNL     1      17.289   0.216  -1.974  1.00  0.00           H  
HETATM  108  H   UNL     1      17.935  -1.442  -2.033  1.00  0.00           H  
HETATM  109  H   UNL     1      16.176  -1.172  -2.023  1.00  0.00           H  
HETATM  110  H   UNL     1      18.337  -1.111   1.634  1.00  0.00           H  
HETATM  111  H   UNL     1      19.500  -1.190  -1.211  1.00  0.00           H  
HETATM  112  H   UNL     1      20.722  -1.429   1.650  1.00  0.00           H  
HETATM  113  H   UNL     1      23.649  -1.090   0.896  1.00  0.00           H  
HETATM  114  H   UNL     1      22.859  -2.547   1.546  1.00  0.00           H  
HETATM  115  H   UNL     1      23.742  -2.627   0.003  1.00  0.00           H  
HETATM  116  H   UNL     1      20.894  -1.172  -1.954  1.00  0.00           H  
HETATM  117  H   UNL     1      22.640  -0.826  -1.908  1.00  0.00           H  
HETATM  118  H   UNL     1      22.069  -2.506  -2.046  1.00  0.00           H  
CONECT    1    7   11    2   53                                       
CONECT    2    1    8    3   54                                       
CONECT    3    2    4    9   55                                       
CONECT    4    5    3   10   56                                       
CONECT    5   11    6    4   57                                       
CONECT    6   12    5   58   59                                       
CONECT    7   13    1                                                 
CONECT    8    2   60                                                 
CONECT    9    3   61                                                 
CONECT   10    4   62                                                 
CONECT   11    1    5                                                 
CONECT   12    6   63                                                 
CONECT   13   16   15   14    7                                       
CONECT   14   13   64   65   66                                       
CONECT   15   13   67   68   69                                       
CONECT   16   17   13   70   71                                       
CONECT   17   18   16   72   73                                       
CONECT   18   19   17   74   75                                       
CONECT   19   21   21   20   18                                       
CONECT   20   19   76   77   78                                       
CONECT   21   22   19   19   79                                       
CONECT   22   23   23   21   80                                       
CONECT   23   24   22   22   81                                       
CONECT   24   26   26   25   23                                       
CONECT   25   24   82   83   84                                       
CONECT   26   27   24   24   85                                       
CONECT   27   28   28   26   86                                       
CONECT   28   29   27   27   87                                       
CONECT   29   30   31   31   28                                       
CONECT   30   29   88   89   90                                       
CONECT   31   32   29   29   91                                       
CONECT   32   33   33   31   92                                       
CONECT   33   34   32   32   93                                       
CONECT   34   35   35   33   94                                       
CONECT   35   37   34   34   36                                       
CONECT   36   35   95   96   97                                       
CONECT   37   38   38   35   98                                       
CONECT   38   39   37   37   99                                       
CONECT   39   40   40   38  100                                       
CONECT   40   42   39   39   41                                       
CONECT   41   40  101  102  103                                       
CONECT   42   43   43   40  104                                       
CONECT   43   44   42   42  105                                       
CONECT   44   45   45   43  106                                       
CONECT   45   47   46   44   44                                       
CONECT   46   45  107  108  109                                       
CONECT   47   48   48   45  110                                       
CONECT   48   49   47   47  111                                       
CONECT   49   50   50   48  112                                       
CONECT   50   51   52   49   49                                       
CONECT   51   50  113  114  115                                       
CONECT   52   50  116  117  118                                       
CONECT   53    1                                                      
CONECT   54    2                                                      
CONECT   55    3                                                      
CONECT   56    4                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    6                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   12                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   15                                                      
CONECT   69   15                                                      
CONECT   70   16                                                      
CONECT   71   16                                                      
CONECT   72   17                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   18                                                      
CONECT   76   20                                                      
CONECT   77   20                                                      
CONECT   78   20                                                      
CONECT   79   21                                                      
CONECT   80   22                                                      
CONECT   81   23                                                      
CONECT   82   25                                                      
CONECT   83   25                                                      
CONECT   84   25                                                      
CONECT   85   26                                                      
CONECT   86   27                                                      
CONECT   87   28                                                      
CONECT   88   30                                                      
CONECT   89   30                                                      
CONECT   90   30                                                      
CONECT   91   31                                                      
CONECT   92   32                                                      
CONECT   93   33                                                      
CONECT   94   34                                                      
CONECT   95   36                                                      
CONECT   96   36                                                      
CONECT   97   36                                                      
CONECT   98   37                                                      
CONECT   99   38                                                      
CONECT  100   39                                                      
CONECT  101   41                                                      
CONECT  102   41                                                      
CONECT  103   41                                                      
CONECT  104   42                                                      
CONECT  105   43                                                      
CONECT  106   44                                                      
CONECT  107   46                                                      
CONECT  108   46                                                      
CONECT  109   46                                                      
CONECT  110   47                                                      
CONECT  111   48                                                      
CONECT  112   49                                                      
CONECT  113   51                                                      
CONECT  114   51                                                      
CONECT  115   51                                                      
CONECT  116   52                                                      
CONECT  117   52                                                      
CONECT  118   52                                                      
MASTER        0    0    0    0    0    0    0    0  118    0  118    0
END
