COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.031   0.840  -0.587  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.959  -1.013   1.081  1.00  0.00           C  
HETATM    3  C   UNL     1       6.250  -1.332  -0.425  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.070  -0.985  -1.207  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.199   0.071   0.803  1.00  0.00           C  
HETATM    6  C   UNL     1      10.286   0.696   1.041  1.00  0.00           C  
HETATM    7  C   UNL     1       2.551  -0.520  -1.055  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.594   0.389   0.590  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.577  -1.742   0.028  1.00  0.00           C  
HETATM   10  C   UNL     1       6.689  -0.635   0.864  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.770  -0.133  -0.651  1.00  0.00           C  
HETATM   12  C   UNL     1     -14.182  -2.418   0.283  1.00  0.00           C  
HETATM   13  C   UNL     1      10.717   1.124  -0.364  1.00  0.00           C  
HETATM   14  C   UNL     1       0.525   0.815  -0.546  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.458  -1.167   1.095  1.00  0.00           C  
HETATM   16  C   UNL     1       4.746  -1.413  -0.465  1.00  0.00           C  
HETATM   17  C   UNL     1     -13.758  -1.302   1.240  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.576  -1.022  -1.250  1.00  0.00           C  
HETATM   19  C   UNL     1      14.395   0.494  -1.258  1.00  0.00           C  
HETATM   20  C   UNL     1       8.783   0.599   1.097  1.00  0.00           C  
HETATM   21  C   UNL     1     -11.699  -0.033   0.904  1.00  0.00           C  
HETATM   22  C   UNL     1     -18.400  -0.494  -0.481  1.00  0.00           C  
HETATM   23  C   UNL     1     -17.905  -1.917  -0.498  1.00  0.00           C  
HETATM   24  C   UNL     1      12.889   0.520  -1.302  1.00  0.00           C  
HETATM   25  C   UNL     1      14.861  -0.732  -0.470  1.00  0.00           C  
HETATM   26  C   UNL     1     -15.684  -2.546   0.296  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.095   0.543   0.576  1.00  0.00           C  
HETATM   28  C   UNL     1       4.057  -0.495  -1.097  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.071  -1.706   0.071  1.00  0.00           C  
HETATM   30  C   UNL     1       8.194  -0.555   0.905  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.270  -0.029  -0.751  1.00  0.00           C  
HETATM   32  C   UNL     1     -12.256  -1.174   1.227  1.00  0.00           C  
HETATM   33  C   UNL     1      12.220   1.221  -0.420  1.00  0.00           C  
HETATM   34  C   UNL     1      18.494  -0.694   0.771  1.00  0.00           C  
HETATM   35  C   UNL     1     -18.796   0.082  -1.624  1.00  0.00           C  
HETATM   36  C   UNL     1     -16.402  -1.925  -0.607  1.00  0.00           C  
HETATM   37  C   UNL     1      16.989  -0.759   0.726  1.00  0.00           C  
HETATM   38  C   UNL     1      16.367  -0.758  -0.427  1.00  0.00           C  
HETATM   39  C   UNL     1      18.937   0.759   0.947  1.00  0.00           C  
HETATM   40  C   UNL     1     -18.933   1.641   0.818  1.00  0.00           C  
HETATM   41  C   UNL     1     -18.448   0.244   0.796  1.00  0.00           C  
HETATM   42  C   UNL     1     -19.342   2.248  -0.382  1.00  0.00           C  
HETATM   43  C   UNL     1     -19.285   1.474  -1.641  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.269   1.102  -1.795  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.252  -0.700   2.288  1.00  0.00           C  
HETATM   46  C   UNL     1       4.033  -2.549   0.222  1.00  0.00           C  
HETATM   47  C   UNL     1      -8.284  -2.200  -1.868  1.00  0.00           C  
HETATM   48  C   UNL     1       7.958   1.829   1.376  1.00  0.00           C  
HETATM   49  C   UNL     1     -12.558   1.174   0.632  1.00  0.00           C  
HETATM   50  C   UNL     1      12.152  -0.260  -2.360  1.00  0.00           C  
HETATM   51  C   UNL     1     -16.359  -3.389   1.347  1.00  0.00           C  
HETATM   52  C   UNL     1      20.442   0.824   0.992  1.00  0.00           C  
HETATM   53  C   UNL     1      21.095   1.520   0.094  1.00  0.00           C  
HETATM   54  C   UNL     1      22.586   1.700   0.218  1.00  0.00           C  
HETATM   55  C   UNL     1     -18.741  -0.702  -2.909  1.00  0.00           C  
HETATM   56  C   UNL     1      16.199  -0.825   2.008  1.00  0.00           C  
HETATM   57  C   UNL     1     -18.982   2.360   2.007  1.00  0.00           C  
HETATM   58  C   UNL     1     -19.799   3.560  -0.372  1.00  0.00           C  
HETATM   59  C   UNL     1      23.300   0.636  -0.618  1.00  0.00           C  
HETATM   60  C   UNL     1     -19.435   3.670   2.000  1.00  0.00           C  
HETATM   61  C   UNL     1     -19.849   4.262   0.822  1.00  0.00           C  
HETATM   62  C   UNL     1      20.355   2.139  -1.064  1.00  0.00           C  
HETATM   63  C   UNL     1      24.791   0.817  -0.494  1.00  0.00           C  
HETATM   64  C   UNL     1      25.546  -0.195  -0.143  1.00  0.00           C  
HETATM   65  C   UNL     1      27.021   0.010   0.085  1.00  0.00           C  
HETATM   66  C   UNL     1      24.939  -1.563   0.034  1.00  0.00           C  
HETATM   67  O   UNL     1     -18.090  -0.294   1.825  1.00  0.00           O  
HETATM   68  O   UNL     1     -19.640   1.982  -2.686  1.00  0.00           O  
HETATM   69  H   UNL     1       2.418   1.055   0.409  1.00  0.00           H  
HETATM   70  H   UNL     1       2.362   1.614  -1.280  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.524  -1.757   0.413  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.569  -1.158   2.089  1.00  0.00           H  
HETATM   73  H   UNL     1       6.607  -0.765  -1.284  1.00  0.00           H  
HETATM   74  H   UNL     1       6.669  -2.338  -0.454  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.733   0.050  -1.157  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.669  -1.455  -2.105  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.739  -0.694   1.429  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.880   1.057   1.142  1.00  0.00           H  
HETATM   79  H   UNL     1      10.722  -0.275   1.275  1.00  0.00           H  
HETATM   80  H   UNL     1      10.630   1.433   1.767  1.00  0.00           H  
HETATM   81  H   UNL     1       2.220  -1.294  -0.362  1.00  0.00           H  
HETATM   82  H   UNL     1       2.164  -0.734  -2.051  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.984   0.534  -0.418  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.029   1.133   1.258  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.978  -1.273   0.926  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.914  -2.778  -0.022  1.00  0.00           H  
HETATM   87  H   UNL     1       6.271   0.371   0.894  1.00  0.00           H  
HETATM   88  H   UNL     1       6.333  -1.202   1.724  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.089  -1.119  -0.989  1.00  0.00           H  
HETATM   90  H   UNL     1     -10.230   0.632  -1.276  1.00  0.00           H  
HETATM   91  H   UNL     1     -13.847  -2.178  -0.726  1.00  0.00           H  
HETATM   92  H   UNL     1     -13.735  -3.359   0.600  1.00  0.00           H  
HETATM   93  H   UNL     1      10.373   0.387  -1.089  1.00  0.00           H  
HETATM   94  H   UNL     1      10.281   2.095  -0.597  1.00  0.00           H  
HETATM   95  H   UNL     1     -14.205  -0.361   0.923  1.00  0.00           H  
HETATM   96  H   UNL     1     -14.093  -1.542   2.249  1.00  0.00           H  
HETATM   97  H   UNL     1      14.787   0.444  -2.274  1.00  0.00           H  
HETATM   98  H   UNL     1      14.760   1.399  -0.772  1.00  0.00           H  
HETATM   99  H   UNL     1     -18.206  -2.418   0.422  1.00  0.00           H  
HETATM  100  H   UNL     1     -18.334  -2.440  -1.353  1.00  0.00           H  
HETATM  101  H   UNL     1      14.469  -0.682   0.545  1.00  0.00           H  
HETATM  102  H   UNL     1      14.496  -1.636  -0.957  1.00  0.00           H  
HETATM  103  H   UNL     1       0.468   0.428   1.490  1.00  0.00           H  
HETATM  104  H   UNL     1       4.569   0.281  -1.647  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.497  -2.125  -0.742  1.00  0.00           H  
HETATM  106  H   UNL     1       8.786  -1.449   0.774  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.766   0.864  -0.411  1.00  0.00           H  
HETATM  108  H   UNL     1     -11.639  -2.023   1.484  1.00  0.00           H  
HETATM  109  H   UNL     1      12.745   1.869   0.266  1.00  0.00           H  
HETATM  110  H   UNL     1      18.858  -1.289   1.609  1.00  0.00           H  
HETATM  111  H   UNL     1      18.902  -1.089  -0.160  1.00  0.00           H  
HETATM  112  H   UNL     1     -15.917  -1.419  -1.428  1.00  0.00           H  
HETATM  113  H   UNL     1      16.934  -0.775  -1.346  1.00  0.00           H  
HETATM  114  H   UNL     1      18.573   1.354   0.109  1.00  0.00           H  
HETATM  115  H   UNL     1      18.529   1.154   1.877  1.00  0.00           H  
HETATM  116  H   UNL     1      -0.531   0.164  -2.282  1.00  0.00           H  
HETATM  117  H   UNL     1      -1.178   1.642  -1.531  1.00  0.00           H  
HETATM  118  H   UNL     1       0.330   1.710  -2.474  1.00  0.00           H  
HETATM  119  H   UNL     1      -4.623   0.309   2.105  1.00  0.00           H  
HETATM  120  H   UNL     1      -5.094  -1.373   2.451  1.00  0.00           H  
HETATM  121  H   UNL     1      -3.613  -0.697   3.171  1.00  0.00           H  
HETATM  122  H   UNL     1       3.815  -2.271   1.253  1.00  0.00           H  
HETATM  123  H   UNL     1       3.101  -2.763  -0.301  1.00  0.00           H  
HETATM  124  H   UNL     1       4.668  -3.435   0.211  1.00  0.00           H  
HETATM  125  H   UNL     1      -8.563  -2.907  -1.087  1.00  0.00           H  
HETATM  126  H   UNL     1      -9.180  -1.855  -2.384  1.00  0.00           H  
HETATM  127  H   UNL     1      -7.620  -2.690  -2.581  1.00  0.00           H  
HETATM  128  H   UNL     1       7.715   2.324   0.435  1.00  0.00           H  
HETATM  129  H   UNL     1       7.038   1.542   1.884  1.00  0.00           H  
HETATM  130  H   UNL     1       8.526   2.511   2.009  1.00  0.00           H  
HETATM  131  H   UNL     1     -12.855   1.181  -0.417  1.00  0.00           H  
HETATM  132  H   UNL     1     -13.448   1.137   1.261  1.00  0.00           H  
HETATM  133  H   UNL     1     -11.993   2.080   0.855  1.00  0.00           H  
HETATM  134  H   UNL     1      11.850  -1.225  -1.955  1.00  0.00           H  
HETATM  135  H   UNL     1      11.268   0.296  -2.672  1.00  0.00           H  
HETATM  136  H   UNL     1      12.806  -0.414  -3.219  1.00  0.00           H  
HETATM  137  H   UNL     1     -16.686  -2.751   2.169  1.00  0.00           H  
HETATM  138  H   UNL     1     -17.223  -3.891   0.911  1.00  0.00           H  
HETATM  139  H   UNL     1     -15.657  -4.133   1.722  1.00  0.00           H  
HETATM  140  H   UNL     1      20.983   0.296   1.764  1.00  0.00           H  
HETATM  141  H   UNL     1      22.863   2.691  -0.141  1.00  0.00           H  
HETATM  142  H   UNL     1      22.878   1.597   1.263  1.00  0.00           H  
HETATM  143  H   UNL     1     -19.685  -1.227  -3.056  1.00  0.00           H  
HETATM  144  H   UNL     1     -18.569  -0.022  -3.743  1.00  0.00           H  
HETATM  145  H   UNL     1     -17.927  -1.426  -2.858  1.00  0.00           H  
HETATM  146  H   UNL     1      15.921   0.184   2.316  1.00  0.00           H  
HETATM  147  H   UNL     1      15.298  -1.418   1.850  1.00  0.00           H  
HETATM  148  H   UNL     1      16.807  -1.287   2.786  1.00  0.00           H  
HETATM  149  H   UNL     1     -18.670   1.899   2.932  1.00  0.00           H  
HETATM  150  H   UNL     1     -20.115   4.031  -1.291  1.00  0.00           H  
HETATM  151  H   UNL     1      23.022  -0.355  -0.259  1.00  0.00           H  
HETATM  152  H   UNL     1      23.007   0.738  -1.663  1.00  0.00           H  
HETATM  153  H   UNL     1     -19.475   4.228   2.924  1.00  0.00           H  
HETATM  154  H   UNL     1     -20.199   5.284   0.830  1.00  0.00           H  
HETATM  155  H   UNL     1      19.943   3.101  -0.758  1.00  0.00           H  
HETATM  156  H   UNL     1      21.041   2.286  -1.897  1.00  0.00           H  
HETATM  157  H   UNL     1      19.545   1.479  -1.372  1.00  0.00           H  
HETATM  158  H   UNL     1      25.237   1.780  -0.694  1.00  0.00           H  
HETATM  159  H   UNL     1      27.196   0.268   1.129  1.00  0.00           H  
HETATM  160  H   UNL     1      27.557  -0.908  -0.157  1.00  0.00           H  
HETATM  161  H   UNL     1      27.379   0.818  -0.553  1.00  0.00           H  
HETATM  162  H   UNL     1      23.867  -1.512  -0.154  1.00  0.00           H  
HETATM  163  H   UNL     1      25.398  -2.257  -0.669  1.00  0.00           H  
HETATM  164  H   UNL     1      25.113  -1.909   1.053  1.00  0.00           H  
CONECT    1    7   14   69   70                                       
CONECT    2    8   15   71   72                                       
CONECT    3   10   16   73   74                                       
CONECT    4    9   18   75   76                                       
CONECT    5   11   21   77   78                                       
CONECT    6   13   20   79   80                                       
CONECT    7   28    1   81   82                                       
CONECT    8   27    2   83   84                                       
CONECT    9   29    4   85   86                                       
CONECT   10   30    3   87   88                                       
CONECT   11   31    5   89   90                                       
CONECT   12   17   26   91   92                                       
CONECT   13   33    6   93   94                                       
CONECT   14   44    1   27   27                                       
CONECT   15    2   29   29   45                                       
CONECT   16    3   28   28   46                                       
CONECT   17   32   12   95   96                                       
CONECT   18   47    4   31   31                                       
CONECT   19   25   24   97   98                                       
CONECT   20    6   48   30   30                                       
CONECT   21   49    5   32   32                                       
CONECT   22   41   23   35   35                                       
CONECT   23   36   22   99  100                                       
CONECT   24   19   33   33   50                                       
CONECT   25   19   38  101  102                                       
CONECT   26   36   36   12   51                                       
CONECT   27   14   14    8  103                                       
CONECT   28   16   16    7  104                                       
CONECT   29   15   15    9  105                                       
CONECT   30   20   20   10  106                                       
CONECT   31   18   18   11  107                                       
CONECT   32   21   21   17  108                                       
CONECT   33   24   24   13  109                                       
CONECT   34   37   39  110  111                                       
CONECT   35   22   22   43   55                                       
CONECT   36   23   26   26  112                                       
CONECT   37   56   34   38   38                                       
CONECT   38   37   37   25  113                                       
CONECT   39   34   52  114  115                                       
CONECT   40   57   41   42   42                                       
CONECT   41   67   67   40   22                                       
CONECT   42   40   40   58   43                                       
CONECT   43   42   35   68   68                                       
CONECT   44   14  116  117  118                                       
CONECT   45   15  119  120  121                                       
CONECT   46   16  122  123  124                                       
CONECT   47   18  125  126  127                                       
CONECT   48   20  128  129  130                                       
CONECT   49   21  131  132  133                                       
CONECT   50   24  134  135  136                                       
CONECT   51   26  137  138  139                                       
CONECT   52   39   53   53  140                                       
CONECT   53   52   52   54   62                                       
CONECT   54   53   59  141  142                                       
CONECT   55   35  143  144  145                                       
CONECT   56   37  146  147  148                                       
CONECT   57   60   60   40  149                                       
CONECT   58   61   61   42  150                                       
CONECT   59   54   63  151  152                                       
CONECT   60   57   57   61  153                                       
CONECT   61   60   58   58  154                                       
CONECT   62   53  155  156  157                                       
CONECT   63   59   64   64  158                                       
CONECT   64   63   63   66   65                                       
CONECT   65   64  159  160  161                                       
CONECT   66   64  162  163  164                                       
CONECT   67   41   41                                                 
CONECT   68   43   43                                                 
CONECT   69    1                                                      
CONECT   70    1                                                      
CONECT   71    2                                                      
CONECT   72    2                                                      
CONECT   73    3                                                      
CONECT   74    3                                                      
CONECT   75    4                                                      
CONECT   76    4                                                      
CONECT   77    5                                                      
CONECT   78    5                                                      
CONECT   79    6                                                      
CONECT   80    6                                                      
CONECT   81    7                                                      
CONECT   82    7                                                      
CONECT   83    8                                                      
CONECT   84    8                                                      
CONECT   85    9                                                      
CONECT   86    9                                                      
CONECT   87   10                                                      
CONECT   88   10                                                      
CONECT   89   11                                                      
CONECT   90   11                                                      
CONECT   91   12                                                      
CONECT   92   12                                                      
CONECT   93   13                                                      
CONECT   94   13                                                      
CONECT   95   17                                                      
CONECT   96   17                                                      
CONECT   97   19                                                      
CONECT   98   19                                                      
CONECT   99   23                                                      
CONECT  100   23                                                      
CONECT  101   25                                                      
CONECT  102   25                                                      
CONECT  103   27                                                      
CONECT  104   28                                                      
CONECT  105   29                                                      
CONECT  106   30                                                      
CONECT  107   31                                                      
CONECT  108   32                                                      
CONECT  109   33                                                      
CONECT  110   34                                                      
CONECT  111   34                                                      
CONECT  112   36                                                      
CONECT  113   38                                                      
CONECT  114   39                                                      
CONECT  115   39                                                      
CONECT  116   44                                                      
CONECT  117   44                                                      
CONECT  118   44                                                      
CONECT  119   45                                                      
CONECT  120   45                                                      
CONECT  121   45                                                      
CONECT  122   46                                                      
CONECT  123   46                                                      
CONECT  124   46                                                      
CONECT  125   47                                                      
CONECT  126   47                                                      
CONECT  127   47                                                      
CONECT  128   48                                                      
CONECT  129   48                                                      
CONECT  130   48                                                      
CONECT  131   49                                                      
CONECT  132   49                                                      
CONECT  133   49                                                      
CONECT  134   50                                                      
CONECT  135   50                                                      
CONECT  136   50                                                      
CONECT  137   51                                                      
CONECT  138   51                                                      
CONECT  139   51                                                      
CONECT  140   52                                                      
CONECT  141   54                                                      
CONECT  142   54                                                      
CONECT  143   55                                                      
CONECT  144   55                                                      
CONECT  145   55                                                      
CONECT  146   56                                                      
CONECT  147   56                                                      
CONECT  148   56                                                      
CONECT  149   57                                                      
CONECT  150   58                                                      
CONECT  151   59                                                      
CONECT  152   59                                                      
CONECT  153   60                                                      
CONECT  154   61                                                      
CONECT  155   62                                                      
CONECT  156   62                                                      
CONECT  157   62                                                      
CONECT  158   63                                                      
CONECT  159   65                                                      
CONECT  160   65                                                      
CONECT  161   65                                                      
CONECT  162   66                                                      
CONECT  163   66                                                      
CONECT  164   66                                                      
MASTER        0    0    0    0    0    0    0    0  164    0  164    0
END
