COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -8.736  -0.383  -1.501  1.00  0.00           O  
HETATM    2  O   UNL     1      -4.727   2.233  -0.835  1.00  0.00           O  
HETATM    3  O   UNL     1     -11.106   0.704  -0.348  1.00  0.00           O  
HETATM    4  O   UNL     1      -7.105   1.135   0.292  1.00  0.00           O  
HETATM    5  O   UNL     1     -12.767  -1.158   1.051  1.00  0.00           O  
HETATM    6  C   UNL     1      -9.260  -0.855  -0.258  1.00  0.00           C  
HETATM    7  O   UNL     1      -8.936  -2.237  -0.098  1.00  0.00           O  
HETATM    8  C   UNL     1      -9.392  -2.805   1.131  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.966  -4.273   1.205  1.00  0.00           C  
HETATM   10  O   UNL     1      -7.541  -4.353   1.260  1.00  0.00           O  
HETATM   11  C   UNL     1     -10.919  -2.713   1.198  1.00  0.00           C  
HETATM   12  O   UNL     1     -11.374  -3.228   2.451  1.00  0.00           O  
HETATM   13  C   UNL     1     -11.341  -1.247   1.064  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.781  -0.684  -0.247  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.239   0.961  -1.236  1.00  0.00           C  
HETATM   16  O   UNL     1      -4.898   0.720  -2.603  1.00  0.00           O  
HETATM   17  C   UNL     1      -5.342  -0.544  -3.101  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.898  -0.703  -4.556  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.471  -0.755  -4.616  1.00  0.00           O  
HETATM   20  C   UNL     1      -6.869  -0.613  -3.023  1.00  0.00           C  
HETATM   21  O   UNL     1      -7.312  -1.898  -3.466  1.00  0.00           O  
HETATM   22  C   UNL     1      -7.309  -0.393  -1.572  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.762   0.952  -1.083  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.245   2.069   0.564  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.747   1.748   1.864  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.908   3.421   0.244  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.339   3.839  -1.052  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.900   5.285  -1.294  1.00  0.00           C  
HETATM   29  O   UNL     1       0.527   5.350  -1.331  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.865   3.748  -1.134  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.295   4.112  -2.448  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.300   2.311  -0.832  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.768   1.907   0.546  1.00  0.00           C  
HETATM   34  O   UNL     1      -3.106   0.544   0.808  1.00  0.00           O  
HETATM   35  C   UNL     1       2.745   0.365   1.826  1.00  0.00           C  
HETATM   36  O   UNL     1       3.255  -0.949   1.589  1.00  0.00           O  
HETATM   37  O   UNL     1       3.064   0.767   3.159  1.00  0.00           O  
HETATM   38  C   UNL     1       2.620   2.083   3.494  1.00  0.00           C  
HETATM   39  C   UNL     1       3.040   2.414   4.928  1.00  0.00           C  
HETATM   40  O   UNL     1       4.465   2.464   5.007  1.00  0.00           O  
HETATM   41  C   UNL     1       1.095   2.150   3.380  1.00  0.00           C  
HETATM   42  O   UNL     1       0.653   3.480   3.658  1.00  0.00           O  
HETATM   43  C   UNL     1       0.679   1.759   1.959  1.00  0.00           C  
HETATM   44  C   UNL     1       1.224   0.363   1.645  1.00  0.00           C  
HETATM   45  O   UNL     1       0.905   0.018   0.296  1.00  0.00           O  
HETATM   46  C   UNL     1       6.763  -0.970   0.247  1.00  0.00           C  
HETATM   47  O   UNL     1       7.287  -0.809  -1.072  1.00  0.00           O  
HETATM   48  O   UNL     1       7.085  -2.276   0.732  1.00  0.00           O  
HETATM   49  C   UNL     1       6.627  -2.534   2.061  1.00  0.00           C  
HETATM   50  C   UNL     1       7.051  -3.942   2.482  1.00  0.00           C  
HETATM   51  O   UNL     1       8.476  -4.009   2.554  1.00  0.00           O  
HETATM   52  C   UNL     1       5.100  -2.426   2.103  1.00  0.00           C  
HETATM   53  O   UNL     1       4.644  -2.627   3.442  1.00  0.00           O  
HETATM   54  C   UNL     1       4.681  -1.033   1.622  1.00  0.00           C  
HETATM   55  C   UNL     1       5.241  -0.800   0.216  1.00  0.00           C  
HETATM   56  O   UNL     1       4.918   0.524  -0.213  1.00  0.00           O  
HETATM   57  C   UNL     1      10.787   0.552  -1.133  1.00  0.00           C  
HETATM   58  O   UNL     1      11.302   1.882  -1.045  1.00  0.00           O  
HETATM   59  O   UNL     1      11.128  -0.008  -2.403  1.00  0.00           O  
HETATM   60  C   UNL     1      10.681  -1.353  -2.586  1.00  0.00           C  
HETATM   61  C   UNL     1      11.125  -1.855  -3.962  1.00  0.00           C  
HETATM   62  O   UNL     1      12.552  -1.921  -4.007  1.00  0.00           O  
HETATM   63  C   UNL     1       9.154  -1.398  -2.494  1.00  0.00           C  
HETATM   64  O   UNL     1       8.708  -2.750  -2.620  1.00  0.00           O  
HETATM   65  C   UNL     1       8.714  -0.839  -1.138  1.00  0.00           C  
HETATM   66  C   UNL     1       9.264   0.583  -0.983  1.00  0.00           C  
HETATM   67  O   UNL     1       8.922   1.089   0.309  1.00  0.00           O  
HETATM   68  H   UNL     1     -10.778   1.127  -1.153  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.786   1.966   0.670  1.00  0.00           H  
HETATM   70  H   UNL     1     -13.104  -0.256   0.968  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.824  -0.282   0.561  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.958  -2.258   1.968  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.391  -4.730   2.099  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.326  -4.800   0.321  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.199  -5.256   1.308  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.355  -3.293   0.385  1.00  0.00           H  
HETATM   77  H   UNL     1     -12.335  -3.200   2.562  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.947  -0.675   1.905  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.214  -1.223  -1.089  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.806   0.181  -0.610  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.910  -1.344  -2.499  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.312  -1.625  -4.964  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.256   0.145  -5.140  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.118  -0.856  -5.511  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.302   0.161  -3.656  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.064  -2.106  -4.377  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.918  -1.196  -0.947  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.193   1.758  -1.676  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.800   1.400  -0.172  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.895   3.193  -1.809  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.305   5.633  -2.244  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.272   5.917  -0.487  1.00  0.00           H  
HETATM   93  H   UNL     1       0.876   6.239  -1.481  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.310   4.425  -0.405  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.049   5.011  -2.707  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.897   1.641  -1.591  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.211   2.547   1.310  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.799   0.220   1.666  1.00  0.00           H  
HETATM   99  H   UNL     1       3.194   1.062   1.118  1.00  0.00           H  
HETATM  100  H   UNL     1       3.068   2.803   2.809  1.00  0.00           H  
HETATM  101  H   UNL     1       2.625   3.381   5.214  1.00  0.00           H  
HETATM  102  H   UNL     1       2.665   1.644   5.603  1.00  0.00           H  
HETATM  103  H   UNL     1       4.803   2.670   5.890  1.00  0.00           H  
HETATM  104  H   UNL     1       0.645   1.460   4.095  1.00  0.00           H  
HETATM  105  H   UNL     1       0.887   3.796   4.542  1.00  0.00           H  
HETATM  106  H   UNL     1       1.086   2.479   1.249  1.00  0.00           H  
HETATM  107  H   UNL     1       0.778  -0.364   2.323  1.00  0.00           H  
HETATM  108  H   UNL     1       1.220  -0.856   0.028  1.00  0.00           H  
HETATM  109  H   UNL     1       7.199  -0.220   0.906  1.00  0.00           H  
HETATM  110  H   UNL     1       7.062  -1.804   2.743  1.00  0.00           H  
HETATM  111  H   UNL     1       6.627  -4.173   3.459  1.00  0.00           H  
HETATM  112  H   UNL     1       6.690  -4.665   1.750  1.00  0.00           H  
HETATM  113  H   UNL     1       8.817  -4.875   2.816  1.00  0.00           H  
HETATM  114  H   UNL     1       4.664  -3.184   1.452  1.00  0.00           H  
HETATM  115  H   UNL     1       4.879  -3.489   3.812  1.00  0.00           H  
HETATM  116  H   UNL     1       5.075  -0.279   2.303  1.00  0.00           H  
HETATM  117  H   UNL     1       4.808  -1.524  -0.474  1.00  0.00           H  
HETATM  118  H   UNL     1       5.247   0.743  -1.096  1.00  0.00           H  
HETATM  119  H   UNL     1      11.218  -0.058  -0.339  1.00  0.00           H  
HETATM  120  H   UNL     1      12.263   1.938  -1.133  1.00  0.00           H  
HETATM  121  H   UNL     1      11.111  -1.988  -1.811  1.00  0.00           H  
HETATM  122  H   UNL     1      10.709  -2.847  -4.138  1.00  0.00           H  
HETATM  123  H   UNL     1      10.769  -1.170  -4.731  1.00  0.00           H  
HETATM  124  H   UNL     1      12.905  -2.232  -4.852  1.00  0.00           H  
HETATM  125  H   UNL     1       8.722  -0.797  -3.295  1.00  0.00           H  
HETATM  126  H   UNL     1       8.956  -3.170  -3.455  1.00  0.00           H  
HETATM  127  H   UNL     1       9.103  -1.470  -0.339  1.00  0.00           H  
HETATM  128  H   UNL     1       8.835   1.225  -1.752  1.00  0.00           H  
HETATM  129  H   UNL     1       9.243   1.985   0.479  1.00  0.00           H  
CONECT    1    6   22                                                 
CONECT    2   15   32                                                 
CONECT    3   14   68                                                 
CONECT    4   23   69                                                 
CONECT    5   13   70                                                 
CONECT    6    7   14    1   71                                       
CONECT    7    8    6                                                 
CONECT    8    9   11    7   72                                       
CONECT    9   10    8   73   74                                       
CONECT   10    9   75                                                 
CONECT   11   12    8   13   76                                       
CONECT   12   11   77                                                 
CONECT   13   11    5   14   78                                       
CONECT   14   13    6    3   79                                       
CONECT   15   16   23    2   80                                       
CONECT   16   17   15                                                 
CONECT   17   20   18   16   81                                       
CONECT   18   17   19   82   83                                       
CONECT   19   18   84                                                 
CONECT   20   21   17   22   85                                       
CONECT   21   20   86                                                 
CONECT   22   20    1   23   87                                       
CONECT   23   22   15    4   88                                       
CONECT   24   33   26   25   89                                       
CONECT   25   24   43                                                 
CONECT   26   27   24                                                 
CONECT   27   30   28   26   90                                       
CONECT   28   27   29   91   92                                       
CONECT   29   28   93                                                 
CONECT   30   31   32   27   94                                       
CONECT   31   30   95                                                 
CONECT   32    2   30   33   96                                       
CONECT   33   32   34   24   97                                       
CONECT   34   33   98                                                 
CONECT   35   44   36   37   99                                       
CONECT   36   35   54                                                 
CONECT   37   35   38                                                 
CONECT   38   41   37   39  100                                       
CONECT   39   38   40  101  102                                       
CONECT   40   39  103                                                 
CONECT   41   43   42   38  104                                       
CONECT   42   41  105                                                 
CONECT   43   44   25   41  106                                       
CONECT   44   45   43   35  107                                       
CONECT   45   44  108                                                 
CONECT   46   47   55   48  109                                       
CONECT   47   65   46                                                 
CONECT   48   46   49                                                 
CONECT   49   48   52   50  110                                       
CONECT   50   49   51  111  112                                       
CONECT   51   50  113                                                 
CONECT   52   54   49   53  114                                       
CONECT   53   52  115                                                 
CONECT   54   55   36   52  116                                       
CONECT   55   56   46   54  117                                       
CONECT   56   55  118                                                 
CONECT   57   58   66   59  119                                       
CONECT   58   57  120                                                 
CONECT   59   57   60                                                 
CONECT   60   59   61   63  121                                       
CONECT   61   62   60  122  123                                       
CONECT   62   61  124                                                 
CONECT   63   65   60   64  125                                       
CONECT   64   63  126                                                 
CONECT   65   66   47   63  127                                       
CONECT   66   67   57   65  128                                       
CONECT   67   66  129                                                 
CONECT   68    3                                                      
CONECT   69    4                                                      
CONECT   70    5                                                      
CONECT   71    6                                                      
CONECT   72    8                                                      
CONECT   73    9                                                      
CONECT   74    9                                                      
CONECT   75   10                                                      
CONECT   76   11                                                      
CONECT   77   12                                                      
CONECT   78   13                                                      
CONECT   79   14                                                      
CONECT   80   15                                                      
CONECT   81   17                                                      
CONECT   82   18                                                      
CONECT   83   18                                                      
CONECT   84   19                                                      
CONECT   85   20                                                      
CONECT   86   21                                                      
CONECT   87   22                                                      
CONECT   88   23                                                      
CONECT   89   24                                                      
CONECT   90   27                                                      
CONECT   91   28                                                      
CONECT   92   28                                                      
CONECT   93   29                                                      
CONECT   94   30                                                      
CONECT   95   31                                                      
CONECT   96   32                                                      
CONECT   97   33                                                      
CONECT   98   34                                                      
CONECT   99   35                                                      
CONECT  100   38                                                      
CONECT  101   39                                                      
CONECT  102   39                                                      
CONECT  103   40                                                      
CONECT  104   41                                                      
CONECT  105   42                                                      
CONECT  106   43                                                      
CONECT  107   44                                                      
CONECT  108   45                                                      
CONECT  109   46                                                      
CONECT  110   49                                                      
CONECT  111   50                                                      
CONECT  112   50                                                      
CONECT  113   51                                                      
CONECT  114   52                                                      
CONECT  115   53                                                      
CONECT  116   54                                                      
CONECT  117   55                                                      
CONECT  118   56                                                      
CONECT  119   57                                                      
CONECT  120   58                                                      
CONECT  121   60                                                      
CONECT  122   61                                                      
CONECT  123   61                                                      
CONECT  124   62                                                      
CONECT  125   63                                                      
CONECT  126   64                                                      
CONECT  127   65                                                      
CONECT  128   66                                                      
CONECT  129   67                                                      
MASTER        0    0    0    0    0    0    0    0  129    0  129    0
END
