COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -8.869   0.508  -2.890  1.00  0.00           O  
HETATM    2  C   UNL     1      -9.036   0.887  -1.755  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.740   0.000  -0.760  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.137  -1.312  -1.438  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.851  -2.213  -0.428  1.00  0.00           C  
HETATM    6  C   UNL     1     -11.248  -3.525  -1.106  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.962  -4.426  -0.096  1.00  0.00           C  
HETATM    8  C   UNL     1     -12.359  -5.738  -0.774  1.00  0.00           C  
HETATM    9  C   UNL     1     -13.074  -6.639   0.236  1.00  0.00           C  
HETATM   10  C   UNL     1     -13.471  -7.951  -0.442  1.00  0.00           C  
HETATM   11  C   UNL     1     -14.185  -8.851   0.568  1.00  0.00           C  
HETATM   12  C   UNL     1     -14.582 -10.164  -0.110  1.00  0.00           C  
HETATM   13  C   UNL     1     -15.297 -11.064   0.900  1.00  0.00           C  
HETATM   14  C   UNL     1     -15.693 -12.377   0.222  1.00  0.00           C  
HETATM   15  C   UNL     1     -14.433 -13.144  -0.183  1.00  0.00           C  
HETATM   16  C   UNL     1     -16.516 -13.225   1.194  1.00  0.00           C  
HETATM   17  O   UNL     1      -8.590   2.096  -1.378  1.00  0.00           O  
HETATM   18  C   UNL     1      -7.916   2.893  -2.388  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.482   4.227  -1.778  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.665   5.016  -2.804  1.00  0.00           C  
HETATM   21  O   UNL     1      -7.444   5.214  -3.985  1.00  0.00           O  
HETATM   22  C   UNL     1      -6.285   6.375  -2.207  1.00  0.00           C  
HETATM   23  O   UNL     1      -5.451   6.179  -1.063  1.00  0.00           O  
HETATM   24  C   UNL     1      -7.562   7.112  -1.790  1.00  0.00           C  
HETATM   25  O   UNL     1      -8.366   7.365  -2.944  1.00  0.00           O  
HETATM   26  O   UNL     1      -8.639   4.982  -1.410  1.00  0.00           O  
HETATM   27  C   UNL     1      -8.345   6.242  -0.803  1.00  0.00           C  
HETATM   28  O   UNL     1      -7.561   6.033   0.373  1.00  0.00           O  
HETATM   29  C   UNL     1      -8.317   5.602   1.507  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.384   6.648   1.835  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.992   4.266   1.192  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.384   5.432   2.707  1.00  0.00           C  
HETATM   33  O   UNL     1      -8.140   5.002   3.841  1.00  0.00           O  
HETATM   34  C   UNL     1      -6.332   4.402   2.385  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.039   4.738   2.406  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.050   3.770   2.103  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.457   2.361   1.755  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.734   4.112   2.125  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.753   3.151   1.824  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.431   3.495   1.846  1.00  0.00           C  
HETATM   41  C   UNL     1       0.546   2.538   1.546  1.00  0.00           C  
HETATM   42  C   UNL     1       0.139   1.129   1.199  1.00  0.00           C  
HETATM   43  C   UNL     1       1.880   2.884   1.569  1.00  0.00           C  
HETATM   44  C   UNL     1       2.856   1.929   1.269  1.00  0.00           C  
HETATM   45  C   UNL     1       4.192   2.276   1.292  1.00  0.00           C  
HETATM   46  C   UNL     1       5.167   1.322   0.993  1.00  0.00           C  
HETATM   47  C   UNL     1       4.760  -0.087   0.645  1.00  0.00           C  
HETATM   48  C   UNL     1       6.504   1.669   1.015  1.00  0.00           C  
HETATM   49  C   UNL     1       7.478   0.715   0.716  1.00  0.00           C  
HETATM   50  C   UNL     1       8.816   1.063   0.738  1.00  0.00           C  
HETATM   51  C   UNL     1       9.789   0.109   0.440  1.00  0.00           C  
HETATM   52  C   UNL     1      11.128   0.457   0.462  1.00  0.00           C  
HETATM   53  C   UNL     1      11.535   1.866   0.810  1.00  0.00           C  
HETATM   54  C   UNL     1      12.101  -0.496   0.163  1.00  0.00           C  
HETATM   55  C   UNL     1      13.440  -0.148   0.186  1.00  0.00           C  
HETATM   56  C   UNL     1      14.412  -1.101  -0.113  1.00  0.00           C  
HETATM   57  C   UNL     1      15.752  -0.753  -0.090  1.00  0.00           C  
HETATM   58  C   UNL     1      16.159   0.656   0.257  1.00  0.00           C  
HETATM   59  C   UNL     1      16.724  -1.706  -0.389  1.00  0.00           C  
HETATM   60  C   UNL     1      18.064  -1.357  -0.366  1.00  0.00           C  
HETATM   61  C   UNL     1      19.041  -2.335  -0.549  1.00  0.00           C  
HETATM   62  C   UNL     1      20.045  -2.184  -1.661  1.00  0.00           C  
HETATM   63  C   UNL     1      21.260  -1.407  -1.151  1.00  0.00           C  
HETATM   64  C   UNL     1      19.406  -1.424  -2.826  1.00  0.00           C  
HETATM   65  C   UNL     1      19.080  -3.426   0.296  1.00  0.00           C  
HETATM   66  C   UNL     1      18.064  -3.539   1.403  1.00  0.00           C  
HETATM   67  C   UNL     1      20.037  -4.423   0.146  1.00  0.00           C  
HETATM   68  O   UNL     1      20.041  -5.372   0.908  1.00  0.00           O  
HETATM   69  C   UNL     1      21.068  -4.342  -0.949  1.00  0.00           C  
HETATM   70  C   UNL     1      20.487  -3.570  -2.137  1.00  0.00           C  
HETATM   71  H   UNL     1      -9.072  -0.210   0.076  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.633   0.504  -0.393  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.804  -1.102  -2.273  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.243  -1.817  -1.805  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.183  -2.423   0.407  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.745  -1.709  -0.061  1.00  0.00           H  
HETATM   77  H   UNL     1     -11.916  -3.315  -1.941  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.354  -4.030  -1.473  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.294  -4.636   0.739  1.00  0.00           H  
HETATM   80  H   UNL     1     -12.856  -3.922   0.271  1.00  0.00           H  
HETATM   81  H   UNL     1     -13.027  -5.528  -1.610  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.465  -6.242  -1.141  1.00  0.00           H  
HETATM   83  H   UNL     1     -12.406  -6.849   1.071  1.00  0.00           H  
HETATM   84  H   UNL     1     -13.968  -6.135   0.603  1.00  0.00           H  
HETATM   85  H   UNL     1     -14.139  -7.741  -1.278  1.00  0.00           H  
HETATM   86  H   UNL     1     -12.577  -8.455  -0.810  1.00  0.00           H  
HETATM   87  H   UNL     1     -13.517  -9.062   1.403  1.00  0.00           H  
HETATM   88  H   UNL     1     -15.079  -8.347   0.935  1.00  0.00           H  
HETATM   89  H   UNL     1     -15.250  -9.954  -0.946  1.00  0.00           H  
HETATM   90  H   UNL     1     -13.688 -10.668  -0.478  1.00  0.00           H  
HETATM   91  H   UNL     1     -14.629 -11.274   1.735  1.00  0.00           H  
HETATM   92  H   UNL     1     -16.190 -10.560   1.267  1.00  0.00           H  
HETATM   93  H   UNL     1     -16.288 -12.162  -0.666  1.00  0.00           H  
HETATM   94  H   UNL     1     -14.716 -14.079  -0.666  1.00  0.00           H  
HETATM   95  H   UNL     1     -13.847 -12.540  -0.876  1.00  0.00           H  
HETATM   96  H   UNL     1     -13.838 -13.359   0.705  1.00  0.00           H  
HETATM   97  H   UNL     1     -17.414 -12.679   1.482  1.00  0.00           H  
HETATM   98  H   UNL     1     -16.799 -14.160   0.711  1.00  0.00           H  
HETATM   99  H   UNL     1     -15.921 -13.440   2.081  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.038   2.356  -2.749  1.00  0.00           H  
HETATM  101  H   UNL     1      -8.596   3.078  -3.219  1.00  0.00           H  
HETATM  102  H   UNL     1      -6.873   4.042  -0.893  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.760   4.462  -3.053  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.988   5.708  -4.679  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.751   6.964  -2.953  1.00  0.00           H  
HETATM  106  H   UNL     1      -5.173   7.000  -0.635  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.299   8.057  -1.315  1.00  0.00           H  
HETATM  108  H   UNL     1      -9.192   7.830  -2.754  1.00  0.00           H  
HETATM  109  H   UNL     1      -9.275   6.742  -0.536  1.00  0.00           H  
HETATM  110  H   UNL     1     -10.049   6.769   0.979  1.00  0.00           H  
HETATM  111  H   UNL     1      -9.961   6.320   2.699  1.00  0.00           H  
HETATM  112  H   UNL     1      -8.904   7.600   2.059  1.00  0.00           H  
HETATM  113  H   UNL     1      -8.234   3.533   0.916  1.00  0.00           H  
HETATM  114  H   UNL     1      -9.533   3.916   2.071  1.00  0.00           H  
HETATM  115  H   UNL     1      -9.689   4.397   0.364  1.00  0.00           H  
HETATM  116  H   UNL     1      -6.903   6.385   2.932  1.00  0.00           H  
HETATM  117  H   UNL     1      -8.596   4.159   3.712  1.00  0.00           H  
HETATM  118  H   UNL     1      -6.624   3.393   2.136  1.00  0.00           H  
HETATM  119  H   UNL     1      -4.747   5.748   2.655  1.00  0.00           H  
HETATM  120  H   UNL     1      -4.605   2.281   0.678  1.00  0.00           H  
HETATM  121  H   UNL     1      -3.673   1.669   2.066  1.00  0.00           H  
HETATM  122  H   UNL     1      -5.385   2.114   2.270  1.00  0.00           H  
HETATM  123  H   UNL     1      -2.442   5.121   2.374  1.00  0.00           H  
HETATM  124  H   UNL     1      -2.045   2.142   1.575  1.00  0.00           H  
HETATM  125  H   UNL     1      -0.140   4.504   2.095  1.00  0.00           H  
HETATM  126  H   UNL     1      -0.010   1.049   0.122  1.00  0.00           H  
HETATM  127  H   UNL     1       0.922   0.437   1.510  1.00  0.00           H  
HETATM  128  H   UNL     1       2.172   3.894   1.818  1.00  0.00           H  
HETATM  129  H   UNL     1       2.564   0.919   1.020  1.00  0.00           H  
HETATM  130  H   UNL     1       4.484   3.286   1.541  1.00  0.00           H  
HETATM  131  H   UNL     1       4.611  -0.167  -0.432  1.00  0.00           H  
HETATM  132  H   UNL     1       5.543  -0.779   0.956  1.00  0.00           H  
HETATM  133  H   UNL     1       3.831  -0.335   1.160  1.00  0.00           H  
HETATM  134  H   UNL     1       6.795   2.679   1.264  1.00  0.00           H  
HETATM  135  H   UNL     1       7.186  -0.294   0.467  1.00  0.00           H  
HETATM  136  H   UNL     1       9.107   2.072   0.988  1.00  0.00           H  
HETATM  137  H   UNL     1       9.498  -0.900   0.191  1.00  0.00           H  
HETATM  138  H   UNL     1      11.683   1.946   1.887  1.00  0.00           H  
HETATM  139  H   UNL     1      12.463   2.114   0.295  1.00  0.00           H  
HETATM  140  H   UNL     1      10.751   2.557   0.499  1.00  0.00           H  
HETATM  141  H   UNL     1      11.809  -1.505  -0.086  1.00  0.00           H  
HETATM  142  H   UNL     1      13.731   0.862   0.435  1.00  0.00           H  
HETATM  143  H   UNL     1      14.121  -2.110  -0.362  1.00  0.00           H  
HETATM  144  H   UNL     1      16.307   0.736   1.334  1.00  0.00           H  
HETATM  145  H   UNL     1      17.087   0.903  -0.257  1.00  0.00           H  
HETATM  146  H   UNL     1      15.375   1.347  -0.054  1.00  0.00           H  
HETATM  147  H   UNL     1      16.433  -2.715  -0.638  1.00  0.00           H  
HETATM  148  H   UNL     1      18.352  -0.329  -0.207  1.00  0.00           H  
HETATM  149  H   UNL     1      21.715  -1.949  -0.322  1.00  0.00           H  
HETATM  150  H   UNL     1      21.986  -1.298  -1.956  1.00  0.00           H  
HETATM  151  H   UNL     1      20.944  -0.421  -0.810  1.00  0.00           H  
HETATM  152  H   UNL     1      19.173  -0.407  -2.512  1.00  0.00           H  
HETATM  153  H   UNL     1      20.100  -1.395  -3.666  1.00  0.00           H  
HETATM  154  H   UNL     1      18.489  -1.929  -3.130  1.00  0.00           H  
HETATM  155  H   UNL     1      17.188  -4.077   1.039  1.00  0.00           H  
HETATM  156  H   UNL     1      18.500  -4.080   2.242  1.00  0.00           H  
HETATM  157  H   UNL     1      17.768  -2.541   1.727  1.00  0.00           H  
HETATM  158  H   UNL     1      21.951  -3.822  -0.579  1.00  0.00           H  
HETATM  159  H   UNL     1      21.343  -5.348  -1.265  1.00  0.00           H  
HETATM  160  H   UNL     1      19.626  -4.108  -2.536  1.00  0.00           H  
HETATM  161  H   UNL     1      21.246  -3.468  -2.912  1.00  0.00           H  
HETATM  162  H   UNL     1      -0.789   0.882   1.713  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   17    3                                       
CONECT    3    2   71   72    4                                       
CONECT    4    3   73   74    5                                       
CONECT    5    4   75   76    6                                       
CONECT    6    5   77   78    7                                       
CONECT    7    6   79   80    8                                       
CONECT    8    7   81   82    9                                       
CONECT    9    8   83   84   10                                       
CONECT   10    9   85   86   11                                       
CONECT   11   10   87   88   12                                       
CONECT   12   11   89   90   13                                       
CONECT   13   12   91   92   14                                       
CONECT   14   13   15   93   16                                       
CONECT   15   14   94   95   96                                       
CONECT   16   14   97   98   99                                       
CONECT   17    2   18                                                 
CONECT   18   17   19  100  101                                       
CONECT   19   18   26   20  102                                       
CONECT   20   19   22  103   21                                       
CONECT   21   20  104                                                 
CONECT   22   20   24   23  105                                       
CONECT   23   22  106                                                 
CONECT   24   22   25  107   27                                       
CONECT   25   24  108                                                 
CONECT   26   19   27                                                 
CONECT   27   26   24   28  109                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   31   32                                       
CONECT   30   29  110  111  112                                       
CONECT   31   29  113  114  115                                       
CONECT   32   29   33  116   34                                       
CONECT   33   32  117                                                 
CONECT   34   32  118   35   35                                       
CONECT   35   34   34  119   36                                       
CONECT   36   35   37   38   38                                       
CONECT   37   36  120  121  122                                       
CONECT   38   36   36  123   39                                       
CONECT   39   38  124   40   40                                       
CONECT   40   39   39  125   41                                       
CONECT   41   40   42   43   43                                       
CONECT   42   41  126  127  162                                       
CONECT   43   41   41  128   44                                       
CONECT   44   43  129   45   45                                       
CONECT   45   44   44  130   46                                       
CONECT   46   45   47   48   48                                       
CONECT   47   46  131  132  133                                       
CONECT   48   46   46  134   49                                       
CONECT   49   48   50   50  135                                       
CONECT   50   49   49  136   51                                       
CONECT   51   50   52   52  137                                       
CONECT   52   51   51   53   54                                       
CONECT   53   52  138  139  140                                       
CONECT   54   52  141   55   55                                       
CONECT   55   54   54  142   56                                       
CONECT   56   55  143   57   57                                       
CONECT   57   56   56   58   59                                       
CONECT   58   57  144  145  146                                       
CONECT   59   57  147   60   60                                       
CONECT   60   59   59  148   61                                       
CONECT   61   60   62   65   65                                       
CONECT   62   61   64   63   70                                       
CONECT   63   62  149  150  151                                       
CONECT   64   62  152  153  154                                       
CONECT   65   61   61   66   67                                       
CONECT   66   65  155  156  157                                       
CONECT   67   65   68   68   69                                       
CONECT   68   67   67                                                 
CONECT   69   67   70  158  159                                       
CONECT   70   69   62  160  161                                       
CONECT   71    3                                                      
CONECT   72    3                                                      
CONECT   73    4                                                      
CONECT   74    4                                                      
CONECT   75    5                                                      
CONECT   76    5                                                      
CONECT   77    6                                                      
CONECT   78    6                                                      
CONECT   79    7                                                      
CONECT   80    7                                                      
CONECT   81    8                                                      
CONECT   82    8                                                      
CONECT   83    9                                                      
CONECT   84    9                                                      
CONECT   85   10                                                      
CONECT   86   10                                                      
CONECT   87   11                                                      
CONECT   88   11                                                      
CONECT   89   12                                                      
CONECT   90   12                                                      
CONECT   91   13                                                      
CONECT   92   13                                                      
CONECT   93   14                                                      
CONECT   94   15                                                      
CONECT   95   15                                                      
CONECT   96   15                                                      
CONECT   97   16                                                      
CONECT   98   16                                                      
CONECT   99   16                                                      
CONECT  100   18                                                      
CONECT  101   18                                                      
CONECT  102   19                                                      
CONECT  103   20                                                      
CONECT  104   21                                                      
CONECT  105   22                                                      
CONECT  106   23                                                      
CONECT  107   24                                                      
CONECT  108   25                                                      
CONECT  109   27                                                      
CONECT  110   30                                                      
CONECT  111   30                                                      
CONECT  112   30                                                      
CONECT  113   31                                                      
CONECT  114   31                                                      
CONECT  115   31                                                      
CONECT  116   32                                                      
CONECT  117   33                                                      
CONECT  118   34                                                      
CONECT  119   35                                                      
CONECT  120   37                                                      
CONECT  121   37                                                      
CONECT  122   37                                                      
CONECT  123   38                                                      
CONECT  124   39                                                      
CONECT  125   40                                                      
CONECT  126   42                                                      
CONECT  127   42                                                      
CONECT  128   43                                                      
CONECT  129   44                                                      
CONECT  130   45                                                      
CONECT  131   47                                                      
CONECT  132   47                                                      
CONECT  133   47                                                      
CONECT  134   48                                                      
CONECT  135   49                                                      
CONECT  136   50                                                      
CONECT  137   51                                                      
CONECT  138   53                                                      
CONECT  139   53                                                      
CONECT  140   53                                                      
CONECT  141   54                                                      
CONECT  142   55                                                      
CONECT  143   56                                                      
CONECT  144   58                                                      
CONECT  145   58                                                      
CONECT  146   58                                                      
CONECT  147   59                                                      
CONECT  148   60                                                      
CONECT  149   63                                                      
CONECT  150   63                                                      
CONECT  151   63                                                      
CONECT  152   64                                                      
CONECT  153   64                                                      
CONECT  154   64                                                      
CONECT  155   66                                                      
CONECT  156   66                                                      
CONECT  157   66                                                      
CONECT  158   69                                                      
CONECT  159   69                                                      
CONECT  160   70                                                      
CONECT  161   70                                                      
CONECT  162   42                                                      
MASTER        0    0    0    0    0    0    0    0  162    0  162    0
END
