COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.241  -0.772  -3.657  1.00  0.00           C  
HETATM    2  C   UNL     1       1.990  -1.953  -3.095  1.00  0.00           C  
HETATM    3  C   UNL     1       3.271  -2.175  -3.902  1.00  0.00           C  
HETATM    4  C   UNL     1       4.032  -3.373  -3.331  1.00  0.00           C  
HETATM    5  C   UNL     1       5.293  -3.592  -4.126  1.00  0.00           C  
HETATM    6  C   UNL     1       6.446  -3.686  -3.512  1.00  0.00           C  
HETATM    7  C   UNL     1       6.496  -3.738  -2.006  1.00  0.00           C  
HETATM    8  C   UNL     1       7.280  -4.950  -1.572  1.00  0.00           C  
HETATM    9  C   UNL     1       8.269  -4.821  -0.723  1.00  0.00           C  
HETATM   10  C   UNL     1       8.522  -3.493  -0.057  1.00  0.00           C  
HETATM   11  C   UNL     1       8.561  -3.681   1.438  1.00  0.00           C  
HETATM   12  C   UNL     1       9.590  -3.250   2.125  1.00  0.00           C  
HETATM   13  C   UNL     1      10.649  -2.415   1.452  1.00  0.00           C  
HETATM   14  C   UNL     1      10.851  -1.139   2.228  1.00  0.00           C  
HETATM   15  C   UNL     1      12.050  -0.799   2.630  1.00  0.00           C  
HETATM   16  C   UNL     1      13.249  -1.595   2.181  1.00  0.00           C  
HETATM   17  C   UNL     1      14.281  -0.663   1.600  1.00  0.00           C  
HETATM   18  C   UNL     1      15.451  -0.540   2.175  1.00  0.00           C  
HETATM   19  O   UNL     1       1.683  -0.174  -4.608  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.115   0.209  -3.083  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.126  -0.894  -3.258  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.537  -0.308  -3.184  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.564  -1.428  -3.362  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.976  -0.842  -3.288  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.988  -1.945  -3.463  1.00  0.00           C  
HETATM   26  C   UNL     1     -10.953  -2.094  -2.590  1.00  0.00           C  
HETATM   27  C   UNL     1     -11.150  -1.068  -1.504  1.00  0.00           C  
HETATM   28  C   UNL     1     -12.576  -0.580  -1.527  1.00  0.00           C  
HETATM   29  C   UNL     1     -13.291  -0.594  -0.429  1.00  0.00           C  
HETATM   30  C   UNL     1     -12.640  -0.919   0.890  1.00  0.00           C  
HETATM   31  C   UNL     1     -12.968   0.158   1.892  1.00  0.00           C  
HETATM   32  C   UNL     1     -13.469  -0.164   3.059  1.00  0.00           C  
HETATM   33  C   UNL     1     -13.542  -1.610   3.475  1.00  0.00           C  
HETATM   34  C   UNL     1     -12.907  -1.776   4.831  1.00  0.00           C  
HETATM   35  C   UNL     1     -13.562  -2.378   5.792  1.00  0.00           C  
HETATM   36  C   UNL     1     -14.869  -3.069   5.496  1.00  0.00           C  
HETATM   37  C   UNL     1     -14.818  -4.504   6.024  1.00  0.00           C  
HETATM   38  O   UNL     1      -4.484   1.348  -2.917  1.00  0.00           O  
HETATM   39  O   UNL     1       0.079  -0.389  -3.103  1.00  0.00           O  
HETATM   40  C   UNL     1      -0.588   0.756  -3.697  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.885   1.040  -2.937  1.00  0.00           C  
HETATM   42  O   UNL     1      -2.802  -0.072  -3.113  1.00  0.00           O  
HETATM   43  C   UNL     1      -1.577   1.217  -1.449  1.00  0.00           C  
HETATM   44  O   UNL     1      -0.875   0.069  -0.968  1.00  0.00           O  
HETATM   45  C   UNL     1      -0.538   0.133   0.419  1.00  0.00           C  
HETATM   46  C   UNL     1       0.095  -1.192   0.852  1.00  0.00           C  
HETATM   47  O   UNL     1      -0.853  -2.249   0.692  1.00  0.00           O  
HETATM   48  C   UNL     1       0.509  -1.095   2.323  1.00  0.00           C  
HETATM   49  O   UNL     1       1.167  -2.301   2.716  1.00  0.00           O  
HETATM   50  C   UNL     1       1.465   0.090   2.496  1.00  0.00           C  
HETATM   51  O   UNL     1       2.653  -0.140   1.736  1.00  0.00           O  
HETATM   52  C   UNL     1       0.779   1.365   2.000  1.00  0.00           C  
HETATM   53  O   UNL     1       1.073   3.752   1.760  1.00  0.00           O  
HETATM   54  C   UNL     1       1.749   2.543   2.113  1.00  0.00           C  
HETATM   55  O   UNL     1       0.392   1.196   0.634  1.00  0.00           O  
HETATM   56  C   UNL     1       1.894   4.919   1.834  1.00  0.00           C  
HETATM   57  C   UNL     1       1.021   6.168   1.682  1.00  0.00           C  
HETATM   58  O   UNL     1       0.015   6.173   2.697  1.00  0.00           O  
HETATM   59  C   UNL     1       0.357   6.153   0.302  1.00  0.00           C  
HETATM   60  O   UNL     1      -0.402   7.351   0.124  1.00  0.00           O  
HETATM   61  C   UNL     1       1.444   6.069  -0.774  1.00  0.00           C  
HETATM   62  O   UNL     1       2.266   7.236  -0.714  1.00  0.00           O  
HETATM   63  C   UNL     1       2.300   4.824  -0.528  1.00  0.00           C  
HETATM   64  O   UNL     1       2.863   4.887   0.784  1.00  0.00           O  
HETATM   65  C   UNL     1       3.425   4.766  -1.564  1.00  0.00           C  
HETATM   66  O   UNL     1       4.153   3.547  -1.408  1.00  0.00           O  
HETATM   67  C   UNL     1      15.703  -1.182   3.516  1.00  0.00           C  
HETATM   68  C   UNL     1      16.810  -2.228   3.381  1.00  0.00           C  
HETATM   69  H   UNL     1       2.246  -1.758  -2.053  1.00  0.00           H  
HETATM   70  H   UNL     1       1.364  -2.843  -3.155  1.00  0.00           H  
HETATM   71  H   UNL     1       3.015  -2.369  -4.943  1.00  0.00           H  
HETATM   72  H   UNL     1       3.897  -1.285  -3.842  1.00  0.00           H  
HETATM   73  H   UNL     1       4.288  -3.179  -2.289  1.00  0.00           H  
HETATM   74  H   UNL     1       3.405  -4.264  -3.391  1.00  0.00           H  
HETATM   75  H   UNL     1       5.247  -3.672  -5.202  1.00  0.00           H  
HETATM   76  H   UNL     1       7.362  -3.725  -4.084  1.00  0.00           H  
HETATM   77  H   UNL     1       6.980  -2.838  -1.627  1.00  0.00           H  
HETATM   78  H   UNL     1       5.483  -3.800  -1.611  1.00  0.00           H  
HETATM   79  H   UNL     1       7.025  -5.925  -1.960  1.00  0.00           H  
HETATM   80  H   UNL     1       8.904  -5.666  -0.501  1.00  0.00           H  
HETATM   81  H   UNL     1       9.476  -3.092  -0.398  1.00  0.00           H  
HETATM   82  H   UNL     1       7.722  -2.799  -0.315  1.00  0.00           H  
HETATM   83  H   UNL     1       7.742  -4.170   1.942  1.00  0.00           H  
HETATM   84  H   UNL     1       9.679  -3.493   3.173  1.00  0.00           H  
HETATM   85  H   UNL     1      11.586  -2.973   1.421  1.00  0.00           H  
HETATM   86  H   UNL     1      10.334  -2.177   0.437  1.00  0.00           H  
HETATM   87  H   UNL     1      10.006  -0.504   2.452  1.00  0.00           H  
HETATM   88  H   UNL     1      12.180   0.051   3.284  1.00  0.00           H  
HETATM   89  H   UNL     1      13.675  -2.122   3.035  1.00  0.00           H  
HETATM   90  H   UNL     1      12.943  -2.317   1.424  1.00  0.00           H  
HETATM   91  H   UNL     1      14.055  -0.097   0.708  1.00  0.00           H  
HETATM   92  H   UNL     1      16.236   0.021   1.689  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.981  -1.370  -4.228  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.998  -1.633  -2.468  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.683   0.168  -2.215  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.666   0.432  -3.975  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.419  -1.904  -4.332  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.436  -2.167  -2.572  1.00  0.00           H  
HETATM   99  H   UNL     1      -9.122  -0.366  -2.318  1.00  0.00           H  
HETATM  100  H   UNL     1      -9.104  -0.103  -4.079  1.00  0.00           H  
HETATM  101  H   UNL     1      -9.917  -2.614  -4.309  1.00  0.00           H  
HETATM  102  H   UNL     1     -11.607  -2.951  -2.649  1.00  0.00           H  
HETATM  103  H   UNL     1     -10.936  -1.519  -0.535  1.00  0.00           H  
HETATM  104  H   UNL     1     -10.476  -0.228  -1.670  1.00  0.00           H  
HETATM  105  H   UNL     1     -13.008  -0.218  -2.448  1.00  0.00           H  
HETATM  106  H   UNL     1     -14.347  -0.373  -0.470  1.00  0.00           H  
HETATM  107  H   UNL     1     -13.011  -1.878   1.252  1.00  0.00           H  
HETATM  108  H   UNL     1     -11.559  -0.975   0.758  1.00  0.00           H  
HETATM  109  H   UNL     1     -12.792   1.195   1.647  1.00  0.00           H  
HETATM  110  H   UNL     1     -13.829   0.608   3.723  1.00  0.00           H  
HETATM  111  H   UNL     1     -14.585  -1.923   3.521  1.00  0.00           H  
HETATM  112  H   UNL     1     -13.011  -2.225   2.747  1.00  0.00           H  
HETATM  113  H   UNL     1     -11.911  -1.398   5.011  1.00  0.00           H  
HETATM  114  H   UNL     1     -13.167  -2.380   6.797  1.00  0.00           H  
HETATM  115  H   UNL     1     -15.682  -2.531   5.982  1.00  0.00           H  
HETATM  116  H   UNL     1     -15.035  -3.084   4.418  1.00  0.00           H  
HETATM  117  H   UNL     1     -14.652  -4.489   7.101  1.00  0.00           H  
HETATM  118  H   UNL     1     -15.763  -5.003   5.809  1.00  0.00           H  
HETATM  119  H   UNL     1     -14.005  -5.042   5.538  1.00  0.00           H  
HETATM  120  H   UNL     1       0.065   1.627  -3.639  1.00  0.00           H  
HETATM  121  H   UNL     1      -0.817   0.542  -4.740  1.00  0.00           H  
HETATM  122  H   UNL     1      -2.341   1.951  -3.325  1.00  0.00           H  
HETATM  123  H   UNL     1      -0.961   2.105  -1.309  1.00  0.00           H  
HETATM  124  H   UNL     1      -2.510   1.331  -0.896  1.00  0.00           H  
HETATM  125  H   UNL     1      -1.439   0.314   1.004  1.00  0.00           H  
HETATM  126  H   UNL     1       0.974  -1.394   0.239  1.00  0.00           H  
HETATM  127  H   UNL     1      -1.163  -2.365  -0.217  1.00  0.00           H  
HETATM  128  H   UNL     1      -0.376  -0.944   2.942  1.00  0.00           H  
HETATM  129  H   UNL     1       0.621  -3.094   2.626  1.00  0.00           H  
HETATM  130  H   UNL     1       1.722   0.200   3.550  1.00  0.00           H  
HETATM  131  H   UNL     1       3.137  -0.937   1.994  1.00  0.00           H  
HETATM  132  H   UNL     1      -0.105   1.562   2.606  1.00  0.00           H  
HETATM  133  H   UNL     1       2.113   2.616   3.138  1.00  0.00           H  
HETATM  134  H   UNL     1       2.591   2.387   1.439  1.00  0.00           H  
HETATM  135  H   UNL     1       2.403   4.946   2.797  1.00  0.00           H  
HETATM  136  H   UNL     1       1.641   7.059   1.780  1.00  0.00           H  
HETATM  137  H   UNL     1       0.365   6.177   3.598  1.00  0.00           H  
HETATM  138  H   UNL     1      -0.303   5.288   0.225  1.00  0.00           H  
HETATM  139  H   UNL     1      -1.105   7.472   0.777  1.00  0.00           H  
HETATM  140  H   UNL     1       0.978   6.002  -1.757  1.00  0.00           H  
HETATM  141  H   UNL     1       1.786   8.063  -0.857  1.00  0.00           H  
HETATM  142  H   UNL     1       1.679   3.933  -0.615  1.00  0.00           H  
HETATM  143  H   UNL     1       2.998   4.809  -2.566  1.00  0.00           H  
HETATM  144  H   UNL     1       4.097   5.612  -1.418  1.00  0.00           H  
HETATM  145  H   UNL     1       4.883   3.442  -2.033  1.00  0.00           H  
HETATM  146  H   UNL     1      16.009  -0.419   4.232  1.00  0.00           H  
HETATM  147  H   UNL     1      14.789  -1.663   3.865  1.00  0.00           H  
HETATM  148  H   UNL     1      16.504  -2.991   2.664  1.00  0.00           H  
HETATM  149  H   UNL     1      17.724  -1.747   3.031  1.00  0.00           H  
HETATM  150  H   UNL     1      16.992  -2.692   4.350  1.00  0.00           H  
CONECT    1   19   19    2   39                                       
CONECT    2    3    1   69   70                                       
CONECT    3    4    2   71   72                                       
CONECT    4    5    3   73   74                                       
CONECT    5    6    6    4   75                                       
CONECT    6    5    5    7   76                                       
CONECT    7    6    8   77   78                                       
CONECT    8    7    9    9   79                                       
CONECT    9   10    8    8   80                                       
CONECT   10    9   11   81   82                                       
CONECT   11   10   12   12   83                                       
CONECT   12   13   11   11   84                                       
CONECT   13   14   12   85   86                                       
CONECT   14   13   15   15   87                                       
CONECT   15   16   14   14   88                                       
CONECT   16   17   15   89   90                                       
CONECT   17   18   18   16   91                                       
CONECT   18   67   17   17   92                                       
CONECT   19    1    1                                                 
CONECT   20   42   38   38   21                                       
CONECT   21   20   22   93   94                                       
CONECT   22   23   21   95   96                                       
CONECT   23   24   22   97   98                                       
CONECT   24   25   23   99  100                                       
CONECT   25   26   26   24  101                                       
CONECT   26   27   25   25  102                                       
CONECT   27   26   28  103  104                                       
CONECT   28   27   29   29  105                                       
CONECT   29   30   28   28  106                                       
CONECT   30   31   29  107  108                                       
CONECT   31   32   32   30  109                                       
CONECT   32   31   31   33  110                                       
CONECT   33   34   32  111  112                                       
CONECT   34   35   35   33  113                                       
CONECT   35   36   34   34  114                                       
CONECT   36   37   35  115  116                                       
CONECT   37   36  117  118  119                                       
CONECT   38   20   20                                                 
CONECT   39    1   40                                                 
CONECT   40   39   41  120  121                                       
CONECT   41   40   43   42  122                                       
CONECT   42   41   20                                                 
CONECT   43   41   44  123  124                                       
CONECT   44   43   45                                                 
CONECT   45   55   44   46  125                                       
CONECT   46   45   48   47  126                                       
CONECT   47   46  127                                                 
CONECT   48   50   46   49  128                                       
CONECT   49   48  129                                                 
CONECT   50   52   51   48  130                                       
CONECT   51   50  131                                                 
CONECT   52   54   55   50  132                                       
CONECT   53   56   54                                                 
CONECT   54   53   52  133  134                                       
CONECT   55   52   45                                                 
CONECT   56   64   53   57  135                                       
CONECT   57   56   59   58  136                                       
CONECT   58   57  137                                                 
CONECT   59   61   60   57  138                                       
CONECT   60   59  139                                                 
CONECT   61   63   62   59  140                                       
CONECT   62   61  141                                                 
CONECT   63   65   61   64  142                                       
CONECT   64   63   56                                                 
CONECT   65   66   63  143  144                                       
CONECT   66   65  145                                                 
CONECT   67   18   68  146  147                                       
CONECT   68   67  148  149  150                                       
CONECT   69    2                                                      
CONECT   70    2                                                      
CONECT   71    3                                                      
CONECT   72    3                                                      
CONECT   73    4                                                      
CONECT   74    4                                                      
CONECT   75    5                                                      
CONECT   76    6                                                      
CONECT   77    7                                                      
CONECT   78    7                                                      
CONECT   79    8                                                      
CONECT   80    9                                                      
CONECT   81   10                                                      
CONECT   82   10                                                      
CONECT   83   11                                                      
CONECT   84   12                                                      
CONECT   85   13                                                      
CONECT   86   13                                                      
CONECT   87   14                                                      
CONECT   88   15                                                      
CONECT   89   16                                                      
CONECT   90   16                                                      
CONECT   91   17                                                      
CONECT   92   18                                                      
CONECT   93   21                                                      
CONECT   94   21                                                      
CONECT   95   22                                                      
CONECT   96   22                                                      
CONECT   97   23                                                      
CONECT   98   23                                                      
CONECT   99   24                                                      
CONECT  100   24                                                      
CONECT  101   25                                                      
CONECT  102   26                                                      
CONECT  103   27                                                      
CONECT  104   27                                                      
CONECT  105   28                                                      
CONECT  106   29                                                      
CONECT  107   30                                                      
CONECT  108   30                                                      
CONECT  109   31                                                      
CONECT  110   32                                                      
CONECT  111   33                                                      
CONECT  112   33                                                      
CONECT  113   34                                                      
CONECT  114   35                                                      
CONECT  115   36                                                      
CONECT  116   36                                                      
CONECT  117   37                                                      
CONECT  118   37                                                      
CONECT  119   37                                                      
CONECT  120   40                                                      
CONECT  121   40                                                      
CONECT  122   41                                                      
CONECT  123   43                                                      
CONECT  124   43                                                      
CONECT  125   45                                                      
CONECT  126   46                                                      
CONECT  127   47                                                      
CONECT  128   48                                                      
CONECT  129   49                                                      
CONECT  130   50                                                      
CONECT  131   51                                                      
CONECT  132   52                                                      
CONECT  133   54                                                      
CONECT  134   54                                                      
CONECT  135   56                                                      
CONECT  136   57                                                      
CONECT  137   58                                                      
CONECT  138   59                                                      
CONECT  139   60                                                      
CONECT  140   61                                                      
CONECT  141   62                                                      
CONECT  142   63                                                      
CONECT  143   65                                                      
CONECT  144   65                                                      
CONECT  145   66                                                      
CONECT  146   67                                                      
CONECT  147   67                                                      
CONECT  148   68                                                      
CONECT  149   68                                                      
CONECT  150   68                                                      
MASTER        0    0    0    0    0    0    0    0  150    0  150    0
END
