COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.324  -0.605   1.022  1.00  0.00           C  
HETATM    2  C   UNL     1       3.500   0.194   1.511  1.00  0.00           C  
HETATM    3  C   UNL     1       4.804  -0.466   1.035  1.00  0.00           C  
HETATM    4  C   UNL     1       5.991   0.362   1.533  1.00  0.00           C  
HETATM    5  C   UNL     1       5.972   0.437   3.059  1.00  0.00           C  
HETATM    6  C   UNL     1       4.671   1.107   3.532  1.00  0.00           C  
HETATM    7  C   UNL     1       2.610  -0.185   3.787  1.00  0.00           C  
HETATM    8  C   UNL     1       2.455   0.329   5.172  1.00  0.00           C  
HETATM    9  C   UNL     1       1.867  -0.528   6.272  1.00  0.00           C  
HETATM   10  C   UNL     1       2.532  -0.128   7.587  1.00  0.00           C  
HETATM   11  C   UNL     1       1.572   0.748   8.401  1.00  0.00           C  
HETATM   12  C   UNL     1       0.365  -0.153   8.707  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.254  -0.641   7.403  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.646   0.008   7.251  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.355  -0.656   6.070  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.519   0.210   5.580  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.606  -0.692   5.010  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.254  -0.135   3.764  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.634  -0.257   2.623  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.117   0.241   1.296  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.048  -0.031   0.258  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.510  -1.416   0.052  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.113  -1.364  -0.559  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.131  -0.634   0.347  1.00  0.00           C  
HETATM   25  C   UNL     1       0.259  -0.578  -0.282  1.00  0.00           C  
HETATM   26  C   UNL     1       0.229   0.264  -1.532  1.00  0.00           C  
HETATM   27  C   UNL     1       0.555  -0.262  -2.686  1.00  0.00           C  
HETATM   28  C   UNL     1       0.695   0.614  -3.903  1.00  0.00           C  
HETATM   29  C   UNL     1       2.062   0.377  -4.548  1.00  0.00           C  
HETATM   30  C   UNL     1       2.205   1.268  -5.783  1.00  0.00           C  
HETATM   31  C   UNL     1       1.102   0.928  -6.787  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.265   1.165  -6.143  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.407   0.274  -4.907  1.00  0.00           C  
HETATM   34  C   UNL     1       3.049  -1.342   8.347  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.004   1.199   4.536  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.611   0.513   3.892  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.358   1.749   1.314  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.017   2.176   0.001  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.029  -1.358   1.695  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.175   1.714  -1.454  1.00  0.00           C  
HETATM   41  C   UNL     1       0.418  -0.749  10.917  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.262   2.081   8.013  1.00  0.00           C  
HETATM   43  C   UNL     1       4.388   1.973  -5.784  1.00  0.00           C  
HETATM   44  C   UNL     1       0.665   1.089  -8.978  1.00  0.00           C  
HETATM   45  C   UNL     1      -0.658   1.342  -9.325  1.00  0.00           C  
HETATM   46  C   UNL     1       1.405   0.162  -9.686  1.00  0.00           C  
HETATM   47  C   UNL     1       0.814  -0.527 -10.746  1.00  0.00           C  
HETATM   48  C   UNL     1      -1.250   0.671 -10.372  1.00  0.00           C  
HETATM   49  C   UNL     1      -0.523  -0.269 -11.094  1.00  0.00           C  
HETATM   50  C   UNL     1       1.286  -1.550 -11.682  1.00  0.00           C  
HETATM   51  N   UNL     1      -0.829  -1.082 -12.165  1.00  0.00           N  
HETATM   52  C   UNL     1       0.261  -1.837 -12.500  1.00  0.00           C  
HETATM   53  C   UNL     1      -2.127  -1.130 -12.843  1.00  0.00           C  
HETATM   54  C   UNL     1      -3.015  -2.179 -12.170  1.00  0.00           C  
HETATM   55  N   UNL     1       3.543   0.332   2.968  1.00  0.00           N  
HETATM   56  O   UNL     1       1.201   0.021   0.640  1.00  0.00           O  
HETATM   57  O   UNL     1       2.395  -1.813   0.969  1.00  0.00           O  
HETATM   58  O   UNL     1       1.938  -1.132   3.416  1.00  0.00           O  
HETATM   59  O   UNL     1       2.765   1.470   5.428  1.00  0.00           O  
HETATM   60  O   UNL     1       0.490  -0.453   6.261  1.00  0.00           O  
HETATM   61  O   UNL     1       2.269  -1.892   6.001  1.00  0.00           O  
HETATM   62  O   UNL     1       0.656  -1.229   9.592  1.00  0.00           O  
HETATM   63  O   UNL     1      -1.481   1.407   7.024  1.00  0.00           O  
HETATM   64  O   UNL     1      -3.626   0.890  -0.409  1.00  0.00           O  
HETATM   65  O   UNL     1      -1.655  -2.693  -0.804  1.00  0.00           O  
HETATM   66  O   UNL     1       3.482   1.047  -6.386  1.00  0.00           O  
HETATM   67  O   UNL     1       1.235   1.760  -7.942  1.00  0.00           O  
HETATM   68  H   UNL     1       3.444   1.195   1.062  1.00  0.00           H  
HETATM   69  H   UNL     1       4.817  -0.508  -0.051  1.00  0.00           H  
HETATM   70  H   UNL     1       4.871  -1.475   1.442  1.00  0.00           H  
HETATM   71  H   UNL     1       5.932   1.367   1.118  1.00  0.00           H  
HETATM   72  H   UNL     1       6.918  -0.105   1.206  1.00  0.00           H  
HETATM   73  H   UNL     1       6.828   1.024   3.405  1.00  0.00           H  
HETATM   74  H   UNL     1       6.034  -0.569   3.473  1.00  0.00           H  
HETATM   75  H   UNL     1       4.634   2.132   3.170  1.00  0.00           H  
HETATM   76  H   UNL     1       4.637   1.089   4.619  1.00  0.00           H  
HETATM   77  H   UNL     1       3.419   0.495   7.335  1.00  0.00           H  
HETATM   78  H   UNL     1       2.048   1.079   9.336  1.00  0.00           H  
HETATM   79  H   UNL     1       1.267   1.634   7.835  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.397   0.475   9.220  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.448  -1.730   7.532  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.212  -0.150   8.167  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.729  -1.631   6.379  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.637  -0.793   5.257  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.918   0.769   6.431  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.385  -0.838   5.766  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.180  -1.669   4.761  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.693  -0.822   2.645  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.026  -0.277   1.011  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.180  -1.936  -0.658  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.517  -1.971   0.982  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.188  -0.840  -1.522  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.482   0.387   0.524  1.00  0.00           H  
HETATM   94  H   UNL     1       0.587  -1.582  -0.536  1.00  0.00           H  
HETATM   95  H   UNL     1       0.723  -1.326  -2.765  1.00  0.00           H  
HETATM   96  H   UNL     1       0.609   1.660  -3.609  1.00  0.00           H  
HETATM   97  H   UNL     1       2.848   0.620  -3.833  1.00  0.00           H  
HETATM   98  H   UNL     1       2.149  -0.668  -4.842  1.00  0.00           H  
HETATM   99  H   UNL     1       2.118   2.314  -5.489  1.00  0.00           H  
HETATM  100  H   UNL     1       1.188  -0.117  -7.082  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.051   0.922  -6.858  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.351   2.211  -5.848  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.320  -0.771  -5.201  1.00  0.00           H  
HETATM  104  H   UNL     1      -1.381   0.443  -4.448  1.00  0.00           H  
HETATM  105  H   UNL     1       3.515  -1.017   9.277  1.00  0.00           H  
HETATM  106  H   UNL     1       2.218  -2.011   8.571  1.00  0.00           H  
HETATM  107  H   UNL     1       3.783  -1.867   7.736  1.00  0.00           H  
HETATM  108  H   UNL     1      -3.827   1.826   4.193  1.00  0.00           H  
HETATM  109  H   UNL     1      -2.231   1.826   4.980  1.00  0.00           H  
HETATM  110  H   UNL     1      -2.588   0.652   3.691  1.00  0.00           H  
HETATM  111  H   UNL     1      -6.995   0.752   2.901  1.00  0.00           H  
HETATM  112  H   UNL     1      -7.296  -0.172   4.391  1.00  0.00           H  
HETATM  113  H   UNL     1      -6.522   1.428   4.478  1.00  0.00           H  
HETATM  114  H   UNL     1      -4.406   2.268   1.429  1.00  0.00           H  
HETATM  115  H   UNL     1      -6.012   2.003   2.149  1.00  0.00           H  
HETATM  116  H   UNL     1      -6.274   3.234   0.051  1.00  0.00           H  
HETATM  117  H   UNL     1      -5.325   2.009  -0.823  1.00  0.00           H  
HETATM  118  H   UNL     1      -6.922   1.590  -0.157  1.00  0.00           H  
HETATM  119  H   UNL     1      -2.014  -1.407   2.158  1.00  0.00           H  
HETATM  120  H   UNL     1      -0.651  -2.368   1.537  1.00  0.00           H  
HETATM  121  H   UNL     1      -0.347  -0.814   2.349  1.00  0.00           H  
HETATM  122  H   UNL     1      -0.234   2.129  -2.460  1.00  0.00           H  
HETATM  123  H   UNL     1      -1.148   1.793  -0.970  1.00  0.00           H  
HETATM  124  H   UNL     1       0.564   2.267  -0.875  1.00  0.00           H  
HETATM  125  H   UNL     1       0.628  -1.543  11.634  1.00  0.00           H  
HETATM  126  H   UNL     1       1.068   0.102  11.117  1.00  0.00           H  
HETATM  127  H   UNL     1      -0.622  -0.441  11.011  1.00  0.00           H  
HETATM  128  H   UNL     1      -2.239   3.154   7.825  1.00  0.00           H  
HETATM  129  H   UNL     1      -3.292   1.726   7.966  1.00  0.00           H  
HETATM  130  H   UNL     1      -1.852   1.876   9.002  1.00  0.00           H  
HETATM  131  H   UNL     1       5.381   1.842  -6.214  1.00  0.00           H  
HETATM  132  H   UNL     1       4.044   2.991  -5.969  1.00  0.00           H  
HETATM  133  H   UNL     1       4.431   1.794  -4.709  1.00  0.00           H  
HETATM  134  H   UNL     1      -1.227   2.072  -8.767  1.00  0.00           H  
HETATM  135  H   UNL     1       2.434  -0.029  -9.419  1.00  0.00           H  
HETATM  136  H   UNL     1      -2.278   0.876 -10.633  1.00  0.00           H  
HETATM  137  H   UNL     1       2.272  -1.990 -11.709  1.00  0.00           H  
HETATM  138  H   UNL     1       0.292  -2.558 -13.304  1.00  0.00           H  
HETATM  139  H   UNL     1      -2.606  -0.153 -12.779  1.00  0.00           H  
HETATM  140  H   UNL     1      -1.980  -1.395 -13.890  1.00  0.00           H  
HETATM  141  H   UNL     1      -3.980  -2.214 -12.674  1.00  0.00           H  
HETATM  142  H   UNL     1      -2.535  -3.155 -12.234  1.00  0.00           H  
HETATM  143  H   UNL     1      -3.161  -1.913 -11.123  1.00  0.00           H  
HETATM  144  H   UNL     1       1.918  -2.120   5.129  1.00  0.00           H  
HETATM  145  H   UNL     1      -2.308  -3.112  -1.381  1.00  0.00           H  
CONECT    1    2   56   57   57                                       
CONECT    2    1    3   55   68                                       
CONECT    3    2    4   69   70                                       
CONECT    4    3    5   71   72                                       
CONECT    5    4    6   73   74                                       
CONECT    6    5   55   75   76                                       
CONECT    7    8   55   58   58                                       
CONECT    8    7    9   59   59                                       
CONECT    9    8   10   60   61                                       
CONECT   10    9   11   34   77                                       
CONECT   11   10   12   78   79                                       
CONECT   12   11   13   62   80                                       
CONECT   13   12   14   60   81                                       
CONECT   14   13   15   63   82                                       
CONECT   15   14   16   83   84                                       
CONECT   16   15   17   35   85                                       
CONECT   17   16   18   86   87                                       
CONECT   18   17   19   19   36                                       
CONECT   19   18   18   20   88                                       
CONECT   20   19   21   37   89                                       
CONECT   21   20   22   64   64                                       
CONECT   22   21   23   90   91                                       
CONECT   23   22   24   65   92                                       
CONECT   24   23   25   39   93                                       
CONECT   25   24   26   56   94                                       
CONECT   26   25   27   27   40                                       
CONECT   27   26   26   28   95                                       
CONECT   28   27   29   33   96                                       
CONECT   29   28   30   97   98                                       
CONECT   30   29   31   66   99                                       
CONECT   31   30   32   67  100                                       
CONECT   32   31   33  101  102                                       
CONECT   33   28   32  103  104                                       
CONECT   34   10  105  106  107                                       
CONECT   35   16  108  109  110                                       
CONECT   36   18  111  112  113                                       
CONECT   37   20   38  114  115                                       
CONECT   38   37  116  117  118                                       
CONECT   39   24  119  120  121                                       
CONECT   40   26  122  123  124                                       
CONECT   41   62  125  126  127                                       
CONECT   42   63  128  129  130                                       
CONECT   43   66  131  132  133                                       
CONECT   44   45   45   46   67                                       
CONECT   45   44   44   48  134                                       
CONECT   46   44   47   47  135                                       
CONECT   47   46   46   49   50                                       
CONECT   48   45   49   49  136                                       
CONECT   49   47   48   48   51                                       
CONECT   50   47   52   52  137                                       
CONECT   51   49   52   53                                            
CONECT   52   50   50   51  138                                       
CONECT   53   51   54  139  140                                       
CONECT   54   53  141  142  143                                       
CONECT   55    2    6    7                                            
CONECT   56    1   25                                                 
CONECT   57    1    1                                                 
CONECT   58    7    7                                                 
CONECT   59    8    8                                                 
CONECT   60    9   13                                                 
CONECT   61    9  144                                                 
CONECT   62   12   41                                                 
CONECT   63   14   42                                                 
CONECT   64   21   21                                                 
CONECT   65   23  145                                                 
CONECT   66   30   43                                                 
CONECT   67   31   44                                                 
CONECT   68    2                                                      
CONECT   69    3                                                      
CONECT   70    3                                                      
CONECT   71    4                                                      
CONECT   72    4                                                      
CONECT   73    5                                                      
CONECT   74    5                                                      
CONECT   75    6                                                      
CONECT   76    6                                                      
CONECT   77   10                                                      
CONECT   78   11                                                      
CONECT   79   11                                                      
CONECT   80   12                                                      
CONECT   81   13                                                      
CONECT   82   14                                                      
CONECT   83   15                                                      
CONECT   84   15                                                      
CONECT   85   16                                                      
CONECT   86   17                                                      
CONECT   87   17                                                      
CONECT   88   19                                                      
CONECT   89   20                                                      
CONECT   90   22                                                      
CONECT   91   22                                                      
CONECT   92   23                                                      
CONECT   93   24                                                      
CONECT   94   25                                                      
CONECT   95   27                                                      
CONECT   96   28                                                      
CONECT   97   29                                                      
CONECT   98   29                                                      
CONECT   99   30                                                      
CONECT  100   31                                                      
CONECT  101   32                                                      
CONECT  102   32                                                      
CONECT  103   33                                                      
CONECT  104   33                                                      
CONECT  105   34                                                      
CONECT  106   34                                                      
CONECT  107   34                                                      
CONECT  108   35                                                      
CONECT  109   35                                                      
CONECT  110   35                                                      
CONECT  111   36                                                      
CONECT  112   36                                                      
CONECT  113   36                                                      
CONECT  114   37                                                      
CONECT  115   37                                                      
CONECT  116   38                                                      
CONECT  117   38                                                      
CONECT  118   38                                                      
CONECT  119   39                                                      
CONECT  120   39                                                      
CONECT  121   39                                                      
CONECT  122   40                                                      
CONECT  123   40                                                      
CONECT  124   40                                                      
CONECT  125   41                                                      
CONECT  126   41                                                      
CONECT  127   41                                                      
CONECT  128   42                                                      
CONECT  129   42                                                      
CONECT  130   42                                                      
CONECT  131   43                                                      
CONECT  132   43                                                      
CONECT  133   43                                                      
CONECT  134   45                                                      
CONECT  135   46                                                      
CONECT  136   48                                                      
CONECT  137   50                                                      
CONECT  138   52                                                      
CONECT  139   53                                                      
CONECT  140   53                                                      
CONECT  141   54                                                      
CONECT  142   54                                                      
CONECT  143   54                                                      
CONECT  144   61                                                      
CONECT  145   65                                                      
MASTER        0    0    0    0    0    0    0    0  145    0  145    0
END
