COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.895   1.760   2.518  1.00  0.00           O  
HETATM    2  C   UNL     1       2.323   0.863   3.410  1.00  0.00           C  
HETATM    3  O   UNL     1       2.549  -0.280   3.080  1.00  0.00           O  
HETATM    4  C   UNL     1       2.554   1.287   4.836  1.00  0.00           C  
HETATM    5  C   UNL     1       3.837   0.618   5.356  1.00  0.00           C  
HETATM    6  C   UNL     1       4.060   1.060   6.805  1.00  0.00           C  
HETATM    7  C   UNL     1       2.883   0.578   7.658  1.00  0.00           C  
HETATM    8  C   UNL     1       1.588   1.220   7.147  1.00  0.00           C  
HETATM    9  N   UNL     1       1.440   0.897   5.715  1.00  0.00           N  
HETATM   10  C   UNL     1       0.335   0.298   5.245  1.00  0.00           C  
HETATM   11  O   UNL     1       0.307  -0.133   4.107  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.908   0.173   6.060  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.054   0.790   7.082  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.018  -0.736   5.579  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.761  -1.314   6.784  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.890  -2.222   6.272  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.774  -1.394   5.330  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.903  -0.812   4.214  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.900   0.030   4.768  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.454  -1.806   4.819  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.801  -2.154   7.635  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.783  -2.232   4.761  1.00  0.00           O  
HETATM   23  C   UNL     1      -6.913  -2.168   5.633  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.788   0.038   3.289  1.00  0.00           C  
HETATM   25  O   UNL     1      -5.011   1.300   3.955  1.00  0.00           O  
HETATM   26  C   UNL     1      -6.291   1.771   3.530  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.065   0.319   1.986  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.408  -0.587   0.819  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.704  -1.366   1.007  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.535   0.263  -0.452  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.467  -0.113  -1.450  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.456  -1.505  -2.024  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.576   0.781  -1.799  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.487   0.500  -2.793  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.041   0.626  -4.217  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.378   1.515  -2.626  1.00  0.00           C  
HETATM   37  O   UNL     1      -0.358   2.496  -3.329  1.00  0.00           O  
HETATM   38  C   UNL     1       0.695   1.305  -1.589  1.00  0.00           C  
HETATM   39  C   UNL     1       1.173   2.666  -1.086  1.00  0.00           C  
HETATM   40  O   UNL     1       2.441   2.989  -1.655  1.00  0.00           O  
HETATM   41  C   UNL     1       1.217   2.739   0.428  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.203   2.927   0.977  1.00  0.00           C  
HETATM   43  C   UNL     1       1.844   1.510   1.087  1.00  0.00           C  
HETATM   44  C   UNL     1       3.248   1.304   0.581  1.00  0.00           C  
HETATM   45  C   UNL     1       4.273   2.397   0.738  1.00  0.00           C  
HETATM   46  C   UNL     1       3.578   0.175   0.004  1.00  0.00           C  
HETATM   47  C   UNL     1       5.020  -0.109  -0.325  1.00  0.00           C  
HETATM   48  C   UNL     1       5.419  -1.466   0.257  1.00  0.00           C  
HETATM   49  C   UNL     1       6.883  -1.755  -0.077  1.00  0.00           C  
HETATM   50  C   UNL     1       7.063  -1.780  -1.596  1.00  0.00           C  
HETATM   51  C   UNL     1       6.665  -0.423  -2.179  1.00  0.00           C  
HETATM   52  C   UNL     1       5.200  -0.134  -1.844  1.00  0.00           C  
HETATM   53  O   UNL     1       7.255  -3.023   0.467  1.00  0.00           O  
HETATM   54  C   UNL     1       8.650  -2.949   0.769  1.00  0.00           C  
HETATM   55  O   UNL     1       8.431  -2.050  -1.909  1.00  0.00           O  
HETATM   56  C   UNL     1      -0.983   0.159  -5.218  1.00  0.00           C  
HETATM   57  O   UNL     1      -1.548   0.162  -6.556  1.00  0.00           O  
HETATM   58  C   UNL     1      -0.794  -0.214  -7.606  1.00  0.00           C  
HETATM   59  O   UNL     1       0.358  -0.557  -7.434  1.00  0.00           O  
HETATM   60  N   UNL     1      -1.319  -0.211  -8.847  1.00  0.00           N  
HETATM   61  C   UNL     1      -0.499  -0.622  -9.990  1.00  0.00           C  
HETATM   62  C   UNL     1      -1.315  -0.529 -11.253  1.00  0.00           C  
HETATM   63  C   UNL     1      -1.331   0.644 -11.982  1.00  0.00           C  
HETATM   64  C   UNL     1      -2.079   0.729 -13.141  1.00  0.00           C  
HETATM   65  C   UNL     1      -2.813  -0.360 -13.571  1.00  0.00           C  
HETATM   66  C   UNL     1      -2.796  -1.535 -12.843  1.00  0.00           C  
HETATM   67  C   UNL     1      -2.044  -1.621 -11.687  1.00  0.00           C  
HETATM   68  H   UNL     1       2.676   2.370   4.878  1.00  0.00           H  
HETATM   69  H   UNL     1       3.720  -0.465   5.321  1.00  0.00           H  
HETATM   70  H   UNL     1       4.681   0.921   4.744  1.00  0.00           H  
HETATM   71  H   UNL     1       4.985   0.622   7.179  1.00  0.00           H  
HETATM   72  H   UNL     1       4.124   2.147   6.849  1.00  0.00           H  
HETATM   73  H   UNL     1       2.802  -0.507   7.582  1.00  0.00           H  
HETATM   74  H   UNL     1       3.046   0.858   8.697  1.00  0.00           H  
HETATM   75  H   UNL     1       0.754   0.820   7.721  1.00  0.00           H  
HETATM   76  H   UNL     1       1.636   2.302   7.274  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.181  -0.513   7.388  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.486  -2.579   7.112  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.469  -3.070   5.732  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.243  -0.583   5.885  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.452  -1.614   3.639  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.743  -2.184   5.355  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.343  -2.582   8.479  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.383  -2.956   7.027  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.995  -1.521   8.005  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.713  -2.794   5.238  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.628  -2.524   6.623  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.260  -1.137   5.704  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.752  -0.426   3.185  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.504   2.726   4.009  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.289   1.900   2.447  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.056   1.046   3.808  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.253   1.364   1.693  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.977   0.247   2.169  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.588  -1.303   0.675  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.882  -1.991   0.133  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.624  -1.995   1.894  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.532  -0.668   1.130  1.00  0.00           H  
HETATM   99  H   UNL     1      -5.517   0.101  -0.895  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.430   1.315  -0.191  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.579  -1.628  -2.660  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.422  -2.232  -1.213  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.358  -1.661  -2.615  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.632   1.767  -1.344  1.00  0.00           H  
HETATM  105  H   UNL     1      -1.070  -0.491  -2.648  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.933   0.008  -4.316  1.00  0.00           H  
HETATM  107  H   UNL     1      -2.296   1.667  -4.417  1.00  0.00           H  
HETATM  108  H   UNL     1       0.289   0.718  -0.769  1.00  0.00           H  
HETATM  109  H   UNL     1       1.528   0.771  -2.045  1.00  0.00           H  
HETATM  110  H   UNL     1       0.453   3.426  -1.440  1.00  0.00           H  
HETATM  111  H   UNL     1       2.320   3.008  -2.614  1.00  0.00           H  
HETATM  112  H   UNL     1       1.806   3.617   0.724  1.00  0.00           H  
HETATM  113  H   UNL     1      -0.626   3.851   0.583  1.00  0.00           H  
HETATM  114  H   UNL     1      -0.824   2.085   0.674  1.00  0.00           H  
HETATM  115  H   UNL     1      -0.167   2.979   2.065  1.00  0.00           H  
HETATM  116  H   UNL     1       1.245   0.626   0.891  1.00  0.00           H  
HETATM  117  H   UNL     1       5.190   2.113   0.221  1.00  0.00           H  
HETATM  118  H   UNL     1       3.887   3.322   0.309  1.00  0.00           H  
HETATM  119  H   UNL     1       4.485   2.548   1.796  1.00  0.00           H  
HETATM  120  H   UNL     1       2.815  -0.551  -0.233  1.00  0.00           H  
HETATM  121  H   UNL     1       5.651   0.669   0.102  1.00  0.00           H  
HETATM  122  H   UNL     1       4.788  -2.245  -0.170  1.00  0.00           H  
HETATM  123  H   UNL     1       5.290  -1.448   1.340  1.00  0.00           H  
HETATM  124  H   UNL     1       7.514  -0.976   0.350  1.00  0.00           H  
HETATM  125  H   UNL     1       6.432  -2.559  -2.024  1.00  0.00           H  
HETATM  126  H   UNL     1       6.793  -0.440  -3.262  1.00  0.00           H  
HETATM  127  H   UNL     1       7.296   0.355  -1.751  1.00  0.00           H  
HETATM  128  H   UNL     1       4.569  -0.912  -2.272  1.00  0.00           H  
HETATM  129  H   UNL     1       4.916   0.832  -2.260  1.00  0.00           H  
HETATM  130  H   UNL     1       8.981  -3.898   1.190  1.00  0.00           H  
HETATM  131  H   UNL     1       9.209  -2.740  -0.142  1.00  0.00           H  
HETATM  132  H   UNL     1       8.823  -2.151   1.492  1.00  0.00           H  
HETATM  133  H   UNL     1       8.501  -2.057  -2.874  1.00  0.00           H  
HETATM  134  H   UNL     1      -0.127   0.833  -5.184  1.00  0.00           H  
HETATM  135  H   UNL     1      -0.661  -0.849  -4.962  1.00  0.00           H  
HETATM  136  H   UNL     1      -2.239   0.061  -8.984  1.00  0.00           H  
HETATM  137  H   UNL     1       0.368   0.033 -10.069  1.00  0.00           H  
HETATM  138  H   UNL     1      -0.165  -1.650  -9.847  1.00  0.00           H  
HETATM  139  H   UNL     1      -0.758   1.496 -11.645  1.00  0.00           H  
HETATM  140  H   UNL     1      -2.092   1.647 -13.709  1.00  0.00           H  
HETATM  141  H   UNL     1      -3.398  -0.293 -14.476  1.00  0.00           H  
HETATM  142  H   UNL     1      -3.369  -2.386 -13.179  1.00  0.00           H  
HETATM  143  H   UNL     1      -2.031  -2.539 -11.118  1.00  0.00           H  
CONECT    1    2   43                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    9   68                                       
CONECT    5    4    6   69   70                                       
CONECT    6    5    7   71   72                                       
CONECT    7    6    8   73   74                                       
CONECT    8    7    9   75   76                                       
CONECT    9    4    8   10                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   19   20                                       
CONECT   15   14   16   21   77                                       
CONECT   16   15   17   78   79                                       
CONECT   17   16   18   22   80                                       
CONECT   18   17   19   24   81                                       
CONECT   19   14   18                                                 
CONECT   20   14   82                                                 
CONECT   21   15   83   84   85                                       
CONECT   22   17   23                                                 
CONECT   23   22   86   87   88                                       
CONECT   24   18   25   27   89                                       
CONECT   25   24   26                                                 
CONECT   26   25   90   91   92                                       
CONECT   27   24   28   93   94                                       
CONECT   28   27   29   30   95                                       
CONECT   29   28   96   97   98                                       
CONECT   30   28   31   99  100                                       
CONECT   31   30   32   33   33                                       
CONECT   32   31  101  102  103                                       
CONECT   33   31   31   34  104                                       
CONECT   34   33   35   36  105                                       
CONECT   35   34   56  106  107                                       
CONECT   36   34   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   39  108  109                                       
CONECT   39   38   40   41  110                                       
CONECT   40   39  111                                                 
CONECT   41   39   42   43  112                                       
CONECT   42   41  113  114  115                                       
CONECT   43    1   41   44  116                                       
CONECT   44   43   45   46   46                                       
CONECT   45   44  117  118  119                                       
CONECT   46   44   44   47  120                                       
CONECT   47   46   48   52  121                                       
CONECT   48   47   49  122  123                                       
CONECT   49   48   50   53  124                                       
CONECT   50   49   51   55  125                                       
CONECT   51   50   52  126  127                                       
CONECT   52   47   51  128  129                                       
CONECT   53   49   54                                                 
CONECT   54   53  130  131  132                                       
CONECT   55   50  133                                                 
CONECT   56   35   57  134  135                                       
CONECT   57   56   58                                                 
CONECT   58   57   59   59   60                                       
CONECT   59   58   58                                                 
CONECT   60   58   61  136                                            
CONECT   61   60   62  137  138                                       
CONECT   62   61   63   63   67                                       
CONECT   63   62   62   64  139                                       
CONECT   64   63   65   65  140                                       
CONECT   65   64   64   66  141                                       
CONECT   66   65   67   67  142                                       
CONECT   67   62   66   66  143                                       
CONECT   68    4                                                      
CONECT   69    5                                                      
CONECT   70    5                                                      
CONECT   71    6                                                      
CONECT   72    6                                                      
CONECT   73    7                                                      
CONECT   74    7                                                      
CONECT   75    8                                                      
CONECT   76    8                                                      
CONECT   77   15                                                      
CONECT   78   16                                                      
CONECT   79   16                                                      
CONECT   80   17                                                      
CONECT   81   18                                                      
CONECT   82   20                                                      
CONECT   83   21                                                      
CONECT   84   21                                                      
CONECT   85   21                                                      
CONECT   86   23                                                      
CONECT   87   23                                                      
CONECT   88   23                                                      
CONECT   89   24                                                      
CONECT   90   26                                                      
CONECT   91   26                                                      
CONECT   92   26                                                      
CONECT   93   27                                                      
CONECT   94   27                                                      
CONECT   95   28                                                      
CONECT   96   29                                                      
CONECT   97   29                                                      
CONECT   98   29                                                      
CONECT   99   30                                                      
CONECT  100   30                                                      
CONECT  101   32                                                      
CONECT  102   32                                                      
CONECT  103   32                                                      
CONECT  104   33                                                      
CONECT  105   34                                                      
CONECT  106   35                                                      
CONECT  107   35                                                      
CONECT  108   38                                                      
CONECT  109   38                                                      
CONECT  110   39                                                      
CONECT  111   40                                                      
CONECT  112   41                                                      
CONECT  113   42                                                      
CONECT  114   42                                                      
CONECT  115   42                                                      
CONECT  116   43                                                      
CONECT  117   45                                                      
CONECT  118   45                                                      
CONECT  119   45                                                      
CONECT  120   46                                                      
CONECT  121   47                                                      
CONECT  122   48                                                      
CONECT  123   48                                                      
CONECT  124   49                                                      
CONECT  125   50                                                      
CONECT  126   51                                                      
CONECT  127   51                                                      
CONECT  128   52                                                      
CONECT  129   52                                                      
CONECT  130   54                                                      
CONECT  131   54                                                      
CONECT  132   54                                                      
CONECT  133   55                                                      
CONECT  134   56                                                      
CONECT  135   56                                                      
CONECT  136   60                                                      
CONECT  137   61                                                      
CONECT  138   61                                                      
CONECT  139   63                                                      
CONECT  140   64                                                      
CONECT  141   65                                                      
CONECT  142   66                                                      
CONECT  143   67                                                      
MASTER        0    0    0    0    0    0    0    0  143    0  143    0
END
