COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.203  -3.006   1.423  1.00  0.00           C  
HETATM    2  C   UNL     1       0.112  -2.925   2.895  1.00  0.00           C  
HETATM    3  O   UNL     1       1.200  -2.549   3.259  1.00  0.00           O  
HETATM    4  C   UNL     1       2.769  -2.646  -1.687  1.00  0.00           C  
HETATM    5  C   UNL     1       1.535  -3.510  -1.635  1.00  0.00           C  
HETATM    6  C   UNL     1       0.290  -2.628  -1.740  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.877  -3.305  -1.019  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.764  -2.240  -0.371  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.391  -2.095   1.106  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.011  -0.642   1.397  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.231  -0.345   2.881  1.00  0.00           C  
HETATM   12  C   UNL     1       0.096  -0.102   3.551  1.00  0.00           C  
HETATM   13  C   UNL     1       1.295  -0.352   2.856  1.00  0.00           C  
HETATM   14  C   UNL     1       2.488  -0.129   3.464  1.00  0.00           C  
HETATM   15  C   UNL     1       3.736  -0.385   2.750  1.00  0.00           C  
HETATM   16  C   UNL     1       3.711  -0.837   1.493  1.00  0.00           C  
HETATM   17  C   UNL     1       5.004  -1.098   0.764  1.00  0.00           C  
HETATM   18  C   UNL     1       4.703  -1.641  -0.634  1.00  0.00           C  
HETATM   19  C   UNL     1       5.889  -2.472  -1.125  1.00  0.00           C  
HETATM   20  C   UNL     1       5.642  -2.912  -2.569  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.700  -4.111  -2.026  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.924  -1.538   3.542  1.00  0.00           C  
HETATM   23  C   UNL     1       5.058  -0.140   3.433  1.00  0.00           C  
HETATM   24  C   UNL     1       5.793   0.208   0.644  1.00  0.00           C  
HETATM   25  O   UNL     1       3.087  -2.106  -2.720  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.046  -2.439  -3.117  1.00  0.00           O  
HETATM   27  O   UNL     1       0.133   0.310   4.693  1.00  0.00           O  
HETATM   28  O   UNL     1       3.515  -2.475  -0.583  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.885  -1.438  -0.716  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.345  -1.803  -0.995  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.135  -0.521  -1.282  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.918   0.457  -0.121  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.415   0.652   0.092  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.189   1.652   1.228  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.738  -1.538  -2.679  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.874  -1.805  -0.341  1.00  0.00           C  
HETATM   37  O   UNL     1      -3.134  -2.630  -0.480  1.00  0.00           O  
HETATM   38  O   UNL     1      -5.413  -2.670  -2.129  1.00  0.00           O  
HETATM   39  N   UNL     1      -7.565  -0.835  -1.401  1.00  0.00           N  
HETATM   40  O   UNL     1      -6.523   1.714  -0.433  1.00  0.00           O  
HETATM   41  O   UNL     1      -3.810  -0.595   0.432  1.00  0.00           O  
HETATM   42  C   UNL     1      -6.960   2.280   0.804  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.310   3.755   0.592  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.410   3.860  -0.470  1.00  0.00           C  
HETATM   45  C   UNL     1      -9.582   2.964  -0.052  1.00  0.00           C  
HETATM   46  C   UNL     1      -9.060   1.549   0.208  1.00  0.00           C  
HETATM   47  C   UNL     1     -10.228   0.639   0.595  1.00  0.00           C  
HETATM   48  C   UNL     1      -8.885   5.310  -0.575  1.00  0.00           C  
HETATM   49  O   UNL     1      -7.900   3.429  -1.733  1.00  0.00           O  
HETATM   50  O   UNL     1     -10.556   2.932  -1.097  1.00  0.00           O  
HETATM   51  O   UNL     1      -8.109   1.574   1.269  1.00  0.00           O  
HETATM   52  C   UNL     1       7.656   1.228  -0.225  1.00  0.00           C  
HETATM   53  C   UNL     1       9.092   1.013  -0.708  1.00  0.00           C  
HETATM   54  C   UNL     1       9.775   2.377  -0.865  1.00  0.00           C  
HETATM   55  C   UNL     1       8.907   3.256  -1.773  1.00  0.00           C  
HETATM   56  C   UNL     1       7.484   3.301  -1.212  1.00  0.00           C  
HETATM   57  C   UNL     1       6.619   4.203  -2.093  1.00  0.00           C  
HETATM   58  C   UNL     1       9.776  -1.121  -0.217  1.00  0.00           C  
HETATM   59  C   UNL     1      11.075   3.830   0.344  1.00  0.00           C  
HETATM   60  O   UNL     1       7.021  -0.040  -0.044  1.00  0.00           O  
HETATM   61  O   UNL     1       9.806   0.229   0.250  1.00  0.00           O  
HETATM   62  O   UNL     1       9.914   2.999   0.413  1.00  0.00           O  
HETATM   63  O   UNL     1       9.446   4.579  -1.817  1.00  0.00           O  
HETATM   64  O   UNL     1       6.931   1.986  -1.192  1.00  0.00           O  
HETATM   65  H   UNL     1      -0.453  -4.034   1.161  1.00  0.00           H  
HETATM   66  H   UNL     1       0.665  -2.685   0.848  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.635  -3.203   3.623  1.00  0.00           H  
HETATM   68  H   UNL     1       1.552  -4.216  -2.466  1.00  0.00           H  
HETATM   69  H   UNL     1       1.514  -4.058  -0.693  1.00  0.00           H  
HETATM   70  H   UNL     1       0.490  -1.660  -1.279  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.489  -3.973  -0.249  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.616  -1.287  -0.879  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.242  -2.379   1.725  1.00  0.00           H  
HETATM   74  H   UNL     1       0.038  -0.483   1.146  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.632   0.024   0.797  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.857   0.542   2.985  1.00  0.00           H  
HETATM   77  H   UNL     1       1.266  -0.718   1.840  1.00  0.00           H  
HETATM   78  H   UNL     1       2.514   0.240   4.480  1.00  0.00           H  
HETATM   79  H   UNL     1       2.767  -1.016   1.000  1.00  0.00           H  
HETATM   80  H   UNL     1       5.593  -1.828   1.318  1.00  0.00           H  
HETATM   81  H   UNL     1       4.534  -0.810  -1.318  1.00  0.00           H  
HETATM   82  H   UNL     1       6.003  -3.352  -0.491  1.00  0.00           H  
HETATM   83  H   UNL     1       6.798  -1.872  -1.078  1.00  0.00           H  
HETATM   84  H   UNL     1       6.487  -3.504  -2.919  1.00  0.00           H  
HETATM   85  H   UNL     1       4.733  -3.513  -2.615  1.00  0.00           H  
HETATM   86  H   UNL     1       5.528  -2.032  -3.202  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.048  -4.804  -2.557  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.472  -4.672  -1.498  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.168  -3.432  -2.739  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.672  -2.450   3.001  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.590  -1.625   4.576  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.003  -1.389   3.520  1.00  0.00           H  
HETATM   93  H   UNL     1       4.886   0.098   4.482  1.00  0.00           H  
HETATM   94  H   UNL     1       5.676  -1.035   3.360  1.00  0.00           H  
HETATM   95  H   UNL     1       5.568   0.693   2.949  1.00  0.00           H  
HETATM   96  H   UNL     1       5.206   0.937   0.086  1.00  0.00           H  
HETATM   97  H   UNL     1       6.006   0.597   1.639  1.00  0.00           H  
HETATM   98  H   UNL     1       0.714  -2.011  -3.534  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.472  -0.914  -1.578  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.769  -2.306  -0.125  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.781  -0.072  -2.210  1.00  0.00           H  
HETATM  102  H   UNL     1      -6.366   0.052   0.786  1.00  0.00           H  
HETATM  103  H   UNL     1      -3.965   1.035  -0.824  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.120   1.761   1.409  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.611   2.618   0.950  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.676   1.290   2.133  1.00  0.00           H  
HETATM  107  H   UNL     1      -8.800  -1.622  -2.906  1.00  0.00           H  
HETATM  108  H   UNL     1      -7.240  -0.979  -3.471  1.00  0.00           H  
HETATM  109  H   UNL     1      -7.301  -2.534  -2.608  1.00  0.00           H  
HETATM  110  H   UNL     1      -7.590  -1.388   0.626  1.00  0.00           H  
HETATM  111  H   UNL     1      -8.942  -2.020  -0.345  1.00  0.00           H  
HETATM  112  H   UNL     1      -7.317  -2.725  -0.517  1.00  0.00           H  
HETATM  113  H   UNL     1      -4.905  -3.462  -1.906  1.00  0.00           H  
HETATM  114  H   UNL     1      -6.161   2.199   1.541  1.00  0.00           H  
HETATM  115  H   UNL     1      -7.665   4.183   1.529  1.00  0.00           H  
HETATM  116  H   UNL     1      -6.425   4.295   0.255  1.00  0.00           H  
HETATM  117  H   UNL     1     -10.036   3.358   0.858  1.00  0.00           H  
HETATM  118  H   UNL     1      -8.586   1.166  -0.695  1.00  0.00           H  
HETATM  119  H   UNL     1     -10.954   0.616  -0.217  1.00  0.00           H  
HETATM  120  H   UNL     1      -9.857  -0.369   0.781  1.00  0.00           H  
HETATM  121  H   UNL     1     -10.704   1.023   1.498  1.00  0.00           H  
HETATM  122  H   UNL     1      -8.047   5.947  -0.858  1.00  0.00           H  
HETATM  123  H   UNL     1      -9.668   5.382  -1.331  1.00  0.00           H  
HETATM  124  H   UNL     1      -9.279   5.635   0.388  1.00  0.00           H  
HETATM  125  H   UNL     1      -7.160   4.012  -1.949  1.00  0.00           H  
HETATM  126  H   UNL     1     -11.273   2.359  -0.793  1.00  0.00           H  
HETATM  127  H   UNL     1       7.668   1.766   0.722  1.00  0.00           H  
HETATM  128  H   UNL     1       9.083   0.497  -1.668  1.00  0.00           H  
HETATM  129  H   UNL     1      10.758   2.244  -1.317  1.00  0.00           H  
HETATM  130  H   UNL     1       8.889   2.836  -2.779  1.00  0.00           H  
HETATM  131  H   UNL     1       7.507   3.700  -0.197  1.00  0.00           H  
HETATM  132  H   UNL     1       5.606   4.241  -1.692  1.00  0.00           H  
HETATM  133  H   UNL     1       7.041   5.208  -2.109  1.00  0.00           H  
HETATM  134  H   UNL     1       6.593   3.804  -3.107  1.00  0.00           H  
HETATM  135  H   UNL     1      10.235  -1.773   0.527  1.00  0.00           H  
HETATM  136  H   UNL     1       8.742  -1.426  -0.379  1.00  0.00           H  
HETATM  137  H   UNL     1      10.327  -1.194  -1.154  1.00  0.00           H  
HETATM  138  H   UNL     1      11.947   3.218   0.114  1.00  0.00           H  
HETATM  139  H   UNL     1      10.939   4.578  -0.438  1.00  0.00           H  
HETATM  140  H   UNL     1      11.223   4.328   1.302  1.00  0.00           H  
HETATM  141  H   UNL     1       8.866   5.098  -2.392  1.00  0.00           H  
CONECT    1    2    9   65   66                                       
CONECT    2    1    3    3   67                                       
CONECT    3    2    2                                                 
CONECT    4    5   25   25   28                                       
CONECT    5    4    6   68   69                                       
CONECT    6    5    7   26   70                                       
CONECT    7    6    8   21   71                                       
CONECT    8    7    9   37   72                                       
CONECT    9    1    8   10   73                                       
CONECT   10    9   11   74   75                                       
CONECT   11   10   12   22   76                                       
CONECT   12   11   13   27   27                                       
CONECT   13   12   14   14   77                                       
CONECT   14   13   13   15   78                                       
CONECT   15   14   16   16   23                                       
CONECT   16   15   15   17   79                                       
CONECT   17   16   18   24   80                                       
CONECT   18   17   19   28   81                                       
CONECT   19   18   20   82   83                                       
CONECT   20   19   84   85   86                                       
CONECT   21    7   87   88   89                                       
CONECT   22   11   90   91   92                                       
CONECT   23   15   93   94   95                                       
CONECT   24   17   60   96   97                                       
CONECT   25    4    4                                                 
CONECT   26    6   98                                                 
CONECT   27   12   12                                                 
CONECT   28    4   18                                                 
CONECT   29   30   37   41   99                                       
CONECT   30   29   31   38  100                                       
CONECT   31   30   32   39  101                                       
CONECT   32   31   33   40  102                                       
CONECT   33   32   34   41  103                                       
CONECT   34   33  104  105  106                                       
CONECT   35   39  107  108  109                                       
CONECT   36   39  110  111  112                                       
CONECT   37    8   29                                                 
CONECT   38   30  113                                                 
CONECT   39   31   35   36                                            
CONECT   40   32   42                                                 
CONECT   41   29   33                                                 
CONECT   42   40   43   51  114                                       
CONECT   43   42   44  115  116                                       
CONECT   44   43   45   48   49                                       
CONECT   45   44   46   50  117                                       
CONECT   46   45   47   51  118                                       
CONECT   47   46  119  120  121                                       
CONECT   48   44  122  123  124                                       
CONECT   49   44  125                                                 
CONECT   50   45  126                                                 
CONECT   51   42   46                                                 
CONECT   52   53   60   64  127                                       
CONECT   53   52   54   61  128                                       
CONECT   54   53   55   62  129                                       
CONECT   55   54   56   63  130                                       
CONECT   56   55   57   64  131                                       
CONECT   57   56  132  133  134                                       
CONECT   58   61  135  136  137                                       
CONECT   59   62  138  139  140                                       
CONECT   60   24   52                                                 
CONECT   61   53   58                                                 
CONECT   62   54   59                                                 
CONECT   63   55  141                                                 
CONECT   64   52   56                                                 
CONECT   65    1                                                      
CONECT   66    1                                                      
CONECT   67    2                                                      
CONECT   68    5                                                      
CONECT   69    5                                                      
CONECT   70    6                                                      
CONECT   71    7                                                      
CONECT   72    8                                                      
CONECT   73    9                                                      
CONECT   74   10                                                      
CONECT   75   10                                                      
CONECT   76   11                                                      
CONECT   77   13                                                      
CONECT   78   14                                                      
CONECT   79   16                                                      
CONECT   80   17                                                      
CONECT   81   18                                                      
CONECT   82   19                                                      
CONECT   83   19                                                      
CONECT   84   20                                                      
CONECT   85   20                                                      
CONECT   86   20                                                      
CONECT   87   21                                                      
CONECT   88   21                                                      
CONECT   89   21                                                      
CONECT   90   22                                                      
CONECT   91   22                                                      
CONECT   92   22                                                      
CONECT   93   23                                                      
CONECT   94   23                                                      
CONECT   95   23                                                      
CONECT   96   24                                                      
CONECT   97   24                                                      
CONECT   98   26                                                      
CONECT   99   29                                                      
CONECT  100   30                                                      
CONECT  101   31                                                      
CONECT  102   32                                                      
CONECT  103   33                                                      
CONECT  104   34                                                      
CONECT  105   34                                                      
CONECT  106   34                                                      
CONECT  107   35                                                      
CONECT  108   35                                                      
CONECT  109   35                                                      
CONECT  110   36                                                      
CONECT  111   36                                                      
CONECT  112   36                                                      
CONECT  113   38                                                      
CONECT  114   42                                                      
CONECT  115   43                                                      
CONECT  116   43                                                      
CONECT  117   45                                                      
CONECT  118   46                                                      
CONECT  119   47                                                      
CONECT  120   47                                                      
CONECT  121   47                                                      
CONECT  122   48                                                      
CONECT  123   48                                                      
CONECT  124   48                                                      
CONECT  125   49                                                      
CONECT  126   50                                                      
CONECT  127   52                                                      
CONECT  128   53                                                      
CONECT  129   54                                                      
CONECT  130   55                                                      
CONECT  131   56                                                      
CONECT  132   57                                                      
CONECT  133   57                                                      
CONECT  134   57                                                      
CONECT  135   58                                                      
CONECT  136   58                                                      
CONECT  137   58                                                      
CONECT  138   59                                                      
CONECT  139   59                                                      
CONECT  140   59                                                      
CONECT  141   63                                                      
MASTER        0    0    0    0    0    0    0    0  141    0  141    0
END
