COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.490  -1.072  -0.680  1.00  0.00           C  
HETATM    2  N   UNL     1       7.921  -2.225  -0.953  1.00  0.00           N1+
HETATM    3  C   UNL     1       8.495  -3.388  -0.680  1.00  0.00           C  
HETATM    4  C   UNL     1       9.723  -3.464  -0.094  1.00  0.00           C  
HETATM    5  C   UNL     1      11.661  -2.261   0.831  1.00  0.00           C  
HETATM    6  C   UNL     1      12.282  -1.092   1.129  1.00  0.00           C  
HETATM    7  N   UNL     1      12.128   1.445   1.057  1.00  0.00           N  
HETATM    8  C   UNL     1      11.144   3.739   0.589  1.00  0.00           C  
HETATM    9  C   UNL     1      10.050   4.394   0.068  1.00  0.00           C  
HETATM   10  C   UNL     1       8.975   3.677  -0.446  1.00  0.00           C  
HETATM   11  O   UNL     1       7.901   4.337  -0.958  1.00  0.00           O  
HETATM   12  C   UNL     1       8.991   2.295  -0.432  1.00  0.00           C  
HETATM   13  C   UNL     1      10.394  -2.271   0.227  1.00  0.00           C  
HETATM   14  C   UNL     1      11.693   0.150   0.849  1.00  0.00           C  
HETATM   15  C   UNL     1      11.182   2.348   0.606  1.00  0.00           C  
HETATM   16  C   UNL     1      10.097   1.622   0.088  1.00  0.00           C  
HETATM   17  C   UNL     1      10.434   0.201   0.248  1.00  0.00           C  
HETATM   18  C   UNL     1       9.752  -1.042  -0.078  1.00  0.00           C  
HETATM   19  C   UNL     1       8.175   5.734  -0.827  1.00  0.00           C  
HETATM   20  C   UNL     1       6.599  -2.224  -1.584  1.00  0.00           C  
HETATM   21  C   UNL     1       5.518  -2.225  -0.501  1.00  0.00           C  
HETATM   22  N   UNL     1       4.192  -2.225  -1.134  1.00  0.00           N1+
HETATM   23  C   UNL     1       3.153  -2.226  -0.095  1.00  0.00           C  
HETATM   24  C   UNL     1       1.773  -2.225  -0.754  1.00  0.00           C  
HETATM   25  C   UNL     1       0.691  -2.226   0.328  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.491  -1.074   0.684  1.00  0.00           C  
HETATM   27  N   UNL     1      -7.920  -2.227   0.950  1.00  0.00           N1+
HETATM   28  C   UNL     1      -8.494  -3.390   0.675  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.722  -3.465   0.089  1.00  0.00           C  
HETATM   30  C   UNL     1     -11.659  -2.261  -0.835  1.00  0.00           C  
HETATM   31  C   UNL     1     -12.280  -1.092  -1.130  1.00  0.00           C  
HETATM   32  N   UNL     1     -12.128   1.445  -1.055  1.00  0.00           N  
HETATM   33  C   UNL     1     -11.146   3.738  -0.585  1.00  0.00           C  
HETATM   34  C   UNL     1     -10.053   4.394  -0.063  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.976   3.677   0.449  1.00  0.00           C  
HETATM   36  O   UNL     1      -7.904   4.338   0.961  1.00  0.00           O  
HETATM   37  C   UNL     1      -8.995   2.296   0.440  1.00  0.00           C  
HETATM   38  C   UNL     1     -10.392  -2.271  -0.230  1.00  0.00           C  
HETATM   39  C   UNL     1     -11.692   0.149  -0.848  1.00  0.00           C  
HETATM   40  C   UNL     1     -11.183   2.347  -0.604  1.00  0.00           C  
HETATM   41  C   UNL     1     -10.097   1.622  -0.086  1.00  0.00           C  
HETATM   42  C   UNL     1     -10.433   0.201  -0.247  1.00  0.00           C  
HETATM   43  C   UNL     1      -9.751  -1.043   0.077  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.178   5.734   0.832  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.598  -2.227   1.581  1.00  0.00           C  
HETATM   46  C   UNL     1      -5.516  -2.227   0.499  1.00  0.00           C  
HETATM   47  N   UNL     1      -4.191  -2.227   1.131  1.00  0.00           N1+
HETATM   48  C   UNL     1      -3.152  -2.226   0.092  1.00  0.00           C  
HETATM   49  C   UNL     1      -1.771  -2.227   0.751  1.00  0.00           C  
HETATM   50  C   UNL     1      -0.690  -2.226  -0.331  1.00  0.00           C  
HETATM   51  H   UNL     1       7.984  -0.149  -0.921  1.00  0.00           H  
HETATM   52  H   UNL     1       7.975  -4.301  -0.929  1.00  0.00           H  
HETATM   53  H   UNL     1      10.173  -4.423   0.119  1.00  0.00           H  
HETATM   54  H   UNL     1      12.148  -3.197   1.063  1.00  0.00           H  
HETATM   55  H   UNL     1      13.256  -1.118   1.593  1.00  0.00           H  
HETATM   56  H   UNL     1      12.976   1.687   1.462  1.00  0.00           H  
HETATM   57  H   UNL     1      11.974   4.305   0.985  1.00  0.00           H  
HETATM   58  H   UNL     1      10.028   5.474   0.057  1.00  0.00           H  
HETATM   59  H   UNL     1       8.153   1.739  -0.825  1.00  0.00           H  
HETATM   60  H   UNL     1       9.081   5.980  -1.381  1.00  0.00           H  
HETATM   61  H   UNL     1       7.338   6.307  -1.226  1.00  0.00           H  
HETATM   62  H   UNL     1       8.314   5.979   0.226  1.00  0.00           H  
HETATM   63  H   UNL     1       6.492  -1.334  -2.203  1.00  0.00           H  
HETATM   64  H   UNL     1       6.493  -3.114  -2.205  1.00  0.00           H  
HETATM   65  H   UNL     1       5.624  -3.116   0.118  1.00  0.00           H  
HETATM   66  H   UNL     1       5.624  -1.336   0.119  1.00  0.00           H  
HETATM   67  H   UNL     1       4.093  -1.401  -1.708  1.00  0.00           H  
HETATM   68  H   UNL     1       4.093  -3.048  -1.709  1.00  0.00           H  
HETATM   69  H   UNL     1       3.260  -3.116   0.524  1.00  0.00           H  
HETATM   70  H   UNL     1       3.260  -1.336   0.526  1.00  0.00           H  
HETATM   71  H   UNL     1       1.666  -1.335  -1.374  1.00  0.00           H  
HETATM   72  H   UNL     1       1.666  -3.115  -1.375  1.00  0.00           H  
HETATM   73  H   UNL     1       0.798  -3.117   0.948  1.00  0.00           H  
HETATM   74  H   UNL     1       0.798  -1.337   0.949  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.987  -0.151   0.930  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.973  -4.303   0.923  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.171  -4.423  -0.127  1.00  0.00           H  
HETATM   78  H   UNL     1     -12.145  -3.197  -1.068  1.00  0.00           H  
HETATM   79  H   UNL     1     -13.255  -1.118  -1.595  1.00  0.00           H  
HETATM   80  H   UNL     1     -12.976   1.686  -1.459  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.976   4.304  -0.981  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.031   5.474  -0.053  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.159   1.740   0.839  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.318   5.981  -0.221  1.00  0.00           H  
HETATM   85  H   UNL     1      -9.084   5.980   1.386  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.342   6.308   1.231  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.491  -3.118   2.200  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.491  -1.338   2.202  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.623  -1.336  -0.121  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.623  -3.116  -0.122  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.092  -3.051   1.705  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.092  -1.404   1.706  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.259  -1.336  -0.527  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.259  -3.116  -0.529  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.665  -3.117   1.371  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.665  -1.337   1.372  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.796  -1.335  -0.950  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.796  -3.115  -0.952  1.00  0.00           H  
CONECT    1    2    2   18   51                                       
CONECT    2    1    1    3   20                                       
CONECT    3    2    4    4   52                                       
CONECT    4    3    3   13   53                                       
CONECT    5    6    6   13   54                                       
CONECT    6    5    5   14   55                                       
CONECT    7   14   15   56                                            
CONECT    8    9   15   15   57                                       
CONECT    9    8   10   10   58                                       
CONECT   10    9    9   11   12                                       
CONECT   11   10   19                                                 
CONECT   12   10   16   16   59                                       
CONECT   13    4    5   18   18                                       
CONECT   14    6    7   17   17                                       
CONECT   15    7    8    8   16                                       
CONECT   16   12   12   15   17                                       
CONECT   17   14   14   16   18                                       
CONECT   18    1   13   13   17                                       
CONECT   19   11   60   61   62                                       
CONECT   20    2   21   63   64                                       
CONECT   21   20   22   65   66                                       
CONECT   22   21   23   67   68                                       
CONECT   23   22   24   69   70                                       
CONECT   24   23   25   71   72                                       
CONECT   25   24   50   73   74                                       
CONECT   26   27   27   43   75                                       
CONECT   27   26   26   28   45                                       
CONECT   28   27   29   29   76                                       
CONECT   29   28   28   38   77                                       
CONECT   30   31   31   38   78                                       
CONECT   31   30   30   39   79                                       
CONECT   32   39   40   80                                            
CONECT   33   34   40   40   81                                       
CONECT   34   33   35   35   82                                       
CONECT   35   34   34   36   37                                       
CONECT   36   35   44                                                 
CONECT   37   35   41   41   83                                       
CONECT   38   29   30   43   43                                       
CONECT   39   31   32   42   42                                       
CONECT   40   32   33   33   41                                       
CONECT   41   37   37   40   42                                       
CONECT   42   39   39   41   43                                       
CONECT   43   26   38   38   42                                       
CONECT   44   36   84   85   86                                       
CONECT   45   27   46   87   88                                       
CONECT   46   45   47   89   90                                       
CONECT   47   46   48   91   92                                       
CONECT   48   47   49   93   94                                       
CONECT   49   48   50   95   96                                       
CONECT   50   25   49   97   98                                       
CONECT   51    1                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59   12                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   37                                                      
CONECT   84   44                                                      
CONECT   85   44                                                      
CONECT   86   44                                                      
CONECT   87   45                                                      
CONECT   88   45                                                      
CONECT   89   46                                                      
CONECT   90   46                                                      
CONECT   91   47                                                      
CONECT   92   47                                                      
CONECT   93   48                                                      
CONECT   94   48                                                      
CONECT   95   49                                                      
CONECT   96   49                                                      
CONECT   97   50                                                      
CONECT   98   50                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
