COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      10.846   1.621  -0.621  1.00  0.00           N  
HETATM    2  C   UNL     1       9.690   1.554  -1.255  1.00  0.00           C  
HETATM    3  N   UNL     1       8.783   0.640  -0.977  1.00  0.00           N  
HETATM    4  C   UNL     1       9.003  -0.265  -0.029  1.00  0.00           C  
HETATM    5  C   UNL     1      10.219  -0.236   0.675  1.00  0.00           C  
HETATM    6  C   UNL     1      11.155   0.758   0.341  1.00  0.00           C  
HETATM    7  N   UNL     1      12.370   0.836   1.000  1.00  0.00           N  
HETATM    8  N   UNL     1      10.187  -1.252   1.570  1.00  0.00           N  
HETATM    9  C   UNL     1       9.056  -1.889   1.464  1.00  0.00           C  
HETATM   10  N   UNL     1       8.290  -1.318   0.490  1.00  0.00           N  
HETATM   11  C   UNL     1       7.012  -1.729   0.094  1.00  0.00           C  
HETATM   12  C   UNL     1       6.318  -2.770   0.613  1.00  0.00           C  
HETATM   13  O   UNL     1       6.727  -3.604   1.610  1.00  0.00           O  
HETATM   14  C   UNL     1       5.082  -2.823  -0.080  1.00  0.00           C  
HETATM   15  O   UNL     1       4.076  -3.719   0.122  1.00  0.00           O  
HETATM   16  P   UNL     1       2.994  -3.251   1.219  1.00  0.00           P  
HETATM   17  O   UNL     1       2.220  -1.943   0.685  1.00  0.00           O  
HETATM   18  O   UNL     1       1.934  -4.437   1.467  1.00  0.00           O  
HETATM   19  O   UNL     1       3.684  -2.932   2.488  1.00  0.00           O  
HETATM   20  C   UNL     1       5.094  -1.817  -0.978  1.00  0.00           C  
HETATM   21  O   UNL     1       6.262  -1.155  -0.865  1.00  0.00           O  
HETATM   22  C   UNL     1       3.984  -1.486  -1.943  1.00  0.00           C  
HETATM   23  O   UNL     1       3.084  -0.558  -1.333  1.00  0.00           O  
HETATM   24  P   UNL     1       1.778   0.016  -2.079  1.00  0.00           P  
HETATM   25  O   UNL     1       0.744  -1.187  -2.352  1.00  0.00           O  
HETATM   26  O   UNL     1       2.175   0.628  -3.368  1.00  0.00           O  
HETATM   27  O   UNL     1       1.075   1.128  -1.151  1.00  0.00           O  
HETATM   28  P   UNL     1      -0.035   2.264  -1.413  1.00  0.00           P  
HETATM   29  O   UNL     1      -1.146   1.693  -2.208  1.00  0.00           O  
HETATM   30  O   UNL     1       0.629   3.488  -2.221  1.00  0.00           O  
HETATM   31  O   UNL     1      -0.602   2.796  -0.003  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.960   4.021   1.576  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.676   3.733   0.101  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.348   2.721   2.284  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.708   4.605   2.233  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.110   5.025   1.687  1.00  0.00           C  
HETATM   37  O   UNL     1      -2.700   6.280   1.141  1.00  0.00           O  
HETATM   38  C   UNL     1      -4.302   4.510   0.923  1.00  0.00           C  
HETATM   39  O   UNL     1      -4.661   5.071  -0.090  1.00  0.00           O  
HETATM   40  N   UNL     1      -4.969   3.425   1.365  1.00  0.00           N  
HETATM   41  C   UNL     1      -6.066   2.867   0.572  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.649   1.649   1.293  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.778   1.075   0.477  1.00  0.00           C  
HETATM   44  O   UNL     1      -8.086   1.588  -0.578  1.00  0.00           O  
HETATM   45  N   UNL     1      -8.444  -0.010   0.919  1.00  0.00           N  
HETATM   46  C   UNL     1      -9.494  -0.544   0.161  1.00  0.00           C  
HETATM   47  C   UNL     1     -10.150  -1.611   0.596  1.00  0.00           C  
HETATM   48  S   UNL     1     -11.470  -2.283  -0.358  1.00  0.00           S  
HETATM   49  C   UNL     1     -12.021  -3.692   0.643  1.00  0.00           C  
HETATM   50  C   UNL     1     -13.184  -4.394  -0.061  1.00  0.00           C  
HETATM   51  O   UNL     1     -14.266  -3.475  -0.226  1.00  0.00           O  
HETATM   52  O   UNL     1     -12.755  -4.859  -1.342  1.00  0.00           O  
HETATM   53  H   UNL     1       9.479   2.275  -2.030  1.00  0.00           H  
HETATM   54  H   UNL     1      12.583   0.200   1.701  1.00  0.00           H  
HETATM   55  H   UNL     1      13.007   1.527   0.761  1.00  0.00           H  
HETATM   56  H   UNL     1       8.768  -2.743   2.059  1.00  0.00           H  
HETATM   57  H   UNL     1       6.486  -3.306   2.497  1.00  0.00           H  
HETATM   58  H   UNL     1       1.745  -2.079  -0.146  1.00  0.00           H  
HETATM   59  H   UNL     1       1.251  -4.225   2.117  1.00  0.00           H  
HETATM   60  H   UNL     1       4.407  -1.043  -2.845  1.00  0.00           H  
HETATM   61  H   UNL     1       3.445  -2.397  -2.204  1.00  0.00           H  
HETATM   62  H   UNL     1       0.440  -1.635  -1.551  1.00  0.00           H  
HETATM   63  H   UNL     1       1.365   3.911  -1.758  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.399   4.659  -0.404  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.568   3.317  -0.367  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.491   2.049   2.303  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.660   2.943   3.305  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.170   2.247   1.748  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.479   5.571   1.783  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.884   4.734   3.300  1.00  0.00           H  
HETATM   71  H   UNL     1       0.132   3.926   2.082  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.379   5.155   2.735  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.445   6.240   0.209  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.722   3.015   2.208  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.844   3.620   0.445  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.691   2.564  -0.406  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.871   0.896   1.419  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.024   1.952   2.270  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.198  -0.421   1.763  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.769  -0.087  -0.778  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.875  -2.069   1.535  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.196  -4.393   0.769  1.00  0.00           H  
HETATM   83  H   UNL     1     -12.349  -3.338   1.620  1.00  0.00           H  
HETATM   84  H   UNL     1     -14.042  -2.695  -0.752  1.00  0.00           H  
HETATM   85  H   UNL     1     -13.442  -5.316  -1.846  1.00  0.00           H  
HETATM   86  H   UNL     1     -13.515  -5.241   0.541  1.00  0.00           H  
CONECT    1    6    2    2                                            
CONECT    2    1    1    3   53                                       
CONECT    3    4    4    2                                            
CONECT    4   10    5    3    3                                       
CONECT    5    8    6    6    4                                       
CONECT    6    7    5    5    1                                       
CONECT    7    6   54   55                                            
CONECT    8    9    9    5                                            
CONECT    9    8    8   10   56                                       
CONECT   10    9   11    4                                            
CONECT   11   21   10   12   12                                       
CONECT   12   11   11   14   13                                       
CONECT   13   12   57                                                 
CONECT   14   20   20   12   15                                       
CONECT   15   16   14                                                 
CONECT   16   19   19   17   18                                       
CONECT   16   15                                                      
CONECT   17   16   58                                                 
CONECT   18   16   59                                                 
CONECT   19   16   16                                                 
CONECT   20   22   21   14   14                                       
CONECT   21   20   11                                                 
CONECT   22   20   23   60   61                                       
CONECT   23   22   24                                                 
CONECT   24   23   27   26   26                                       
CONECT   24   25                                                      
CONECT   25   24   62                                                 
CONECT   26   24   24                                                 
CONECT   27   24   28                                                 
CONECT   28   27   31   29   29                                       
CONECT   28   30                                                      
CONECT   29   28   28                                                 
CONECT   30   28   63                                                 
CONECT   31   33   28                                                 
CONECT   32   34   35   33   36                                       
CONECT   33   32   31   64   65                                       
CONECT   34   32   66   67   68                                       
CONECT   35   32   69   70   71                                       
CONECT   36   32   37   38   72                                       
CONECT   37   36   73                                                 
CONECT   38   39   39   36   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41   74                                            
CONECT   41   42   40   75   76                                       
CONECT   42   43   41   77   78                                       
CONECT   43   44   44   45   42                                       
CONECT   44   43   43                                                 
CONECT   45   46   43   79                                            
CONECT   46   47   47   45   80                                       
CONECT   47   48   46   46   81                                       
CONECT   48   49   47                                                 
CONECT   49   50   48   82   83                                       
CONECT   50   49   51   52   86                                       
CONECT   51   50   84                                                 
CONECT   52   50   85                                                 
CONECT   53    2                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    9                                                      
CONECT   57   13                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   25                                                      
CONECT   63   30                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   40                                                      
CONECT   75   41                                                      
CONECT   76   41                                                      
CONECT   77   42                                                      
CONECT   78   42                                                      
CONECT   79   45                                                      
CONECT   80   46                                                      
CONECT   81   47                                                      
CONECT   82   49                                                      
CONECT   83   49                                                      
CONECT   84   51                                                      
CONECT   85   52                                                      
CONECT   86   50                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
