COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       3.702  -2.831  -1.942  1.00  0.00           P  
HETATM    2  P   UNL     1       1.090  -3.876  -1.008  1.00  0.00           P  
HETATM    3  P   UNL     1      -1.123  -3.888   0.964  1.00  0.00           P  
HETATM    4  P   UNL     1      -3.733  -2.852   1.912  1.00  0.00           P  
HETATM    5  C   UNL     1       8.542   0.484   3.537  1.00  0.00           C  
HETATM    6  N   UNL     1       8.334   1.278   2.323  1.00  0.00           N1+
HETATM    7  C   UNL     1       7.687   0.883   1.265  1.00  0.00           C  
HETATM    8  N   UNL     1       7.690   1.876   0.331  1.00  0.00           N  
HETATM    9  C   UNL     1       7.067   1.821  -0.994  1.00  0.00           C  
HETATM   10  O   UNL     1       6.075   0.774  -1.047  1.00  0.00           O  
HETATM   11  C   UNL     1       5.887   0.442  -2.433  1.00  0.00           C  
HETATM   12  C   UNL     1       5.594  -1.053  -2.575  1.00  0.00           C  
HETATM   13  O   UNL     1       4.330  -1.349  -1.976  1.00  0.00           O  
HETATM   14  O   UNL     1       3.631  -3.369  -3.319  1.00  0.00           O  
HETATM   15  S   UNL     1       4.925  -4.090  -0.753  1.00  0.00           S  
HETATM   16  O   UNL     1       2.221  -2.771  -1.312  1.00  0.00           O  
HETATM   17  O   UNL     1       1.712  -5.058  -0.371  1.00  0.00           O  
HETATM   18  O   UNL     1       0.387  -4.318  -2.388  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.016  -3.253  -0.018  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.748  -5.060   0.310  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.421  -4.351   2.336  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.253  -2.786   1.283  1.00  0.00           O  
HETATM   23  O   UNL     1      -3.663  -3.410   3.281  1.00  0.00           O  
HETATM   24  S   UNL     1      -4.959  -4.091   0.706  1.00  0.00           S  
HETATM   25  O   UNL     1      -4.359  -1.370   1.968  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.622  -1.080   2.571  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.913   0.417   2.451  1.00  0.00           C  
HETATM   28  O   UNL     1      -6.100   0.769   1.070  1.00  0.00           O  
HETATM   29  C   UNL     1      -7.090   1.820   1.033  1.00  0.00           C  
HETATM   30  N   UNL     1      -7.713   1.895  -0.291  1.00  0.00           N  
HETATM   31  C   UNL     1      -7.786   0.887  -1.206  1.00  0.00           C  
HETATM   32  N   UNL     1      -8.408   1.308  -2.270  1.00  0.00           N1+
HETATM   33  C   UNL     1      -8.681   0.508  -3.467  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.764   2.601  -2.093  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.467   3.595  -2.910  1.00  0.00           C  
HETATM   36  O   UNL     1      -9.875   3.309  -4.025  1.00  0.00           O  
HETATM   37  N   UNL     1      -9.654   4.825  -2.407  1.00  0.00           N  
HETATM   38  C   UNL     1      -9.220   5.146  -1.207  1.00  0.00           C  
HETATM   39  N   UNL     1      -9.440   6.417  -0.746  1.00  0.00           N  
HETATM   40  N   UNL     1      -8.564   4.266  -0.407  1.00  0.00           N  
HETATM   41  C   UNL     1      -8.328   2.983  -0.830  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.125   1.378   2.099  1.00  0.00           C  
HETATM   43  O   UNL     1      -8.843   2.504   2.609  1.00  0.00           O  
HETATM   44  C   UNL     1      -7.221   0.758   3.191  1.00  0.00           C  
HETATM   45  O   UNL     1      -6.974   1.704   4.233  1.00  0.00           O  
HETATM   46  C   UNL     1       7.196   0.790  -3.168  1.00  0.00           C  
HETATM   47  O   UNL     1       6.951   1.752  -4.196  1.00  0.00           O  
HETATM   48  C   UNL     1       8.101   1.394  -2.066  1.00  0.00           C  
HETATM   49  O   UNL     1       8.821   2.525  -2.560  1.00  0.00           O  
HETATM   50  C   UNL     1       8.376   2.929   0.854  1.00  0.00           C  
HETATM   51  N   UNL     1       8.707   4.183   0.408  1.00  0.00           N  
HETATM   52  C   UNL     1       9.415   5.031   1.198  1.00  0.00           C  
HETATM   53  N   UNL     1       9.725   6.275   0.716  1.00  0.00           N  
HETATM   54  N   UNL     1       9.816   4.704   2.407  1.00  0.00           N  
HETATM   55  C   UNL     1       9.541   3.499   2.932  1.00  0.00           C  
HETATM   56  O   UNL     1       9.918   3.208   4.056  1.00  0.00           O  
HETATM   57  C   UNL     1       8.779   2.541   2.126  1.00  0.00           C  
HETATM   58  H   UNL     1       9.467  -0.086   3.444  1.00  0.00           H  
HETATM   59  H   UNL     1       8.611   1.149   4.398  1.00  0.00           H  
HETATM   60  H   UNL     1       7.705  -0.200   3.671  1.00  0.00           H  
HETATM   61  H   UNL     1       7.219  -0.084   1.145  1.00  0.00           H  
HETATM   62  H   UNL     1       6.625   2.784  -1.250  1.00  0.00           H  
HETATM   63  H   UNL     1       5.062   1.022  -2.845  1.00  0.00           H  
HETATM   64  H   UNL     1       5.566  -1.319  -3.631  1.00  0.00           H  
HETATM   65  H   UNL     1       6.375  -1.626  -2.076  1.00  0.00           H  
HETATM   66  H   UNL     1       4.899  -3.489   0.450  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.043  -3.592  -2.860  1.00  0.00           H  
HETATM   68  H   UNL     1       0.010  -3.633   2.820  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.932  -3.473  -0.488  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.404  -1.644   2.064  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.595  -1.362   3.624  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.087   0.990   2.871  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.644   2.777   1.301  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.389  -0.108  -1.070  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.643   0.009  -3.359  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.705   1.159  -4.341  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.896  -0.238  -3.592  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.908   7.060  -1.302  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.128   6.674   0.135  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.253   4.549   0.467  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.810   0.635   1.691  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.503   2.279   3.279  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.677  -0.146   3.595  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.772   1.998   4.695  1.00  0.00           H  
HETATM   85  H   UNL     1       7.649  -0.108  -3.587  1.00  0.00           H  
HETATM   86  H   UNL     1       7.741   2.008  -4.692  1.00  0.00           H  
HETATM   87  H   UNL     1       8.785   0.643  -1.670  1.00  0.00           H  
HETATM   88  H   UNL     1       9.480   2.309  -3.234  1.00  0.00           H  
HETATM   89  H   UNL     1       8.432   4.466  -0.478  1.00  0.00           H  
HETATM   90  H   UNL     1      10.230   6.896   1.264  1.00  0.00           H  
HETATM   91  H   UNL     1       9.439   6.536  -0.174  1.00  0.00           H  
CONECT    1   13   14   14   15                                       
CONECT    1   16                                                      
CONECT    2   16   17   17   19                                       
CONECT    2   18                                                      
CONECT    3   20   20   19   21                                       
CONECT    3   22                                                      
CONECT    4   25   22   23   23                                       
CONECT    4   24                                                      
CONECT    5    6   58   59   60                                       
CONECT    6   57    7    7    5                                       
CONECT    7    8    6    6   61                                       
CONECT    8   50    9    7                                            
CONECT    9    8   48   10   62                                       
CONECT   10    9   11                                                 
CONECT   11   10   46   12   63                                       
CONECT   12   11   13   64   65                                       
CONECT   13   12    1                                                 
CONECT   14    1    1                                                 
CONECT   15    1   66                                                 
CONECT   16    1    2                                                 
CONECT   17    2    2                                                 
CONECT   18    2   67                                                 
CONECT   19    2    3                                                 
CONECT   20    3    3                                                 
CONECT   21    3   68                                                 
CONECT   22    3    4                                                 
CONECT   23    4    4                                                 
CONECT   24    4   69                                                 
CONECT   25   26    4                                                 
CONECT   26   27   25   70   71                                       
CONECT   27   44   28   26   72                                       
CONECT   28   27   29                                                 
CONECT   29   42   28   30   73                                       
CONECT   30   29   31   41                                            
CONECT   31   30   32   32   74                                       
CONECT   32   31   31   34   33                                       
CONECT   33   32   75   76   77                                       
CONECT   34   41   41   32   35                                       
CONECT   35   34   37   36   36                                       
CONECT   36   35   35                                                 
CONECT   37   38   38   35                                            
CONECT   38   40   39   37   37                                       
CONECT   39   38   78   79                                            
CONECT   40   41   38   80                                            
CONECT   41   30   40   34   34                                       
CONECT   42   43   44   29   81                                       
CONECT   43   42   82                                                 
CONECT   44   45   42   27   83                                       
CONECT   45   44   84                                                 
CONECT   46   48   11   47   85                                       
CONECT   47   46   86                                                 
CONECT   48    9   49   46   87                                       
CONECT   49   48   88                                                 
CONECT   50   51   57   57    8                                       
CONECT   51   52   50   89                                            
CONECT   52   53   54   54   51                                       
CONECT   53   52   90   91                                            
CONECT   54   52   52   55                                            
CONECT   55   54   56   56   57                                       
CONECT   56   55   55                                                 
CONECT   57   55   50   50    6                                       
CONECT   58    5                                                      
CONECT   59    5                                                      
CONECT   60    5                                                      
CONECT   61    7                                                      
CONECT   62    9                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   12                                                      
CONECT   66   15                                                      
CONECT   67   18                                                      
CONECT   68   21                                                      
CONECT   69   24                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   29                                                      
CONECT   74   31                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   42                                                      
CONECT   82   43                                                      
CONECT   83   44                                                      
CONECT   84   45                                                      
CONECT   85   46                                                      
CONECT   86   47                                                      
CONECT   87   48                                                      
CONECT   88   49                                                      
CONECT   89   51                                                      
CONECT   90   53                                                      
CONECT   91   53                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
