COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.622   1.237   1.710  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.602  -2.826  -0.712  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.243  -2.691  -2.685  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.984  -1.356  -2.425  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.049   1.257  -0.091  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.851   0.549   0.761  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.347  -1.492  -0.448  1.00  0.00           C  
HETATM    8  P   UNL     1       4.879   3.197  -0.062  1.00  0.00           P  
HETATM    9  O   UNL     1       5.556   3.556  -1.328  1.00  0.00           O  
HETATM   10  O   UNL     1       4.703   4.515   0.845  1.00  0.00           O  
HETATM   11  O   UNL     1       5.766   2.113   0.732  1.00  0.00           O  
HETATM   12  C   UNL     1       7.137   2.329   1.072  1.00  0.00           C  
HETATM   13  C   UNL     1       7.675   1.107   1.819  1.00  0.00           C  
HETATM   14  O   UNL     1       7.712  -0.028   0.937  1.00  0.00           O  
HETATM   15  C   UNL     1       9.120   1.371   2.284  1.00  0.00           C  
HETATM   16  O   UNL     1       9.212   1.284   3.707  1.00  0.00           O  
HETATM   17  C   UNL     1       9.946   0.244   1.617  1.00  0.00           C  
HETATM   18  O   UNL     1      10.926  -0.272   2.520  1.00  0.00           O  
HETATM   19  C   UNL     1       8.860  -0.818   1.314  1.00  0.00           C  
HETATM   20  N   UNL     1       9.277  -1.682   0.207  1.00  0.00           N  
HETATM   21  C   UNL     1       9.026  -1.475  -1.117  1.00  0.00           C  
HETATM   22  N   UNL     1       9.543  -2.438  -1.824  1.00  0.00           N  
HETATM   23  C   UNL     1      10.156  -3.322  -1.001  1.00  0.00           C  
HETATM   24  C   UNL     1      10.865  -4.521  -1.190  1.00  0.00           C  
HETATM   25  N   UNL     1      11.058  -5.036  -2.459  1.00  0.00           N  
HETATM   26  N   UNL     1      11.346  -5.147  -0.121  1.00  0.00           N  
HETATM   27  C   UNL     1      11.167  -4.662   1.094  1.00  0.00           C  
HETATM   28  N   UNL     1      10.511  -3.544   1.319  1.00  0.00           N  
HETATM   29  C   UNL     1       9.998  -2.845   0.312  1.00  0.00           C  
HETATM   30  N   UNL     1      -7.016   2.629  -0.002  1.00  0.00           N  
HETATM   31  C   UNL     1      -7.766   3.266   0.917  1.00  0.00           C  
HETATM   32  O   UNL     1      -7.727   4.479   0.983  1.00  0.00           O  
HETATM   33  N   UNL     1      -8.559   2.583   1.763  1.00  0.00           N  
HETATM   34  O   UNL     1      -9.346   0.624   2.477  1.00  0.00           O  
HETATM   35  N   UNL     1      -7.899  -0.864   0.679  1.00  0.00           N  
HETATM   36  C   UNL     1      -7.047  -3.424  -1.832  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.322  -4.877  -2.122  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.645  -3.349  -3.901  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.533  -0.752  -1.308  1.00  0.00           C  
HETATM   40  N   UNL     1      -6.282   0.601  -1.028  1.00  0.00           N  
HETATM   41  C   UNL     1      -5.210   1.311  -1.730  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.906   1.173  -0.943  1.00  0.00           C  
HETATM   43  O   UNL     1      -4.075   1.734   0.361  1.00  0.00           O  
HETATM   44  C   UNL     1      -2.786   1.914  -1.676  1.00  0.00           C  
HETATM   45  O   UNL     1      -2.617   1.353  -2.980  1.00  0.00           O  
HETATM   46  C   UNL     1      -1.482   1.776  -0.888  1.00  0.00           C  
HETATM   47  O   UNL     1      -1.651   2.337   0.415  1.00  0.00           O  
HETATM   48  C   UNL     1      -0.362   2.518  -1.622  1.00  0.00           C  
HETATM   49  O   UNL     1       0.878   2.293  -0.950  1.00  0.00           O  
HETATM   50  P   UNL     1       2.273   2.924  -1.448  1.00  0.00           P  
HETATM   51  O   UNL     1       2.137   4.393  -1.561  1.00  0.00           O  
HETATM   52  O   UNL     1       2.657   2.309  -2.885  1.00  0.00           O  
HETATM   53  O   UNL     1       3.431   2.571  -0.387  1.00  0.00           O  
HETATM   54  C   UNL     1      -8.792  -4.156   2.897  1.00  0.00           C  
HETATM   55  C   UNL     1     -10.034  -4.031   2.008  1.00  0.00           C  
HETATM   56  C   UNL     1      -8.511  -1.655   1.750  1.00  0.00           C  
HETATM   57  S   UNL     1     -10.077  -2.414   1.185  1.00  0.00           S  
HETATM   58  S   UNL     1      -7.481  -3.123   2.148  1.00  0.00           S  
HETATM   59  H   UNL     1      -8.231  -3.399  -0.048  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.355  -0.786  -3.093  1.00  0.00           H  
HETATM   61  H   UNL     1       4.265   4.354   1.692  1.00  0.00           H  
HETATM   62  H   UNL     1       7.717   2.483   0.162  1.00  0.00           H  
HETATM   63  H   UNL     1       7.220   3.209   1.709  1.00  0.00           H  
HETATM   64  H   UNL     1       7.041   0.888   2.678  1.00  0.00           H  
HETATM   65  H   UNL     1       9.459   2.349   1.940  1.00  0.00           H  
HETATM   66  H   UNL     1      10.100   1.442   4.055  1.00  0.00           H  
HETATM   67  H   UNL     1      10.414   0.596   0.698  1.00  0.00           H  
HETATM   68  H   UNL     1      11.577   0.382   2.810  1.00  0.00           H  
HETATM   69  H   UNL     1       8.643  -1.410   2.203  1.00  0.00           H  
HETATM   70  H   UNL     1       8.479  -0.635  -1.520  1.00  0.00           H  
HETATM   71  H   UNL     1      10.702  -4.570  -3.232  1.00  0.00           H  
HETATM   72  H   UNL     1      11.548  -5.865  -2.577  1.00  0.00           H  
HETATM   73  H   UNL     1      11.575  -5.204   1.935  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.451   3.139  -0.602  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.090   3.064   2.417  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.214  -4.960  -2.744  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.471  -5.310  -2.648  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.481  -5.410  -1.186  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.675  -3.775  -3.644  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.308  -4.140  -4.250  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.518  -2.607  -4.690  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.081   0.883  -2.725  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.471   2.365  -1.820  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.645   0.118  -0.854  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.308   2.672   0.358  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.047   2.969  -1.765  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.384   0.415  -2.977  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.221   0.722  -0.799  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.884   3.276   0.412  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.293   2.150  -2.646  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.581   3.586  -1.633  1.00  0.00           H  
HETATM   92  H   UNL     1       2.762   1.347  -2.886  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.017  -3.797   3.901  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.467  -5.195   2.937  1.00  0.00           H  
HETATM   95  H   UNL     1     -10.016  -4.818   1.254  1.00  0.00           H  
HETATM   96  H   UNL     1     -10.928  -4.145   2.622  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.675  -1.042   2.636  1.00  0.00           H  
CONECT    1    6   33   34   34                                       
CONECT    2    7    7   36   59                                       
CONECT    3    4   36   36   38                                       
CONECT    4    3   39   39   60                                       
CONECT    5    6    6   30   40                                       
CONECT    6    1    5    5   35                                       
CONECT    7    2    2   35   39                                       
CONECT    8    9    9   10   11                                       
CONECT    8   53                                                      
CONECT    9    8    8                                                 
CONECT   10    8   61                                                 
CONECT   11    8   12                                                 
CONECT   12   11   13   62   63                                       
CONECT   13   12   14   15   64                                       
CONECT   14   13   19                                                 
CONECT   15   13   16   17   65                                       
CONECT   16   15   66                                                 
CONECT   17   15   18   19   67                                       
CONECT   18   17   68                                                 
CONECT   19   14   17   20   69                                       
CONECT   20   19   21   29                                            
CONECT   21   20   22   22   70                                       
CONECT   22   21   21   23                                            
CONECT   23   22   24   24   29                                       
CONECT   24   23   23   25   26                                       
CONECT   25   24   71   72                                            
CONECT   26   24   27   27                                            
CONECT   27   26   26   28   73                                       
CONECT   28   27   29   29                                            
CONECT   29   20   23   28   28                                       
CONECT   30    5   31   74                                            
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33    1   31   75                                            
CONECT   34    1    1                                                 
CONECT   35    6    7   56                                            
CONECT   36    2    3    3   37                                       
CONECT   37   36   76   77   78                                       
CONECT   38    3   79   80   81                                       
CONECT   39    4    4    7   40                                       
CONECT   40    5   39   41                                            
CONECT   41   40   42   82   83                                       
CONECT   42   41   43   44   84                                       
CONECT   43   42   85                                                 
CONECT   44   42   45   46   86                                       
CONECT   45   44   87                                                 
CONECT   46   44   47   48   88                                       
CONECT   47   46   89                                                 
CONECT   48   46   49   90   91                                       
CONECT   49   48   50                                                 
CONECT   50   49   51   51   52                                       
CONECT   50   53                                                      
CONECT   51   50   50                                                 
CONECT   52   50   92                                                 
CONECT   53    8   50                                                 
CONECT   54   55   58   93   94                                       
CONECT   55   54   57   95   96                                       
CONECT   56   57   58   35   97                                       
CONECT   57   55   56                                                 
CONECT   58   54   56                                                 
CONECT   59    2                                                      
CONECT   60    4                                                      
CONECT   61   10                                                      
CONECT   62   12                                                      
CONECT   63   12                                                      
CONECT   64   13                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   21                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   27                                                      
CONECT   74   30                                                      
CONECT   75   33                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   38                                                      
CONECT   81   38                                                      
CONECT   82   41                                                      
CONECT   83   41                                                      
CONECT   84   42                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
CONECT   87   45                                                      
CONECT   88   46                                                      
CONECT   89   47                                                      
CONECT   90   48                                                      
CONECT   91   48                                                      
CONECT   92   52                                                      
CONECT   93   54                                                      
CONECT   94   54                                                      
CONECT   95   55                                                      
CONECT   96   55                                                      
CONECT   97   56                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
