COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.684  -1.949  -1.112  1.00  0.00           O  
HETATM    2  O   UNL     1       2.123  -4.357  -0.366  1.00  0.00           O  
HETATM    3  P   UNL     1       2.406  -3.131   0.412  1.00  0.00           P  
HETATM    4  O   UNL     1       3.108  -3.529   1.805  1.00  0.00           O  
HETATM    5  O   UNL     1       3.391  -2.176  -0.431  1.00  0.00           O  
HETATM    6  P   UNL     1       4.676  -2.439  -1.364  1.00  0.00           P  
HETATM    7  O   UNL     1       5.520  -3.492  -0.756  1.00  0.00           O  
HETATM    8  O   UNL     1       4.191  -2.917  -2.823  1.00  0.00           O  
HETATM    9  O   UNL     1       5.528  -1.080  -1.500  1.00  0.00           O  
HETATM   10  C   UNL     1       6.783  -1.013  -2.181  1.00  0.00           C  
HETATM   11  C   UNL     1       7.319   0.419  -2.123  1.00  0.00           C  
HETATM   12  C   UNL     1       8.612   0.544  -2.958  1.00  0.00           C  
HETATM   13  O   UNL     1       8.325   1.088  -4.248  1.00  0.00           O  
HETATM   14  C   UNL     1       9.493   1.517  -2.143  1.00  0.00           C  
HETATM   15  O   UNL     1       9.777   2.692  -2.905  1.00  0.00           O  
HETATM   16  C   UNL     1       8.627   1.865  -0.912  1.00  0.00           C  
HETATM   17  N   UNL     1       9.466   1.990   0.282  1.00  0.00           N  
HETATM   18  C   UNL     1      10.146   3.112   0.683  1.00  0.00           C  
HETATM   19  N   UNL     1      10.284   4.346   0.208  1.00  0.00           N  
HETATM   20  C   UNL     1      11.028   5.229   0.840  1.00  0.00           C  
HETATM   21  N   UNL     1      11.667   4.945   1.960  1.00  0.00           N  
HETATM   22  C   UNL     1      11.589   3.739   2.511  1.00  0.00           C  
HETATM   23  N   UNL     1      12.262   3.451   3.685  1.00  0.00           N  
HETATM   24  C   UNL     1      10.806   2.761   1.873  1.00  0.00           C  
HETATM   25  N   UNL     1      10.500   1.467   2.132  1.00  0.00           N  
HETATM   26  C   UNL     1       9.710   1.014   1.202  1.00  0.00           C  
HETATM   27  O   UNL     1       7.716   0.754  -0.775  1.00  0.00           O  
HETATM   28  O   UNL     1       1.028  -2.353   0.708  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.092  -2.969   1.347  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.230  -1.954   1.472  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.398  -2.572   2.264  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.720  -1.761   3.395  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.727  -1.614   0.167  1.00  0.00           O  
HETATM   34  C   UNL     1      -2.831  -2.503  -0.108  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.572  -2.591   1.255  1.00  0.00           C  
HETATM   36  O   UNL     1      -4.439  -1.442   1.450  1.00  0.00           O  
HETATM   37  C   UNL     1      -5.709  -1.559   1.032  1.00  0.00           C  
HETATM   38  O   UNL     1      -6.084  -2.587   0.521  1.00  0.00           O  
HETATM   39  C   UNL     1      -6.667  -0.408   1.200  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.038  -0.799   0.646  1.00  0.00           C  
HETATM   41  C   UNL     1      -9.010   0.369   0.817  1.00  0.00           C  
HETATM   42  C   UNL     1     -10.381  -0.022   0.262  1.00  0.00           C  
HETATM   43  C   UNL     1     -11.353   1.146   0.433  1.00  0.00           C  
HETATM   44  C   UNL     1     -12.724   0.755  -0.122  1.00  0.00           C  
HETATM   45  C   UNL     1     -13.697   1.924   0.049  1.00  0.00           C  
HETATM   46  C   UNL     1     -15.068   1.532  -0.505  1.00  0.00           C  
HETATM   47  C   UNL     1     -16.040   2.701  -0.334  1.00  0.00           C  
HETATM   48  C   UNL     1     -17.411   2.309  -0.889  1.00  0.00           C  
HETATM   49  C   UNL     1     -18.383   3.478  -0.718  1.00  0.00           C  
HETATM   50  C   UNL     1     -19.754   3.086  -1.273  1.00  0.00           C  
HETATM   51  C   UNL     1     -20.727   4.255  -1.102  1.00  0.00           C  
HETATM   52  H   UNL     1      -3.249  -1.809  -1.964  1.00  0.00           H  
HETATM   53  H   UNL     1       3.322  -2.773   2.368  1.00  0.00           H  
HETATM   54  H   UNL     1       3.632  -2.274  -3.282  1.00  0.00           H  
HETATM   55  H   UNL     1       7.493  -1.686  -1.700  1.00  0.00           H  
HETATM   56  H   UNL     1       6.649  -1.309  -3.221  1.00  0.00           H  
HETATM   57  H   UNL     1       6.566   1.120  -2.484  1.00  0.00           H  
HETATM   58  H   UNL     1       9.101  -0.426  -3.052  1.00  0.00           H  
HETATM   59  H   UNL     1       9.103   1.188  -4.814  1.00  0.00           H  
HETATM   60  H   UNL     1      10.417   1.028  -1.834  1.00  0.00           H  
HETATM   61  H   UNL     1      10.267   2.523  -3.721  1.00  0.00           H  
HETATM   62  H   UNL     1       8.076   2.789  -1.086  1.00  0.00           H  
HETATM   63  H   UNL     1      11.120   6.223   0.426  1.00  0.00           H  
HETATM   64  H   UNL     1      12.800   4.134   4.116  1.00  0.00           H  
HETATM   65  H   UNL     1      12.197   2.566   4.077  1.00  0.00           H  
HETATM   66  H   UNL     1       9.312   0.011   1.161  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.427  -3.819   0.753  1.00  0.00           H  
HETATM   68  H   UNL     1       0.200  -3.312   2.340  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.872  -1.057   1.978  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.151  -3.586   2.581  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.450  -2.103   3.930  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.467  -3.484  -0.414  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.138  -3.520   1.331  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.759  -0.164   2.259  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.290   0.460   0.659  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.945  -1.043  -0.413  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.414  -1.667   1.187  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.102   0.613   1.875  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.634   1.237   0.275  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.289  -0.266  -0.796  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.757  -0.890   0.803  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.446   1.390   1.491  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.977   2.014  -0.108  1.00  0.00           H  
HETATM   84  H   UNL     1     -12.632   0.511  -1.180  1.00  0.00           H  
HETATM   85  H   UNL     1     -13.101  -0.113   0.420  1.00  0.00           H  
HETATM   86  H   UNL     1     -13.789   2.168   1.108  1.00  0.00           H  
HETATM   87  H   UNL     1     -13.320   2.792  -0.492  1.00  0.00           H  
HETATM   88  H   UNL     1     -14.975   1.288  -1.564  1.00  0.00           H  
HETATM   89  H   UNL     1     -15.444   0.664   0.036  1.00  0.00           H  
HETATM   90  H   UNL     1     -16.132   2.945   0.724  1.00  0.00           H  
HETATM   91  H   UNL     1     -15.663   3.569  -0.876  1.00  0.00           H  
HETATM   92  H   UNL     1     -17.319   2.065  -1.947  1.00  0.00           H  
HETATM   93  H   UNL     1     -17.788   1.441  -0.348  1.00  0.00           H  
HETATM   94  H   UNL     1     -18.476   3.722   0.340  1.00  0.00           H  
HETATM   95  H   UNL     1     -18.007   4.346  -1.259  1.00  0.00           H  
HETATM   96  H   UNL     1     -19.662   2.842  -2.331  1.00  0.00           H  
HETATM   97  H   UNL     1     -20.131   2.218  -0.731  1.00  0.00           H  
HETATM   98  H   UNL     1     -21.703   3.976  -1.497  1.00  0.00           H  
HETATM   99  H   UNL     1     -20.819   4.499  -0.043  1.00  0.00           H  
HETATM  100  H   UNL     1     -20.350   5.123  -1.643  1.00  0.00           H  
CONECT    1   34   52                                                 
CONECT    2    3    3                                                 
CONECT    3   28    5    2    2                                       
CONECT    3    4                                                      
CONECT    4    3   53                                                 
CONECT    5    3    6                                                 
CONECT    6    7    7    5    8                                       
CONECT    6    9                                                      
CONECT    7    6    6                                                 
CONECT    8    6   54                                                 
CONECT    9    6   10                                                 
CONECT   10    9   11   55   56                                       
CONECT   11   10   12   27   57                                       
CONECT   12   11   14   13   58                                       
CONECT   13   12   59                                                 
CONECT   14   12   16   15   60                                       
CONECT   15   14   61                                                 
CONECT   16   27   14   17   62                                       
CONECT   17   26   16   18                                            
CONECT   18   17   24   24   19                                       
CONECT   19   18   20   20                                            
CONECT   20   19   19   21   63                                       
CONECT   21   22   22   20                                            
CONECT   22   24   23   21   21                                       
CONECT   23   22   64   65                                            
CONECT   24   25   18   18   22                                       
CONECT   25   26   26   24                                            
CONECT   26   25   25   17   66                                       
CONECT   27   11   16                                                 
CONECT   28   29    3                                                 
CONECT   29   30   28   67   68                                       
CONECT   30   31   33   29   69                                       
CONECT   31   35   32   30   70                                       
CONECT   32   31   71                                                 
CONECT   33   34   30                                                 
CONECT   34    1   35   33   72                                       
CONECT   35   36   34   31   73                                       
CONECT   36   37   35                                                 
CONECT   37   39   38   38   36                                       
CONECT   38   37   37                                                 
CONECT   39   40   37   74   75                                       
CONECT   40   41   39   76   77                                       
CONECT   41   42   40   78   79                                       
CONECT   42   43   41   80   81                                       
CONECT   43   44   42   82   83                                       
CONECT   44   45   43   84   85                                       
CONECT   45   46   44   86   87                                       
CONECT   46   47   45   88   89                                       
CONECT   47   46   48   90   91                                       
CONECT   48   47   49   92   93                                       
CONECT   49   48   50   94   95                                       
CONECT   50   49   51   96   97                                       
CONECT   51   50   98   99  100                                       
CONECT   52    1                                                      
CONECT   53    4                                                      
CONECT   54    8                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   20                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   26                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   40                                                      
CONECT   78   41                                                      
CONECT   79   41                                                      
CONECT   80   42                                                      
CONECT   81   42                                                      
CONECT   82   43                                                      
CONECT   83   43                                                      
CONECT   84   44                                                      
CONECT   85   44                                                      
CONECT   86   45                                                      
CONECT   87   45                                                      
CONECT   88   46                                                      
CONECT   89   46                                                      
CONECT   90   47                                                      
CONECT   91   47                                                      
CONECT   92   48                                                      
CONECT   93   48                                                      
CONECT   94   49                                                      
CONECT   95   49                                                      
CONECT   96   50                                                      
CONECT   97   50                                                      
CONECT   98   51                                                      
CONECT   99   51                                                      
CONECT  100   51                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
