COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.764   3.279  -1.416  1.00  0.00           N  
HETATM    2  C   UNL     1       3.257   4.435  -1.186  1.00  0.00           C  
HETATM    3  O   UNL     1       0.086   9.547  -3.214  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.009   3.892  -0.998  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.591   4.689  -2.182  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.875   5.988  -2.457  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.302   7.147  -1.827  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.640   8.348  -2.082  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.559   8.375  -2.964  1.00  0.00           C  
HETATM   10  C   UNL     1       1.181   9.505  -4.125  1.00  0.00           C  
HETATM   11  P   UNL     1       1.812  11.178  -4.181  1.00  0.00           P  
HETATM   12  O   UNL     1       3.163  11.082  -5.069  1.00  0.00           O  
HETATM   13  C   UNL     1       3.079  10.618  -6.405  1.00  0.00           C  
HETATM   14  C   UNL     1       4.464  10.621  -7.016  1.00  0.00           C  
HETATM   15  O   UNL     1       0.819  12.196  -4.664  1.00  0.00           O  
HETATM   16  O   UNL     1       2.390  11.454  -2.694  1.00  0.00           O  
HETATM   17  C   UNL     1       3.428  10.629  -2.194  1.00  0.00           C  
HETATM   18  C   UNL     1       3.790  11.085  -0.796  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.140   7.201  -3.590  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.802   6.000  -3.335  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.977   2.831  -0.430  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.373   2.203   0.700  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.347   1.766  -1.466  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.260   0.770  -0.857  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.808  -0.624  -1.100  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.545  -0.961  -0.297  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.754  -0.801   1.209  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.015  -2.359  -0.621  1.00  0.00           C  
HETATM   29  S   UNL     1      -5.956   1.085  -0.919  1.00  0.00           S  
HETATM   30  O   UNL     1      -6.184   2.514  -0.809  1.00  0.00           O  
HETATM   31  O   UNL     1      -6.651   0.180  -0.023  1.00  0.00           O  
HETATM   32  C   UNL     1      -6.375   0.613  -2.574  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.312   1.558  -3.581  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.643   1.185  -4.883  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.032  -0.126  -5.156  1.00  0.00           C  
HETATM   36  O   UNL     1      -7.356  -0.489  -6.427  1.00  0.00           O  
HETATM   37  C   UNL     1      -7.276   0.521  -7.432  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.090  -1.065  -4.126  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.758  -0.692  -2.823  1.00  0.00           C  
HETATM   40  C   UNL     1       0.457   3.572  -0.851  1.00  0.00           C  
HETATM   41  O   UNL     1       0.655   4.371   0.058  1.00  0.00           O  
HETATM   42  O   UNL     1       1.431   2.833  -1.460  1.00  0.00           O  
HETATM   43  C   UNL     1       2.743   3.031  -0.981  1.00  0.00           C  
HETATM   44  C   UNL     1       3.750   2.197  -1.745  1.00  0.00           C  
HETATM   45  O   UNL     1       5.005   2.882  -1.643  1.00  0.00           O  
HETATM   46  C   UNL     1       4.762   4.246  -1.261  1.00  0.00           C  
HETATM   47  O   UNL     1       5.269   5.178  -2.225  1.00  0.00           O  
HETATM   48  C   UNL     1       4.169   5.929  -2.754  1.00  0.00           C  
HETATM   49  C   UNL     1       2.932   5.094  -2.513  1.00  0.00           C  
HETATM   50  H   UNL     1      -0.794   2.596  -2.164  1.00  0.00           H  
HETATM   51  H   UNL     1       2.970   5.109  -0.371  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.739   4.585  -0.191  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.608   4.068  -3.087  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.646   4.924  -1.983  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.142   7.135  -1.139  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.971   9.259  -1.591  1.00  0.00           H  
HETATM   57  H   UNL     1       1.965   8.830  -3.764  1.00  0.00           H  
HETATM   58  H   UNL     1       0.849   9.205  -5.124  1.00  0.00           H  
HETATM   59  H   UNL     1       2.663   9.606  -6.400  1.00  0.00           H  
HETATM   60  H   UNL     1       2.411  11.278  -6.966  1.00  0.00           H  
HETATM   61  H   UNL     1       4.435  10.266  -8.050  1.00  0.00           H  
HETATM   62  H   UNL     1       4.891  11.629  -6.999  1.00  0.00           H  
HETATM   63  H   UNL     1       5.141   9.979  -6.441  1.00  0.00           H  
HETATM   64  H   UNL     1       3.078   9.592  -2.181  1.00  0.00           H  
HETATM   65  H   UNL     1       4.292  10.707  -2.859  1.00  0.00           H  
HETATM   66  H   UNL     1       4.590  10.466  -0.379  1.00  0.00           H  
HETATM   67  H   UNL     1       4.118  12.129  -0.804  1.00  0.00           H  
HETATM   68  H   UNL     1       2.919  11.029  -0.135  1.00  0.00           H  
HETATM   69  H   UNL     1       0.700   7.216  -4.279  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.469   5.091  -3.828  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.888   3.329  -0.078  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.490   2.811   1.446  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.463   1.229  -1.825  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.865   2.212  -2.321  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.627  -0.749  -2.173  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.623  -1.301  -0.820  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.773  -0.240  -0.597  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.461  -1.538   1.604  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.807  -0.931   1.744  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.135   0.199   1.445  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.711  -3.141  -0.302  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.060  -2.535  -0.114  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.846  -2.471  -1.698  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.009   2.582  -3.379  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.596   1.922  -5.681  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.001   1.473  -6.971  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.242   0.613  -7.935  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.513   0.238  -8.160  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.392  -2.088  -4.333  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.807  -1.432  -2.029  1.00  0.00           H  
HETATM   91  H   UNL     1       2.777   2.773   0.084  1.00  0.00           H  
HETATM   92  H   UNL     1       3.850   1.190  -1.330  1.00  0.00           H  
HETATM   93  H   UNL     1       3.490   2.093  -2.805  1.00  0.00           H  
HETATM   94  H   UNL     1       5.255   4.422  -0.299  1.00  0.00           H  
HETATM   95  H   UNL     1       4.339   6.137  -3.814  1.00  0.00           H  
HETATM   96  H   UNL     1       4.118   6.880  -2.213  1.00  0.00           H  
HETATM   97  H   UNL     1       2.017   5.692  -2.486  1.00  0.00           H  
HETATM   98  H   UNL     1       2.826   4.355  -3.315  1.00  0.00           H  
CONECT    1    4   40   50                                            
CONECT    2   49   43   46   51                                       
CONECT    3   10    9                                                 
CONECT    4    1    5   21   52                                       
CONECT    5    4    6   53   54                                       
CONECT    6    5    7    7   20                                       
CONECT    7    6    6    8   55                                       
CONECT    8    7    9    9   56                                       
CONECT    9    3    8    8   19                                       
CONECT   10    3   11   57   58                                       
CONECT   11   10   16   12   15                                       
CONECT   11   15                                                      
CONECT   12   11   13                                                 
CONECT   13   12   14   59   60                                       
CONECT   14   13   61   62   63                                       
CONECT   15   11   11                                                 
CONECT   16   11   17                                                 
CONECT   17   16   18   64   65                                       
CONECT   18   17   66   67   68                                       
CONECT   19    9   20   20   69                                       
CONECT   20    6   19   19   70                                       
CONECT   21    4   23   22   71                                       
CONECT   22   21   72                                                 
CONECT   23   21   24   73   74                                       
CONECT   24   23   29   25                                            
CONECT   25   24   26   75   76                                       
CONECT   26   25   28   27   77                                       
CONECT   27   26   78   79   80                                       
CONECT   28   26   81   82   83                                       
CONECT   29   24   31   31   32                                       
CONECT   29   30   30                                                 
CONECT   30   29   29                                                 
CONECT   31   29   29                                                 
CONECT   32   29   39   39   33                                       
CONECT   33   32   34   34   84                                       
CONECT   34   33   33   35   85                                       
CONECT   35   34   36   38   38                                       
CONECT   36   35   37                                                 
CONECT   37   36   86   87   88                                       
CONECT   38   35   35   39   89                                       
CONECT   39   32   32   38   90                                       
CONECT   40    1   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40   43                                                 
CONECT   43    2   42   44   91                                       
CONECT   44   43   45   92   93                                       
CONECT   45   44   46                                                 
CONECT   46    2   45   47   94                                       
CONECT   47   46   48                                                 
CONECT   48   47   49   95   96                                       
CONECT   49    2   48   97   98                                       
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   25                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   28                                                      
CONECT   83   28                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   37                                                      
CONECT   87   37                                                      
CONECT   88   37                                                      
CONECT   89   38                                                      
CONECT   90   39                                                      
CONECT   91   43                                                      
CONECT   92   44                                                      
CONECT   93   44                                                      
CONECT   94   46                                                      
CONECT   95   48                                                      
CONECT   96   48                                                      
CONECT   97   49                                                      
CONECT   98   49                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
