COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.229  -1.315  -0.475  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.489  -1.114   0.859  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.147  -1.570   1.346  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.528   0.435   1.822  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.942   0.420   0.349  1.00  0.00           C  
HETATM    6  C   UNL     1       5.060  -1.407  -3.148  1.00  0.00           C  
HETATM    7  C   UNL     1       5.620  -2.934  -1.301  1.00  0.00           C  
HETATM    8  C   UNL     1       7.349  -2.151   0.326  1.00  0.00           C  
HETATM    9  C   UNL     1       5.847  -0.427   1.299  1.00  0.00           C  
HETATM   10  C   UNL     1       8.747   0.071   1.711  1.00  0.00           C  
HETATM   11  O   UNL     1     -11.159   1.409  -1.857  1.00  0.00           O  
HETATM   12  P   UNL     1      -9.737   2.106  -1.566  1.00  0.00           P  
HETATM   13  O   UNL     1      -8.736   1.608  -2.535  1.00  0.00           O  
HETATM   14  O   UNL     1      -9.882   3.703  -1.715  1.00  0.00           O  
HETATM   15  O   UNL     1      -9.261   1.748  -0.070  1.00  0.00           O  
HETATM   16  C   UNL     1      -7.302   1.333   1.998  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.682   0.974   2.670  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.187  -0.988   2.270  1.00  0.00           C  
HETATM   19  O   UNL     1      -9.365  -1.796   2.230  1.00  0.00           O  
HETATM   20  O   UNL     1      -7.460  -2.421   0.541  1.00  0.00           O  
HETATM   21  N   UNL     1      -5.871  -1.143   1.415  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.840  -1.781   0.592  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.429  -1.770   0.012  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.725  -2.682  -0.730  1.00  0.00           O  
HETATM   25  N   UNL     1      -1.152  -1.344   0.081  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.122  -1.982  -0.742  1.00  0.00           C  
HETATM   27  S   UNL     1       2.502  -2.103  -1.492  1.00  0.00           S  
HETATM   28  C   UNL     1       3.871  -1.193  -1.013  1.00  0.00           C  
HETATM   29  O   UNL     1       3.753  -0.307  -0.192  1.00  0.00           O  
HETATM   30  C   UNL     1       5.221  -1.492  -1.610  1.00  0.00           C  
HETATM   31  C   UNL     1       6.282  -0.498  -1.195  1.00  0.00           C  
HETATM   32  C   UNL     1       5.837   0.954  -1.363  1.00  0.00           C  
HETATM   33  C   UNL     1       7.087   1.840  -1.315  1.00  0.00           C  
HETATM   34  O   UNL     1       6.702   3.203  -1.500  1.00  0.00           O  
HETATM   35  C   UNL     1       6.172  -3.097   0.108  1.00  0.00           C  
HETATM   36  C   UNL     1       6.867  -0.696   0.198  1.00  0.00           C  
HETATM   37  C   UNL     1       8.080   0.223   0.348  1.00  0.00           C  
HETATM   38  C   UNL     1       9.021   1.462   2.302  1.00  0.00           C  
HETATM   39  C   UNL     1       7.675   2.173   2.487  1.00  0.00           C  
HETATM   40  C   UNL     1       7.028   2.401   1.122  1.00  0.00           C  
HETATM   41  C   UNL     1       7.804   1.682   0.024  1.00  0.00           C  
HETATM   42  C   UNL     1       9.180   2.388  -0.091  1.00  0.00           C  
HETATM   43  C   UNL     1       9.823   2.252   1.279  1.00  0.00           C  
HETATM   44  C   UNL     1      10.990   2.782   1.560  1.00  0.00           C  
HETATM   45  H   UNL     1       1.167  -0.256  -0.727  1.00  0.00           H  
HETATM   46  H   UNL     1       1.486  -1.423   0.578  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.551  -0.055   0.607  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.232  -1.222   1.912  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.120   0.036  -0.256  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.815  -0.220   0.223  1.00  0.00           H  
HETATM   51  H   UNL     1       4.287  -2.104  -3.471  1.00  0.00           H  
HETATM   52  H   UNL     1       4.774  -0.393  -3.427  1.00  0.00           H  
HETATM   53  H   UNL     1       6.004  -1.663  -3.628  1.00  0.00           H  
HETATM   54  H   UNL     1       4.740  -3.577  -1.419  1.00  0.00           H  
HETATM   55  H   UNL     1       6.374  -3.259  -2.025  1.00  0.00           H  
HETATM   56  H   UNL     1       7.767  -2.304   1.320  1.00  0.00           H  
HETATM   57  H   UNL     1       8.115  -2.338  -0.426  1.00  0.00           H  
HETATM   58  H   UNL     1       6.350  -0.417   2.266  1.00  0.00           H  
HETATM   59  H   UNL     1       5.372   0.539   1.127  1.00  0.00           H  
HETATM   60  H   UNL     1       5.089  -1.211   1.292  1.00  0.00           H  
HETATM   61  H   UNL     1       8.144  -0.507   2.399  1.00  0.00           H  
HETATM   62  H   UNL     1       9.708  -0.441   1.577  1.00  0.00           H  
HETATM   63  H   UNL     1     -11.865   1.689  -1.258  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.167   3.991  -2.593  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.530   1.037   1.288  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.583   2.371   1.817  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.920   1.231   3.014  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.367   1.039   3.711  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.964   1.964   2.313  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.536   0.301   2.591  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.797  -0.965   3.287  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.767  -1.862   1.353  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.634  -0.414   2.009  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.097  -1.673  -0.461  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.778  -2.840   0.844  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.916  -0.615   0.675  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.379  -1.874  -1.795  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.060  -3.041  -0.490  1.00  0.00           H  
HETATM   79  H   UNL     1       7.138  -0.635  -1.905  1.00  0.00           H  
HETATM   80  H   UNL     1       5.354   1.093  -2.332  1.00  0.00           H  
HETATM   81  H   UNL     1       5.149   1.253  -0.580  1.00  0.00           H  
HETATM   82  H   UNL     1       7.760   1.544  -2.123  1.00  0.00           H  
HETATM   83  H   UNL     1       6.258   3.376  -2.341  1.00  0.00           H  
HETATM   84  H   UNL     1       5.394  -2.938   0.848  1.00  0.00           H  
HETATM   85  H   UNL     1       6.533  -4.130   0.226  1.00  0.00           H  
HETATM   86  H   UNL     1       8.825  -0.130  -0.403  1.00  0.00           H  
HETATM   87  H   UNL     1       9.557   1.384   3.245  1.00  0.00           H  
HETATM   88  H   UNL     1       7.022   1.562   3.108  1.00  0.00           H  
HETATM   89  H   UNL     1       7.840   3.135   2.975  1.00  0.00           H  
HETATM   90  H   UNL     1       5.988   2.108   1.134  1.00  0.00           H  
HETATM   91  H   UNL     1       7.063   3.483   0.913  1.00  0.00           H  
HETATM   92  H   UNL     1       9.782   1.889  -0.846  1.00  0.00           H  
HETATM   93  H   UNL     1       9.032   3.436  -0.342  1.00  0.00           H  
HETATM   94  H   UNL     1      11.413   2.665   2.546  1.00  0.00           H  
HETATM   95  H   UNL     1      11.527   3.336   0.804  1.00  0.00           H  
CONECT    1   26   27   45   46                                       
CONECT    2   22   23   47   48                                       
CONECT    3   18   20   20   21                                       
CONECT    4   16   17    5   18                                       
CONECT    5   15    4   49   50                                       
CONECT    6   30   51   52   53                                       
CONECT    7   35   30   54   55                                       
CONECT    8   35   36   56   57                                       
CONECT    9   36   58   59   60                                       
CONECT   10   37   38   61   62                                       
CONECT   11   12   63                                                 
CONECT   12   13   13   11   14                                       
CONECT   12   15                                                      
CONECT   13   12   12                                                 
CONECT   14   12   64                                                 
CONECT   15   12    5                                                 
CONECT   16    4   65   66   67                                       
CONECT   17    4   68   69   70                                       
CONECT   18    4    3   19   71                                       
CONECT   19   18   72                                                 
CONECT   20    3    3                                                 
CONECT   21    3   22   73                                            
CONECT   22   21    2   74   75                                       
CONECT   23    2   25   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   76                                            
CONECT   26   25    1   77   78                                       
CONECT   27    1   28                                                 
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28    7    6   31                                       
CONECT   31   30   36   32   79                                       
CONECT   32   31   33   80   81                                       
CONECT   33   32   41   34   82                                       
CONECT   34   33   83                                                 
CONECT   35    7    8   84   85                                       
CONECT   36    9    8   31   37                                       
CONECT   37   36   10   41   86                                       
CONECT   38   10   39   43   87                                       
CONECT   39   40   38   88   89                                       
CONECT   40   39   41   90   91                                       
CONECT   41   37   40   33   42                                       
CONECT   42   41   43   92   93                                       
CONECT   43   38   42   44   44                                       
CONECT   44   43   43   94   95                                       
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   14                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   26                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   35                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   39                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   40                                                      
CONECT   92   42                                                      
CONECT   93   42                                                      
CONECT   94   44                                                      
CONECT   95   44                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
