COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.869   6.898   1.368  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.726   4.887   0.264  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.793   5.452  -0.621  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.436   6.799  -0.438  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.996   7.473   0.561  1.00  0.00           N  
HETATM    6  O   UNL     1      -3.443  -3.504  -0.665  1.00  0.00           O  
HETATM    7  O   UNL     1      12.080   4.749   0.518  1.00  0.00           O  
HETATM    8  S   UNL     1      11.508   4.298  -0.702  1.00  0.00           S  
HETATM    9  O   UNL     1      10.756   5.510  -1.234  1.00  0.00           O  
HETATM   10  O   UNL     1      12.327   3.889  -1.788  1.00  0.00           O  
HETATM   11  C   UNL     1      10.214   3.068  -0.381  1.00  0.00           C  
HETATM   12  C   UNL     1       9.474   2.755  -1.684  1.00  0.00           C  
HETATM   13  C   UNL     1      10.841   1.808   0.156  1.00  0.00           C  
HETATM   14  O   UNL     1      12.017   1.594  -0.022  1.00  0.00           O  
HETATM   15  O   UNL     1      10.094   0.922   0.833  1.00  0.00           O  
HETATM   16  C   UNL     1      10.764  -0.270   1.322  1.00  0.00           C  
HETATM   17  C   UNL     1       9.759  -1.153   2.062  1.00  0.00           C  
HETATM   18  N   UNL     1       8.746  -1.637   1.120  1.00  0.00           N  
HETATM   19  C   UNL     1       7.752  -2.438   1.551  1.00  0.00           C  
HETATM   20  O   UNL     1       7.696  -2.759   2.720  1.00  0.00           O  
HETATM   21  C   UNL     1       6.711  -2.936   0.582  1.00  0.00           C  
HETATM   22  C   UNL     1       5.706  -3.820   1.323  1.00  0.00           C  
HETATM   23  N   UNL     1       4.694  -4.303   0.381  1.00  0.00           N  
HETATM   24  C   UNL     1       3.699  -5.105   0.812  1.00  0.00           C  
HETATM   25  O   UNL     1       3.694  -5.501   1.958  1.00  0.00           O  
HETATM   26  C   UNL     1       2.594  -5.508  -0.130  1.00  0.00           C  
HETATM   27  O   UNL     1       2.955  -5.155  -1.467  1.00  0.00           O  
HETATM   28  C   UNL     1       1.304  -4.784   0.258  1.00  0.00           C  
HETATM   29  C   UNL     1       0.837  -5.274   1.630  1.00  0.00           C  
HETATM   30  C   UNL     1       1.561  -3.277   0.316  1.00  0.00           C  
HETATM   31  C   UNL     1       0.222  -5.077  -0.783  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.984  -4.401  -0.421  1.00  0.00           O  
HETATM   33  P   UNL     1      -2.334  -4.486  -1.294  1.00  0.00           P  
HETATM   34  O   UNL     1      -2.046  -4.078  -2.687  1.00  0.00           O  
HETATM   35  O   UNL     1      -2.887  -5.998  -1.282  1.00  0.00           O  
HETATM   36  P   UNL     1      -4.837  -2.903  -1.200  1.00  0.00           P  
HETATM   37  O   UNL     1      -4.699  -2.532  -2.626  1.00  0.00           O  
HETATM   38  O   UNL     1      -5.995  -4.010  -1.043  1.00  0.00           O  
HETATM   39  O   UNL     1      -5.224  -1.597  -0.341  1.00  0.00           O  
HETATM   40  C   UNL     1      -6.354  -0.775  -0.640  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.429   0.374   0.367  1.00  0.00           C  
HETATM   42  O   UNL     1      -5.306   1.253   0.191  1.00  0.00           O  
HETATM   43  C   UNL     1      -5.766   2.590   0.482  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.177   2.634  -0.157  1.00  0.00           C  
HETATM   45  O   UNL     1      -7.998   3.613   0.484  1.00  0.00           O  
HETATM   46  C   UNL     1      -7.704   1.205   0.120  1.00  0.00           C  
HETATM   47  O   UNL     1      -8.540   1.195   1.279  1.00  0.00           O  
HETATM   48  P   UNL     1     -10.073   0.707   1.250  1.00  0.00           P  
HETATM   49  O   UNL     1     -10.145  -0.661   0.691  1.00  0.00           O  
HETATM   50  O   UNL     1     -10.665   0.706   2.747  1.00  0.00           O  
HETATM   51  O   UNL     1     -10.938   1.708   0.332  1.00  0.00           O  
HETATM   52  N   UNL     1      -4.888   3.585  -0.137  1.00  0.00           N  
HETATM   53  C   UNL     1      -4.082   3.388  -1.219  1.00  0.00           C  
HETATM   54  N   UNL     1      -3.441   4.484  -1.501  1.00  0.00           N  
HETATM   55  N   UNL     1      -2.522   7.410  -1.279  1.00  0.00           N  
HETATM   56  N   UNL     1      -5.233   5.640   1.235  1.00  0.00           N  
HETATM   57  H   UNL     1      -5.297   7.480   2.171  1.00  0.00           H  
HETATM   58  H   UNL     1       9.509   3.464   0.350  1.00  0.00           H  
HETATM   59  H   UNL     1      10.179   2.359  -2.415  1.00  0.00           H  
HETATM   60  H   UNL     1       8.697   2.015  -1.491  1.00  0.00           H  
HETATM   61  H   UNL     1       9.021   3.666  -2.072  1.00  0.00           H  
HETATM   62  H   UNL     1      11.182  -0.822   0.480  1.00  0.00           H  
HETATM   63  H   UNL     1      11.566   0.018   2.002  1.00  0.00           H  
HETATM   64  H   UNL     1      10.278  -2.003   2.505  1.00  0.00           H  
HETATM   65  H   UNL     1       9.275  -0.573   2.849  1.00  0.00           H  
HETATM   66  H   UNL     1       8.792  -1.381   0.186  1.00  0.00           H  
HETATM   67  H   UNL     1       6.191  -2.086   0.140  1.00  0.00           H  
HETATM   68  H   UNL     1       7.194  -3.516  -0.204  1.00  0.00           H  
HETATM   69  H   UNL     1       6.226  -4.669   1.766  1.00  0.00           H  
HETATM   70  H   UNL     1       5.222  -3.240   2.109  1.00  0.00           H  
HETATM   71  H   UNL     1       4.739  -4.047  -0.554  1.00  0.00           H  
HETATM   72  H   UNL     1       2.440  -6.585  -0.068  1.00  0.00           H  
HETATM   73  H   UNL     1       3.109  -4.209  -1.595  1.00  0.00           H  
HETATM   74  H   UNL     1       1.572  -4.997   2.385  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.123  -4.817   1.872  1.00  0.00           H  
HETATM   76  H   UNL     1       0.728  -6.359   1.611  1.00  0.00           H  
HETATM   77  H   UNL     1       1.894  -2.928  -0.662  1.00  0.00           H  
HETATM   78  H   UNL     1       0.642  -2.762   0.592  1.00  0.00           H  
HETATM   79  H   UNL     1       2.332  -3.069   1.058  1.00  0.00           H  
HETATM   80  H   UNL     1       0.554  -4.728  -1.761  1.00  0.00           H  
HETATM   81  H   UNL     1       0.038  -6.151  -0.824  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.096  -6.333  -0.399  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.141  -4.301  -0.133  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.252  -0.370  -1.647  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.264  -1.372  -0.579  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.434  -0.022   1.382  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.825   2.749   1.559  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.113   2.824  -1.228  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.708   4.524   0.340  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.246   0.823  -0.746  1.00  0.00           H  
HETATM   91  H   UNL     1     -11.587   0.422   2.806  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.936   2.625   0.640  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.990   2.458  -1.761  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.120   6.908  -2.005  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.284   8.340  -1.143  1.00  0.00           H  
HETATM   96  H   UNL     1      11.325   6.261  -1.454  1.00  0.00           H  
CONECT    1   56   56    5   57                                       
CONECT    2   56   52    3    3                                       
CONECT    3    2    2    4   54                                       
CONECT    4    5    5    3   55                                       
CONECT    5    1    4    4                                            
CONECT    6   36   33                                                 
CONECT    7    8    8                                                 
CONECT    8    7    7   11   10                                       
CONECT    8   10    9                                                 
CONECT    9    8   96                                                 
CONECT   10    8    8                                                 
CONECT   11   12    8   13   58                                       
CONECT   12   11   59   60   61                                       
CONECT   13   11   15   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   13   16                                                 
CONECT   16   15   17   62   63                                       
CONECT   17   16   18   64   65                                       
CONECT   18   17   19   66                                            
CONECT   19   20   20   18   21                                       
CONECT   20   19   19                                                 
CONECT   21   22   19   67   68                                       
CONECT   22   23   21   69   70                                       
CONECT   23   22   24   71                                            
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   27   24   28   72                                       
CONECT   27   26   73                                                 
CONECT   28   26   29   31   30                                       
CONECT   29   28   74   75   76                                       
CONECT   30   28   77   78   79                                       
CONECT   31   28   32   80   81                                       
CONECT   32   33   31                                                 
CONECT   33    6   34   34   32                                       
CONECT   33   35                                                      
CONECT   34   33   33                                                 
CONECT   35   33   82                                                 
CONECT   36   39   37   37   38                                       
CONECT   36    6                                                      
CONECT   37   36   36                                                 
CONECT   38   36   83                                                 
CONECT   39   40   36                                                 
CONECT   40   41   39   84   85                                       
CONECT   41   46   42   40   86                                       
CONECT   42   43   41                                                 
CONECT   43   44   52   42   87                                       
CONECT   44   45   46   43   88                                       
CONECT   45   44   89                                                 
CONECT   46   47   44   41   90                                       
CONECT   47   48   46                                                 
CONECT   48   49   49   51   47                                       
CONECT   48   50                                                      
CONECT   49   48   48                                                 
CONECT   50   48   91                                                 
CONECT   51   48   92                                                 
CONECT   52    2   43   53                                            
CONECT   53   52   54   54   93                                       
CONECT   54    3   53   53                                            
CONECT   55    4   94   95                                            
CONECT   56    1    1    2                                            
CONECT   57    1                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   35                                                      
CONECT   83   38                                                      
CONECT   84   40                                                      
CONECT   85   40                                                      
CONECT   86   41                                                      
CONECT   87   43                                                      
CONECT   88   44                                                      
CONECT   89   45                                                      
CONECT   90   46                                                      
CONECT   91   50                                                      
CONECT   92   51                                                      
CONECT   93   53                                                      
CONECT   94   55                                                      
CONECT   95   55                                                      
CONECT   96    9                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
