COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.477   0.076   1.348  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.379   0.695   2.387  1.00  0.00           O  
HETATM    3  C   UNL     1      -5.823  -0.085   0.690  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.880   0.149   1.678  1.00  0.00           N  
HETATM    5  N   UNL     1      -7.957  -0.008   1.396  1.00  0.00           N1+
HETATM    6  N   UNL     1      -9.033  -0.165   1.115  1.00  0.00           N1-
HETATM    7  C   UNL     1      -5.958   0.926  -0.450  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.251   0.685  -1.186  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.405   1.332  -0.785  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.591   1.110  -1.459  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.282  -0.179  -2.264  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.468  -0.401  -2.939  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.623   0.242  -2.535  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.380  -0.463   0.779  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.057  -0.214   1.358  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.015  -0.267   0.270  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.253  -0.843  -0.770  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.752  -1.283   2.409  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.424  -0.958   3.096  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.572   0.330   3.909  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.036  -2.108   4.027  1.00  0.00           C  
HETATM   22  N   UNL     1       0.181   0.327   0.454  1.00  0.00           N  
HETATM   23  C   UNL     1       1.154   0.367  -0.640  1.00  0.00           C  
HETATM   24  C   UNL     1       2.549   0.398  -0.071  1.00  0.00           C  
HETATM   25  O   UNL     1       2.728   0.747   1.077  1.00  0.00           O  
HETATM   26  C   UNL     1       0.920   1.621  -1.485  1.00  0.00           C  
HETATM   27  C   UNL     1       1.920   1.649  -2.643  1.00  0.00           C  
HETATM   28  C   UNL     1       1.648   0.470  -3.580  1.00  0.00           C  
HETATM   29  C   UNL     1       1.767   2.960  -3.417  1.00  0.00           C  
HETATM   30  O   UNL     1       5.396   4.491  -0.761  1.00  0.00           O  
HETATM   31  S   UNL     1       5.541   3.968   0.552  1.00  0.00           S  
HETATM   32  O   UNL     1       6.838   3.891   1.128  1.00  0.00           O  
HETATM   33  C   UNL     1       4.465   4.906   1.671  1.00  0.00           C  
HETATM   34  C   UNL     1       4.788   2.318   0.603  1.00  0.00           C  
HETATM   35  C   UNL     1       5.577   1.369  -0.300  1.00  0.00           C  
HETATM   36  C   UNL     1       4.942  -0.023  -0.257  1.00  0.00           C  
HETATM   37  C   UNL     1       5.801  -1.001  -1.061  1.00  0.00           C  
HETATM   38  C   UNL     1       5.244  -2.394  -0.917  1.00  0.00           C  
HETATM   39  C   UNL     1       5.678  -3.209   0.112  1.00  0.00           C  
HETATM   40  C   UNL     1       5.166  -4.487   0.243  1.00  0.00           C  
HETATM   41  C   UNL     1       4.221  -4.949  -0.654  1.00  0.00           C  
HETATM   42  C   UNL     1       3.664  -6.341  -0.510  1.00  0.00           C  
HETATM   43  N   UNL     1       2.473  -6.306   0.350  1.00  0.00           N  
HETATM   44  C   UNL     1       3.787  -4.133  -1.681  1.00  0.00           C  
HETATM   45  C   UNL     1       4.295  -2.854  -1.811  1.00  0.00           C  
HETATM   46  N   UNL     1       3.598   0.036  -0.836  1.00  0.00           N  
HETATM   47  H   UNL     1      -5.915  -1.095   0.292  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.955   1.937  -0.042  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.121   0.811  -1.139  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.380   2.010   0.055  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.493   1.615  -1.146  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.379  -0.681  -2.580  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.492  -1.075  -3.782  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.550   0.069  -3.062  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.467  -1.015  -0.014  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.045   0.770   1.826  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.550  -1.301   3.151  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.683  -2.258   1.927  1.00  0.00           H  
HETATM   59  H   UNL     1       0.352  -0.823   2.342  1.00  0.00           H  
HETATM   60  H   UNL     1       0.393   0.603   4.335  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.923   1.132   3.260  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.292   0.171   4.713  1.00  0.00           H  
HETATM   63  H   UNL     1       0.069  -3.025   3.447  1.00  0.00           H  
HETATM   64  H   UNL     1       0.910  -1.876   4.516  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.812  -2.242   4.781  1.00  0.00           H  
HETATM   66  H   UNL     1       0.397   0.728   1.310  1.00  0.00           H  
HETATM   67  H   UNL     1       1.036  -0.519  -1.264  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.095   1.608  -1.882  1.00  0.00           H  
HETATM   69  H   UNL     1       1.057   2.507  -0.865  1.00  0.00           H  
HETATM   70  H   UNL     1       2.934   1.575  -2.250  1.00  0.00           H  
HETATM   71  H   UNL     1       0.655   0.574  -4.016  1.00  0.00           H  
HETATM   72  H   UNL     1       2.395   0.458  -4.374  1.00  0.00           H  
HETATM   73  H   UNL     1       1.702  -0.461  -3.016  1.00  0.00           H  
HETATM   74  H   UNL     1       1.961   3.800  -2.750  1.00  0.00           H  
HETATM   75  H   UNL     1       2.479   2.980  -4.242  1.00  0.00           H  
HETATM   76  H   UNL     1       0.753   3.034  -3.810  1.00  0.00           H  
HETATM   77  H   UNL     1       3.444   4.890   1.291  1.00  0.00           H  
HETATM   78  H   UNL     1       4.491   4.455   2.663  1.00  0.00           H  
HETATM   79  H   UNL     1       4.815   5.937   1.732  1.00  0.00           H  
HETATM   80  H   UNL     1       4.804   1.943   1.627  1.00  0.00           H  
HETATM   81  H   UNL     1       3.757   2.378   0.255  1.00  0.00           H  
HETATM   82  H   UNL     1       5.561   1.744  -1.324  1.00  0.00           H  
HETATM   83  H   UNL     1       6.608   1.308   0.048  1.00  0.00           H  
HETATM   84  H   UNL     1       4.877  -0.360   0.777  1.00  0.00           H  
HETATM   85  H   UNL     1       5.793  -0.713  -2.112  1.00  0.00           H  
HETATM   86  H   UNL     1       6.824  -0.978  -0.685  1.00  0.00           H  
HETATM   87  H   UNL     1       6.416  -2.848   0.812  1.00  0.00           H  
HETATM   88  H   UNL     1       5.506  -5.124   1.046  1.00  0.00           H  
HETATM   89  H   UNL     1       3.391  -6.727  -1.492  1.00  0.00           H  
HETATM   90  H   UNL     1       4.417  -6.990  -0.062  1.00  0.00           H  
HETATM   91  H   UNL     1       2.081  -7.229   0.462  1.00  0.00           H  
HETATM   92  H   UNL     1       2.686  -5.893   1.245  1.00  0.00           H  
HETATM   93  H   UNL     1       3.048  -4.494  -2.382  1.00  0.00           H  
HETATM   94  H   UNL     1       3.953  -2.215  -2.611  1.00  0.00           H  
HETATM   95  H   UNL     1       3.462  -0.185  -1.771  1.00  0.00           H  
CONECT    1   14    2    2    3                                       
CONECT    2    1    1                                                 
CONECT    3    1    7    4   47                                       
CONECT    4    3    5    5                                            
CONECT    5    4    4    6    6                                       
CONECT    6    5    5                                                 
CONECT    7    3    8   48   49                                       
CONECT    8    7    9    9   11                                       
CONECT    9    8    8   10   50                                       
CONECT   10    9   13   13   51                                       
CONECT   11    8   12   12   52                                       
CONECT   12   11   11   13   53                                       
CONECT   13   10   10   12   54                                       
CONECT   14   15    1   55                                            
CONECT   15   16   18   14   56                                       
CONECT   16   22   17   17   15                                       
CONECT   17   16   16                                                 
CONECT   18   19   15   57   58                                       
CONECT   19   21   18   20   59                                       
CONECT   20   19   60   61   62                                       
CONECT   21   19   63   64   65                                       
CONECT   22   23   16   66                                            
CONECT   23   24   26   22   67                                       
CONECT   24   46   25   25   23                                       
CONECT   25   24   24                                                 
CONECT   26   23   27   68   69                                       
CONECT   27   26   29   28   70                                       
CONECT   28   27   71   72   73                                       
CONECT   29   27   74   75   76                                       
CONECT   30   31   31                                                 
CONECT   31   30   30   34   33                                       
CONECT   31   32   32                                                 
CONECT   32   31   31                                                 
CONECT   33   31   77   78   79                                       
CONECT   34   35   31   80   81                                       
CONECT   35   34   36   82   83                                       
CONECT   36   35   37   46   84                                       
CONECT   37   36   38   85   86                                       
CONECT   38   37   39   39   45                                       
CONECT   39   38   38   40   87                                       
CONECT   40   39   41   41   88                                       
CONECT   41   40   40   44   42                                       
CONECT   42   41   43   89   90                                       
CONECT   43   42   91   92                                            
CONECT   44   45   45   41   93                                       
CONECT   45   38   44   44   94                                       
CONECT   46   36   24   95                                            
CONECT   47    3                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   37                                                      
CONECT   86   37                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   42                                                      
CONECT   90   42                                                      
CONECT   91   43                                                      
CONECT   92   43                                                      
CONECT   93   44                                                      
CONECT   94   45                                                      
CONECT   95   46                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
