COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.763  -0.369   0.462  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.739   0.173   1.547  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.979  -1.152   0.038  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.762  -1.516   1.221  1.00  0.00           N  
HETATM    5  N   UNL     1      -6.665  -2.177   1.116  1.00  0.00           N1+
HETATM    6  N   UNL     1      -7.568  -2.838   1.010  1.00  0.00           N1-
HETATM    7  C   UNL     1      -5.835  -0.297  -0.898  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.985  -1.120  -1.419  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.841  -1.849  -2.585  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.896  -2.604  -3.063  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.182  -1.151  -0.728  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.237  -1.906  -1.206  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.094  -2.631  -2.375  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.314  -0.015  -0.696  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.428  -0.924  -1.490  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.523   0.494   0.046  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.732   1.975  -0.276  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.865   2.515   0.558  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.609   3.060   1.802  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.648   3.556   2.567  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.944   3.506   2.088  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.077   4.046   2.923  1.00  0.00           C  
HETATM   23  N   UNL     1      -6.278   5.468   2.614  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.200   2.962   0.844  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.160   2.471   0.076  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.705  -0.267  -0.366  1.00  0.00           N  
HETATM   27  N   UNL     1       0.895   0.540  -0.476  1.00  0.00           N  
HETATM   28  C   UNL     1       2.087  -0.025  -1.112  1.00  0.00           C  
HETATM   29  C   UNL     1       3.293   0.243  -0.249  1.00  0.00           C  
HETATM   30  O   UNL     1       3.223   1.047   0.657  1.00  0.00           O  
HETATM   31  C   UNL     1       2.288   0.622  -2.484  1.00  0.00           C  
HETATM   32  C   UNL     1       3.441  -0.073  -3.212  1.00  0.00           C  
HETATM   33  C   UNL     1       3.047  -1.516  -3.531  1.00  0.00           C  
HETATM   34  C   UNL     1       3.746   0.672  -4.513  1.00  0.00           C  
HETATM   35  O   UNL     1       6.683   3.657  -1.727  1.00  0.00           O  
HETATM   36  S   UNL     1       6.437   3.736  -0.330  1.00  0.00           S  
HETATM   37  O   UNL     1       7.532   3.906   0.560  1.00  0.00           O  
HETATM   38  C   UNL     1       5.235   5.061  -0.029  1.00  0.00           C  
HETATM   39  C   UNL     1       5.505   2.263   0.176  1.00  0.00           C  
HETATM   40  C   UNL     1       6.376   1.020  -0.011  1.00  0.00           C  
HETATM   41  C   UNL     1       5.590  -0.222   0.415  1.00  0.00           C  
HETATM   42  C   UNL     1       6.500  -1.450   0.346  1.00  0.00           C  
HETATM   43  C   UNL     1       5.765  -2.651   0.883  1.00  0.00           C  
HETATM   44  C   UNL     1       5.019  -3.443   0.029  1.00  0.00           C  
HETATM   45  C   UNL     1       4.344  -4.544   0.521  1.00  0.00           C  
HETATM   46  C   UNL     1       4.415  -4.854   1.866  1.00  0.00           C  
HETATM   47  C   UNL     1       3.679  -6.055   2.402  1.00  0.00           C  
HETATM   48  N   UNL     1       4.552  -7.235   2.336  1.00  0.00           N  
HETATM   49  C   UNL     1       5.161  -4.063   2.720  1.00  0.00           C  
HETATM   50  C   UNL     1       5.840  -2.964   2.227  1.00  0.00           C  
HETATM   51  N   UNL     1       4.448  -0.410  -0.483  1.00  0.00           N  
HETATM   52  H   UNL     1      -4.665  -2.057  -0.482  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.222   0.563  -0.352  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.227   0.047  -1.734  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.904  -1.829  -3.122  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.783  -3.173  -3.974  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.293  -0.585   0.185  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.172  -1.930  -0.666  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.918  -3.220  -2.748  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.369   0.374   1.118  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.820   2.528  -0.052  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.974   2.087  -1.333  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.596   3.099   2.177  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.447   3.981   3.540  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.989   3.493   2.698  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.835   3.934   3.980  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.440   5.604   1.627  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.033   5.853   3.161  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.212   2.924   0.469  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.360   2.046  -0.896  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.726  -0.697  -1.235  1.00  0.00           H  
HETATM   72  H   UNL     1       0.975   1.314   0.104  1.00  0.00           H  
HETATM   73  H   UNL     1       1.959  -1.101  -1.233  1.00  0.00           H  
HETATM   74  H   UNL     1       1.375   0.521  -3.071  1.00  0.00           H  
HETATM   75  H   UNL     1       2.523   1.679  -2.356  1.00  0.00           H  
HETATM   76  H   UNL     1       4.326  -0.070  -2.576  1.00  0.00           H  
HETATM   77  H   UNL     1       2.207  -1.518  -4.226  1.00  0.00           H  
HETATM   78  H   UNL     1       3.894  -2.033  -3.982  1.00  0.00           H  
HETATM   79  H   UNL     1       2.758  -2.026  -2.612  1.00  0.00           H  
HETATM   80  H   UNL     1       4.027   1.701  -4.285  1.00  0.00           H  
HETATM   81  H   UNL     1       4.567   0.177  -5.031  1.00  0.00           H  
HETATM   82  H   UNL     1       2.861   0.670  -5.149  1.00  0.00           H  
HETATM   83  H   UNL     1       4.345   4.889  -0.634  1.00  0.00           H  
HETATM   84  H   UNL     1       4.961   5.070   1.026  1.00  0.00           H  
HETATM   85  H   UNL     1       5.678   6.020  -0.297  1.00  0.00           H  
HETATM   86  H   UNL     1       5.223   2.355   1.225  1.00  0.00           H  
HETATM   87  H   UNL     1       4.607   2.174  -0.435  1.00  0.00           H  
HETATM   88  H   UNL     1       6.658   0.928  -1.060  1.00  0.00           H  
HETATM   89  H   UNL     1       7.274   1.109   0.600  1.00  0.00           H  
HETATM   90  H   UNL     1       5.232  -0.092   1.437  1.00  0.00           H  
HETATM   91  H   UNL     1       6.787  -1.632  -0.689  1.00  0.00           H  
HETATM   92  H   UNL     1       7.394  -1.274   0.945  1.00  0.00           H  
HETATM   93  H   UNL     1       4.964  -3.200  -1.022  1.00  0.00           H  
HETATM   94  H   UNL     1       3.762  -5.163  -0.146  1.00  0.00           H  
HETATM   95  H   UNL     1       3.392  -5.873   3.438  1.00  0.00           H  
HETATM   96  H   UNL     1       2.785  -6.231   1.804  1.00  0.00           H  
HETATM   97  H   UNL     1       5.417  -7.073   2.830  1.00  0.00           H  
HETATM   98  H   UNL     1       4.081  -8.054   2.691  1.00  0.00           H  
HETATM   99  H   UNL     1       5.217  -4.306   3.770  1.00  0.00           H  
HETATM  100  H   UNL     1       6.426  -2.349   2.893  1.00  0.00           H  
HETATM  101  H   UNL     1       4.523  -1.004  -1.246  1.00  0.00           H  
CONECT    1   26    2    2    3                                       
CONECT    2    1    1                                                 
CONECT    3    1    7    4   52                                       
CONECT    4    3    5    5                                            
CONECT    5    4    4    6    6                                       
CONECT    6    5    5                                                 
CONECT    7    3    8   53   54                                       
CONECT    8    7   11   11    9                                       
CONECT    9    8   10   10   55                                       
CONECT   10    9    9   13   56                                       
CONECT   11    8    8   12   57                                       
CONECT   12   11   13   13   58                                       
CONECT   13   12   12   10   59                                       
CONECT   14   27   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   26   60                                       
CONECT   17   16   18   61   62                                       
CONECT   18   17   25   19   19                                       
CONECT   19   18   18   20   63                                       
CONECT   20   21   21   19   64                                       
CONECT   21   24   20   20   22                                       
CONECT   22   21   23   65   66                                       
CONECT   23   22   67   68                                            
CONECT   24   25   25   21   69                                       
CONECT   25   24   24   18   70                                       
CONECT   26   16    1   71                                            
CONECT   27   28   14   72                                            
CONECT   28   29   31   27   73                                       
CONECT   29   51   30   30   28                                       
CONECT   30   29   29                                                 
CONECT   31   28   32   74   75                                       
CONECT   32   31   34   33   76                                       
CONECT   33   32   77   78   79                                       
CONECT   34   32   80   81   82                                       
CONECT   35   36   36                                                 
CONECT   36   35   35   39   38                                       
CONECT   36   37   37                                                 
CONECT   37   36   36                                                 
CONECT   38   36   83   84   85                                       
CONECT   39   40   36   86   87                                       
CONECT   40   39   41   88   89                                       
CONECT   41   40   42   51   90                                       
CONECT   42   41   43   91   92                                       
CONECT   43   42   50   50   44                                       
CONECT   44   43   45   45   93                                       
CONECT   45   44   44   46   94                                       
CONECT   46   49   49   45   47                                       
CONECT   47   46   48   95   96                                       
CONECT   48   47   97   98                                            
CONECT   49   50   46   46   99                                       
CONECT   50   43   43   49  100                                       
CONECT   51   41   29  101                                            
CONECT   52    3                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   31                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   38                                                      
CONECT   84   38                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   40                                                      
CONECT   90   41                                                      
CONECT   91   42                                                      
CONECT   92   42                                                      
CONECT   93   44                                                      
CONECT   94   45                                                      
CONECT   95   47                                                      
CONECT   96   47                                                      
CONECT   97   48                                                      
CONECT   98   48                                                      
CONECT   99   49                                                      
CONECT  100   50                                                      
CONECT  101   51                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
