COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -6.423  -3.583  -0.975  1.00  0.00           N1+
HETATM    2  N   UNL     1      -2.084  -2.126   2.675  1.00  0.00           N  
HETATM    3  C   UNL     1      -5.237  -0.683   1.896  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.119  -0.333   0.893  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.509  -1.278  -0.047  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.821   0.467  -1.220  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.793   0.578  -2.397  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.238   2.131  -3.712  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.695  -0.867   2.394  1.00  0.00           C  
HETATM   10  C   UNL     1       0.553  -1.675   1.698  1.00  0.00           C  
HETATM   11  C   UNL     1       2.226  -0.139   0.935  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.373   2.976   1.403  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.529   3.404   0.089  1.00  0.00           C  
HETATM   14  C   UNL     1       0.421   5.457   0.547  1.00  0.00           C  
HETATM   15  C   UNL     1       1.234   6.248   2.544  1.00  0.00           C  
HETATM   16  C   UNL     1       0.202   3.832   2.331  1.00  0.00           C  
HETATM   17  C   UNL     1       4.473  -0.964   0.240  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.010  -2.572   0.025  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.020   0.426  -4.878  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.062   0.237  -3.699  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.334  -0.612   1.888  1.00  0.00           C  
HETATM   22  C   UNL     1       1.814  -1.441   1.229  1.00  0.00           C  
HETATM   23  C   UNL     1       1.352   0.930   1.119  1.00  0.00           C  
HETATM   24  C   UNL     1       0.072   0.699   1.595  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.128  -2.916   1.031  1.00  0.00           C  
HETATM   26  C   UNL     1       1.384   7.193   1.602  1.00  0.00           C  
HETATM   27  C   UNL     1       0.607   5.096   1.894  1.00  0.00           C  
HETATM   28  C   UNL     1       3.596   0.105   0.426  1.00  0.00           C  
HETATM   29  C   UNL     1       5.747  -0.734  -0.234  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.738  -1.971   1.962  1.00  0.00           C  
HETATM   31  C   UNL     1       6.157   0.562  -0.528  1.00  0.00           C  
HETATM   32  C   UNL     1       5.284   1.629  -0.344  1.00  0.00           C  
HETATM   33  C   UNL     1       4.010   1.404   0.130  1.00  0.00           C  
HETATM   34  C   UNL     1       7.484   1.994  -1.878  1.00  0.00           C  
HETATM   35  C   UNL     1       8.779   1.793  -2.705  1.00  0.00           C  
HETATM   36  C   UNL     1       8.794   0.268  -2.957  1.00  0.00           C  
HETATM   37  C   UNL     1       7.907  -0.332  -1.850  1.00  0.00           C  
HETATM   38  C   UNL     1       8.707  -1.303  -1.020  1.00  0.00           C  
HETATM   39  C   UNL     1       9.244  -0.900   0.188  1.00  0.00           C  
HETATM   40  C   UNL     1       9.978  -1.790   0.949  1.00  0.00           C  
HETATM   41  C   UNL     1      10.176  -3.083   0.502  1.00  0.00           C  
HETATM   42  C   UNL     1       9.641  -3.487  -0.706  1.00  0.00           C  
HETATM   43  C   UNL     1       8.900  -2.599  -1.465  1.00  0.00           C  
HETATM   44  C   UNL     1      -9.329   2.010  -2.486  1.00  0.00           C  
HETATM   45  N   UNL     1      -7.401  -0.927  -1.063  1.00  0.00           N  
HETATM   46  N   UNL     1      -0.139   4.600  -0.297  1.00  0.00           N  
HETATM   47  N   UNL     1       0.906   6.736   0.403  1.00  0.00           N  
HETATM   48  N   UNL     1       7.446   0.792  -1.007  1.00  0.00           N  
HETATM   49  O   UNL     1      -6.604  -3.254  -2.134  1.00  0.00           O  
HETATM   50  O   UNL     1      -6.578  -4.743  -0.639  1.00  0.00           O1-
HETATM   51  O   UNL     1      -9.505   1.770  -4.884  1.00  0.00           O  
HETATM   52  O   UNL     1      -3.723  -3.821   3.407  1.00  0.00           O  
HETATM   53  O   UNL     1      -3.827  -1.489   4.302  1.00  0.00           O  
HETATM   54  O   UNL     1      -2.466   0.059   2.559  1.00  0.00           O  
HETATM   55  O   UNL     1      -0.784   1.735   1.776  1.00  0.00           O  
HETATM   56  S   UNL     1      -3.612  -2.413   3.244  1.00  0.00           S  
HETATM   57 CL   UNL     1       8.226  -3.105  -2.983  1.00  0.00          Cl  
HETATM   58  H   UNL     1      -1.469  -2.865   2.544  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.933   0.051   2.628  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.505   0.674   0.840  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.947   1.090  -1.411  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.315   0.803  -0.308  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.623  -0.114  -2.251  1.00  0.00           H  
HETATM   64  H   UNL     1     -11.093   1.464  -3.598  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.589   3.159  -3.804  1.00  0.00           H  
HETATM   66  H   UNL     1       0.243  -2.684   1.928  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.981   2.738  -0.632  1.00  0.00           H  
HETATM   68  H   UNL     1       1.519   6.325   3.582  1.00  0.00           H  
HETATM   69  H   UNL     1       0.333   3.530   3.359  1.00  0.00           H  
HETATM   70  H   UNL     1       4.156  -1.969   0.472  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.492   0.226  -5.811  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.858  -0.263  -4.779  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.202   0.897  -3.818  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.724  -0.799  -3.667  1.00  0.00           H  
HETATM   75  H   UNL     1       2.495  -2.266   1.085  1.00  0.00           H  
HETATM   76  H   UNL     1       1.671   1.936   0.892  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.740  -3.922   1.088  1.00  0.00           H  
HETATM   78  H   UNL     1       1.819   8.167   1.765  1.00  0.00           H  
HETATM   79  H   UNL     1       6.426  -1.561  -0.378  1.00  0.00           H  
HETATM   80  H   UNL     1       5.605   2.634  -0.572  1.00  0.00           H  
HETATM   81  H   UNL     1       3.332   2.233   0.273  1.00  0.00           H  
HETATM   82  H   UNL     1       7.548   2.902  -1.278  1.00  0.00           H  
HETATM   83  H   UNL     1       6.612   2.026  -2.531  1.00  0.00           H  
HETATM   84  H   UNL     1       8.724   2.339  -3.646  1.00  0.00           H  
HETATM   85  H   UNL     1       9.654   2.100  -2.132  1.00  0.00           H  
HETATM   86  H   UNL     1       8.378   0.042  -3.939  1.00  0.00           H  
HETATM   87  H   UNL     1       9.810  -0.119  -2.880  1.00  0.00           H  
HETATM   88  H   UNL     1       7.050  -0.838  -2.295  1.00  0.00           H  
HETATM   89  H   UNL     1       9.090   0.110   0.537  1.00  0.00           H  
HETATM   90  H   UNL     1      10.397  -1.475   1.893  1.00  0.00           H  
HETATM   91  H   UNL     1      10.750  -3.778   1.097  1.00  0.00           H  
HETATM   92  H   UNL     1       9.792  -4.498  -1.053  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.898   2.242  -1.586  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.496   2.706  -2.580  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.743  -1.607  -1.664  1.00  0.00           H  
HETATM   96  H   UNL     1       0.907   7.241  -0.425  1.00  0.00           H  
CONECT    1   49   49   50   18                                       
CONECT    2   56    9   58                                            
CONECT    3   30   30    4   59                                       
CONECT    4    5    5    3   60                                       
CONECT    5   18   45    4    4                                       
CONECT    6   45    7   61   62                                       
CONECT    7   20    6   44   63                                       
CONECT    8   51   44   64   65                                       
CONECT    9    2   54   54   21                                       
CONECT   10   21   21   22   66                                       
CONECT   11   22   22   23   28                                       
CONECT   12   16   16   55   13                                       
CONECT   13   12   46   46   67                                       
CONECT   14   27   27   47   46                                       
CONECT   15   26   26   27   68                                       
CONECT   16   27   12   12   69                                       
CONECT   17   29   29   28   70                                       
CONECT   18    1   25   25    5                                       
CONECT   19   20   51   71   72                                       
CONECT   20   19    7   73   74                                       
CONECT   21    9   10   10   24                                       
CONECT   22   10   11   11   75                                       
CONECT   23   24   24   11   76                                       
CONECT   24   21   55   23   23                                       
CONECT   25   18   18   30   77                                       
CONECT   26   15   15   47   78                                       
CONECT   27   15   16   14   14                                       
CONECT   28   17   11   33   33                                       
CONECT   29   17   17   31   79                                       
CONECT   30   25   56    3    3                                       
CONECT   31   29   48   32   32                                       
CONECT   32   31   31   33   80                                       
CONECT   33   28   28   32   81                                       
CONECT   34   48   35   82   83                                       
CONECT   35   36   34   84   85                                       
CONECT   36   37   35   86   87                                       
CONECT   37   38   36   48   88                                       
CONECT   38   43   37   39   39                                       
CONECT   39   38   38   40   89                                       
CONECT   40   41   41   39   90                                       
CONECT   41   42   40   40   91                                       
CONECT   42   43   43   41   92                                       
CONECT   43   57   42   42   38                                       
CONECT   44    7    8   93   94                                       
CONECT   45    5    6   95                                            
CONECT   46   14   13   13                                            
CONECT   47   26   14   96                                            
CONECT   48   37   31   34                                            
CONECT   49    1    1                                                 
CONECT   50    1                                                      
CONECT   51   19    8                                                 
CONECT   52   56   56                                                 
CONECT   53   56   56                                                 
CONECT   54    9    9                                                 
CONECT   55   24   12                                                 
CONECT   56   53   53   30   52                                       
CONECT   56   52    2                                                 
CONECT   57   43                                                      
CONECT   58    2                                                      
CONECT   59    3                                                      
CONECT   60    4                                                      
CONECT   61    6                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    8                                                      
CONECT   65    8                                                      
CONECT   66   10                                                      
CONECT   67   13                                                      
CONECT   68   15                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   19                                                      
CONECT   72   19                                                      
CONECT   73   20                                                      
CONECT   74   20                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   25                                                      
CONECT   78   26                                                      
CONECT   79   29                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
CONECT   87   36                                                      
CONECT   88   37                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   41                                                      
CONECT   92   42                                                      
CONECT   93   44                                                      
CONECT   94   44                                                      
CONECT   95   45                                                      
CONECT   96   47                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
