COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1     -14.596   3.840  -3.177  1.00  0.00           N  
HETATM    2  N   UNL     1     -13.938   3.989  -0.927  1.00  0.00           N  
HETATM    3  C   UNL     1     -13.613   2.642  -0.909  1.00  0.00           C  
HETATM    4  C   UNL     1     -13.788   1.895  -2.066  1.00  0.00           C  
HETATM    5  C   UNL     1     -14.299   2.525  -3.221  1.00  0.00           C  
HETATM    6  C   UNL     1     -13.000   0.614  -0.470  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.116  -0.261   0.883  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.594  -1.477   1.651  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.275  -1.778   3.535  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.754  -2.995   4.302  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.034  -5.262   4.009  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.408  -6.331   0.107  1.00  0.00           C  
HETATM   13  O   UNL     1     -14.470   1.889  -4.246  1.00  0.00           O  
HETATM   14  C   UNL     1     -15.127   4.501  -4.372  1.00  0.00           C  
HETATM   15  N   UNL     1     -13.391   0.609  -1.760  1.00  0.00           N  
HETATM   16  C   UNL     1     -12.487  -0.584   0.286  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.244  -1.159   2.240  1.00  0.00           C  
HETATM   18  N   UNL     1      -8.588  -2.088   2.963  1.00  0.00           N  
HETATM   19  O   UNL     1      -6.525  -4.071   3.391  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.826  -6.341   2.945  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.795  -5.930   2.045  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.521  -6.872   1.006  1.00  0.00           C  
HETATM   23  O   UNL     1      -8.748  -0.066   2.062  1.00  0.00           O  
HETATM   24  N   UNL     1     -13.134   1.818   0.026  1.00  0.00           N  
HETATM   25  C   UNL     1     -13.763   4.800   0.280  1.00  0.00           C  
HETATM   26  C   UNL     1     -14.418   4.553  -2.051  1.00  0.00           C  
HETATM   27  O   UNL     1     -14.697   5.736  -2.049  1.00  0.00           O  
HETATM   28  H   UNL     1     -11.206   0.587   1.563  1.00  0.00           H  
HETATM   29  H   UNL     1     -10.420  -0.011   0.082  1.00  0.00           H  
HETATM   30  H   UNL     1     -11.290  -1.727   2.452  1.00  0.00           H  
HETATM   31  H   UNL     1     -10.504  -2.324   0.971  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.366  -0.931   4.214  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.580  -1.529   2.734  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.820  -2.736   4.802  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.491  -3.299   5.046  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.085  -5.051   4.502  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.756  -5.613   4.746  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.260  -7.007  -0.735  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.687  -5.344  -0.263  1.00  0.00           H  
HETATM   40  H   UNL     1     -16.216   4.438  -4.369  1.00  0.00           H  
HETATM   41  H   UNL     1     -14.824   5.548  -4.374  1.00  0.00           H  
HETATM   42  H   UNL     1     -14.738   4.008  -5.263  1.00  0.00           H  
HETATM   43  H   UNL     1     -13.392  -0.154  -2.359  1.00  0.00           H  
HETATM   44  H   UNL     1     -13.182  -0.833   1.087  1.00  0.00           H  
HETATM   45  H   UNL     1     -12.396  -1.431  -0.394  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.985  -2.961   3.105  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.537  -7.275   3.426  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.754  -6.489   2.392  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.422  -7.031   0.412  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.205  -7.817   1.447  1.00  0.00           H  
HETATM   51  H   UNL     1     -12.760   5.228   0.289  1.00  0.00           H  
HETATM   52  H   UNL     1     -14.501   5.602   0.289  1.00  0.00           H  
HETATM   53  H   UNL     1     -13.898   4.173   1.162  1.00  0.00           H  
HETATM   54  N   UNL     1      -2.165  -6.230   0.876  1.00  0.00           N  
HETATM   55  C   UNL     1      -1.042  -5.773   0.286  1.00  0.00           C  
HETATM   56  O   UNL     1      -1.061  -5.447  -0.881  1.00  0.00           O  
HETATM   57  C   UNL     1       0.236  -5.669   1.078  1.00  0.00           C  
HETATM   58  C   UNL     1       1.349  -5.128   0.179  1.00  0.00           C  
HETATM   59  C   UNL     1       2.647  -5.022   0.983  1.00  0.00           C  
HETATM   60  C   UNL     1       3.761  -4.481   0.084  1.00  0.00           C  
HETATM   61  C   UNL     1       5.058  -4.375   0.888  1.00  0.00           C  
HETATM   62  N   UNL     1       6.125  -3.857   0.027  1.00  0.00           N  
HETATM   63  C   UNL     1       6.411  -2.527  -0.123  1.00  0.00           C  
HETATM   64  C   UNL     1       6.974  -4.658  -0.733  1.00  0.00           C  
HETATM   65  C   UNL     1       7.571  -2.436  -1.091  1.00  0.00           C  
HETATM   66  C   UNL     1       7.877  -3.875  -1.440  1.00  0.00           C  
HETATM   67  C   UNL     1       5.778  -1.493   0.477  1.00  0.00           C  
HETATM   68  C   UNL     1       6.189  -0.172   0.221  1.00  0.00           C  
HETATM   69  C   UNL     1       5.552   0.871   0.826  1.00  0.00           C  
HETATM   70  C   UNL     1       5.962   2.187   0.571  1.00  0.00           C  
HETATM   71  C   UNL     1       5.323   3.231   1.177  1.00  0.00           C  
HETATM   72  C   UNL     1       7.166  -1.653  -2.341  1.00  0.00           C  
HETATM   73  C   UNL     1       8.780  -1.783  -0.417  1.00  0.00           C  
HETATM   74  C   UNL     1       5.801   4.539   1.008  1.00  0.00           C  
HETATM   75  N   UNL     1       5.322   5.617   1.574  1.00  0.00           N1+
HETATM   76  C   UNL     1       6.971   4.962   0.143  1.00  0.00           C  
HETATM   77  C   UNL     1       5.983   6.754   1.229  1.00  0.00           C  
HETATM   78  C   UNL     1       7.025   6.459   0.343  1.00  0.00           C  
HETATM   79  C   UNL     1       8.265   4.305   0.626  1.00  0.00           C  
HETATM   80  C   UNL     1       6.706   4.622  -1.326  1.00  0.00           C  
HETATM   81  H   UNL     1      -2.150  -6.491   1.810  1.00  0.00           H  
HETATM   82  H   UNL     1       0.088  -4.994   1.920  1.00  0.00           H  
HETATM   83  H   UNL     1       0.515  -6.656   1.448  1.00  0.00           H  
HETATM   84  H   UNL     1       1.498  -5.804  -0.663  1.00  0.00           H  
HETATM   85  H   UNL     1       1.070  -4.142  -0.191  1.00  0.00           H  
HETATM   86  H   UNL     1       2.499  -4.346   1.825  1.00  0.00           H  
HETATM   87  H   UNL     1       2.927  -6.009   1.353  1.00  0.00           H  
HETATM   88  H   UNL     1       3.909  -5.157  -0.758  1.00  0.00           H  
HETATM   89  H   UNL     1       3.481  -3.494  -0.286  1.00  0.00           H  
HETATM   90  H   UNL     1       4.910  -3.699   1.730  1.00  0.00           H  
HETATM   91  H   UNL     1       5.338  -5.361   1.258  1.00  0.00           H  
HETATM   92  H   UNL     1       4.957  -1.681   1.154  1.00  0.00           H  
HETATM   93  H   UNL     1       7.010   0.016  -0.455  1.00  0.00           H  
HETATM   94  H   UNL     1       4.731   0.682   1.503  1.00  0.00           H  
HETATM   95  H   UNL     1       6.782   2.375  -0.105  1.00  0.00           H  
HETATM   96  H   UNL     1       4.450   3.049   1.786  1.00  0.00           H  
HETATM   97  H   UNL     1       6.862  -0.646  -2.056  1.00  0.00           H  
HETATM   98  H   UNL     1       8.012  -1.597  -3.026  1.00  0.00           H  
HETATM   99  H   UNL     1       6.334  -2.158  -2.832  1.00  0.00           H  
HETATM  100  H   UNL     1       9.083  -2.380   0.443  1.00  0.00           H  
HETATM  101  H   UNL     1       9.605  -1.726  -1.128  1.00  0.00           H  
HETATM  102  H   UNL     1       8.514  -0.779  -0.088  1.00  0.00           H  
HETATM  103  H   UNL     1       8.172   3.221   0.551  1.00  0.00           H  
HETATM  104  H   UNL     1       9.097   4.642   0.007  1.00  0.00           H  
HETATM  105  H   UNL     1       8.448   4.583   1.664  1.00  0.00           H  
HETATM  106  H   UNL     1       5.797   5.123  -1.656  1.00  0.00           H  
HETATM  107  H   UNL     1       7.547   4.957  -1.933  1.00  0.00           H  
HETATM  108  H   UNL     1       6.587   3.544  -1.434  1.00  0.00           H  
HETATM  109  C   UNL     1       4.180   5.600   2.492  1.00  0.00           C  
HETATM  110  C   UNL     1       4.644   6.015   3.890  1.00  0.00           C  
HETATM  111  C   UNL     1       5.784   8.089   1.612  1.00  0.00           C  
HETATM  112  C   UNL     1       7.838   7.451  -0.145  1.00  0.00           C  
HETATM  113  C   UNL     1       7.628   8.767   0.236  1.00  0.00           C  
HETATM  114  C   UNL     1       6.604   9.078   1.114  1.00  0.00           C  
HETATM  115  S   UNL     1       8.670  10.042  -0.389  1.00  0.00           S  
HETATM  116  O   UNL     1       9.972   9.440  -0.629  1.00  0.00           O  
HETATM  117  O   UNL     1       8.056  10.521  -1.618  1.00  0.00           O1-
HETATM  118  O   UNL     1       8.726  11.077   0.632  1.00  0.00           O  
HETATM  119  C   UNL     1       7.033  -6.045  -0.868  1.00  0.00           C  
HETATM  120  C   UNL     1       8.818  -4.453  -2.263  1.00  0.00           C  
HETATM  121  C   UNL     1       8.870  -5.830  -2.391  1.00  0.00           C  
HETATM  122  C   UNL     1       7.977  -6.621  -1.692  1.00  0.00           C  
HETATM  123  S   UNL     1       8.045  -8.374  -1.855  1.00  0.00           S  
HETATM  124  O   UNL     1       7.130  -8.755  -3.011  1.00  0.00           O  
HETATM  125  O   UNL     1       9.367  -8.688  -2.270  1.00  0.00           O  
HETATM  126  O   UNL     1       7.451  -8.910  -0.681  1.00  0.00           O  
HETATM  127  H   UNL     1       3.421   6.298   2.139  1.00  0.00           H  
HETATM  128  H   UNL     1       3.760   4.595   2.531  1.00  0.00           H  
HETATM  129  H   UNL     1       5.064   7.020   3.850  1.00  0.00           H  
HETATM  130  H   UNL     1       3.794   6.003   4.573  1.00  0.00           H  
HETATM  131  H   UNL     1       5.404   5.317   4.242  1.00  0.00           H  
HETATM  132  H   UNL     1       4.987   8.342   2.296  1.00  0.00           H  
HETATM  133  H   UNL     1       8.640   7.206  -0.825  1.00  0.00           H  
HETATM  134  H   UNL     1       6.447  10.104   1.411  1.00  0.00           H  
HETATM  135  H   UNL     1       6.339  -6.669  -0.325  1.00  0.00           H  
HETATM  136  H   UNL     1       9.515  -3.833  -2.807  1.00  0.00           H  
HETATM  137  H   UNL     1       9.607  -6.286  -3.036  1.00  0.00           H  
HETATM  138  H   UNL     1       7.094  -9.705  -3.188  1.00  0.00           H  
CONECT    1   14   26    5                                            
CONECT    2   26   25    3                                            
CONECT    3    2    4    4   24                                       
CONECT    4    5    3    3   15                                       
CONECT    5    1   13   13    4                                       
CONECT    6   15   24   24   16                                       
CONECT    7   16    8   28   29                                       
CONECT    8    7   17   30   31                                       
CONECT    9   18   10   32   33                                       
CONECT   10    9   19   34   35                                       
CONECT   11   19   20   36   37                                       
CONECT   12   22   38   39   54                                       
CONECT   13    5    5                                                 
CONECT   14    1   40   41   42                                       
CONECT   15    4    6   43                                            
CONECT   16    6    7   44   45                                       
CONECT   17    8   23   23   18                                       
CONECT   18   17    9   46                                            
CONECT   19   10   11                                                 
CONECT   20   11   21   47   48                                       
CONECT   21   20   22                                                 
CONECT   22   21   12   49   50                                       
CONECT   23   17   17                                                 
CONECT   24    3    6    6                                            
CONECT   25    2   51   52   53                                       
CONECT   26   27   27    1    2                                       
CONECT   27   26   26                                                 
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   12   55   81                                            
CONECT   55   54   56   56   57                                       
CONECT   56   55   55                                                 
CONECT   57   55   58   82   83                                       
CONECT   58   57   59   84   85                                       
CONECT   59   58   60   86   87                                       
CONECT   60   59   61   88   89                                       
CONECT   61   60   62   90   91                                       
CONECT   62   61   63   64                                            
CONECT   63   62   65   67   67                                       
CONECT   64   62   66   66  119                                       
CONECT   65   63   66   72   73                                       
CONECT   66   64   64   65  120                                       
CONECT   67   63   63   68   92                                       
CONECT   68   67   69   69   93                                       
CONECT   69   68   68   70   94                                       
CONECT   70   69   71   71   95                                       
CONECT   71   70   70   74   96                                       
CONECT   72   65   97   98   99                                       
CONECT   73   65  100  101  102                                       
CONECT   74   71   75   75   76                                       
CONECT   75   74   74   77  109                                       
CONECT   76   74   78   79   80                                       
CONECT   77   75   78  111  111                                       
CONECT   78   76   77  112  112                                       
CONECT   79   76  103  104  105                                       
CONECT   80   76  106  107  108                                       
CONECT   81   54                                                      
CONECT   82   57                                                      
CONECT   83   57                                                      
CONECT   84   58                                                      
CONECT   85   58                                                      
CONECT   86   59                                                      
CONECT   87   59                                                      
CONECT   88   60                                                      
CONECT   89   60                                                      
CONECT   90   61                                                      
CONECT   91   61                                                      
CONECT   92   67                                                      
CONECT   93   68                                                      
CONECT   94   69                                                      
CONECT   95   70                                                      
CONECT   96   71                                                      
CONECT   97   72                                                      
CONECT   98   72                                                      
CONECT   99   72                                                      
CONECT  100   73                                                      
CONECT  101   73                                                      
CONECT  102   73                                                      
CONECT  103   79                                                      
CONECT  104   79                                                      
CONECT  105   79                                                      
CONECT  106   80                                                      
CONECT  107   80                                                      
CONECT  108   80                                                      
CONECT  109   75  110  127  128                                       
CONECT  110  109  129  130  131                                       
CONECT  111   77   77  114  132                                       
CONECT  112   78   78  113  133                                       
CONECT  113  112  114  114  115                                       
CONECT  114  111  113  113  134                                       
CONECT  115  113  116  116  117                                       
CONECT  115  118  118                                                 
CONECT  116  115  115                                                 
CONECT  117  115                                                      
CONECT  118  115  115                                                 
CONECT  119   64  122  122  135                                       
CONECT  120   66  121  121  136                                       
CONECT  121  120  120  122  137                                       
CONECT  122  119  119  121  123                                       
CONECT  123  122  124  125  125                                       
CONECT  123  126  126                                                 
CONECT  124  123  138                                                 
CONECT  125  123  123                                                 
CONECT  126  123  123                                                 
CONECT  127  109                                                      
CONECT  128  109                                                      
CONECT  129  110                                                      
CONECT  130  110                                                      
CONECT  131  110                                                      
CONECT  132  111                                                      
CONECT  133  112                                                      
CONECT  134  114                                                      
CONECT  135  119                                                      
CONECT  136  120                                                      
CONECT  137  121                                                      
CONECT  138  124                                                      
MASTER        0    0    0    0    0    0    0    0  138    0  138    0
END
