COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -24.587   7.369  -2.510  1.00  0.00           C  
HETATM    2  C   UNL     1     -21.204   5.855  -1.214  1.00  0.00           C  
HETATM    3  C   UNL     1     -21.096   5.702   0.169  1.00  0.00           C  
HETATM    4  C   UNL     1     -19.990   5.078   0.707  1.00  0.00           C  
HETATM    5  C   UNL     1     -19.089   4.751  -1.493  1.00  0.00           C  
HETATM    6  C   UNL     1     -17.355   0.189   1.204  1.00  0.00           C  
HETATM    7  C   UNL     1     -18.552  -0.062   2.145  1.00  0.00           C  
HETATM    8  C   UNL     1     -14.942  -0.486   1.281  1.00  0.00           C  
HETATM    9  C   UNL     1     -13.858  -1.300   1.941  1.00  0.00           C  
HETATM   10  C   UNL     1     -13.921   0.350   3.816  1.00  0.00           C  
HETATM   11  O   UNL     1     -16.031   2.126   1.458  1.00  0.00           O  
HETATM   12  C   UNL     1     -17.093   1.669   1.091  1.00  0.00           C  
HETATM   13  N   UNL     1     -18.038   2.484   0.583  1.00  0.00           N  
HETATM   14  C   UNL     1     -17.783   3.922   0.474  1.00  0.00           C  
HETATM   15  C   UNL     1     -18.989   4.603  -0.121  1.00  0.00           C  
HETATM   16  C   UNL     1     -20.191   5.373  -2.043  1.00  0.00           C  
HETATM   17  C   UNL     1     -22.390   6.518  -1.797  1.00  0.00           C  
HETATM   18  C   UNL     1     -22.377   7.484  -2.741  1.00  0.00           C  
HETATM   19  C   UNL     1     -21.105   8.027  -3.339  1.00  0.00           C  
HETATM   20  N   UNL     1     -23.570   7.910  -3.092  1.00  0.00           N  
HETATM   21  S   UNL     1     -24.071   6.189  -1.386  1.00  0.00           S  
HETATM   22  C   UNL     1     -17.868  -0.387   3.499  1.00  0.00           C  
HETATM   23  O   UNL     1     -18.705  -1.211   4.311  1.00  0.00           O  
HETATM   24  C   UNL     1     -16.610  -1.161   3.033  1.00  0.00           C  
HETATM   25  N   UNL     1     -16.189  -0.486   1.792  1.00  0.00           N  
HETATM   26  O   UNL     1     -14.692   0.168   0.291  1.00  0.00           O  
HETATM   27  C   UNL     1     -13.011  -0.391   2.835  1.00  0.00           C  
HETATM   28  C   UNL     1     -12.003  -1.239   3.614  1.00  0.00           C  
HETATM   29  C   UNL     1     -12.263   0.623   1.968  1.00  0.00           C  
HETATM   30  N   UNL     1     -13.007  -1.904   0.913  1.00  0.00           N  
HETATM   31  C   UNL     1     -12.318  -3.030   1.184  1.00  0.00           C  
HETATM   32  O   UNL     1     -12.403  -3.543   2.280  1.00  0.00           O  
HETATM   33  C   UNL     1     -11.443  -3.652   0.127  1.00  0.00           C  
HETATM   34  C   UNL     1     -10.780  -4.911   0.689  1.00  0.00           C  
HETATM   35  O   UNL     1      -9.949  -5.500  -0.314  1.00  0.00           O  
HETATM   36  C   UNL     1      -9.279  -6.688   0.111  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.424  -7.230  -1.036  1.00  0.00           C  
HETATM   38  O   UNL     1      -7.384  -6.297  -1.336  1.00  0.00           O  
HETATM   39  C   UNL     1      -6.523  -6.708  -2.400  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.454  -5.639  -2.633  1.00  0.00           C  
HETATM   41  O   UNL     1      -4.614  -5.546  -1.481  1.00  0.00           O  
HETATM   42  C   UNL     1      -3.576  -4.571  -1.596  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.744  -4.558  -0.312  1.00  0.00           C  
HETATM   44  O   UNL     1      -2.071  -5.811  -0.168  1.00  0.00           O  
HETATM   45  C   UNL     1      -1.262  -5.904   1.005  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.593  -7.279   1.056  1.00  0.00           C  
HETATM   47  O   UNL     1       0.314  -7.409  -0.040  1.00  0.00           O  
HETATM   48  C   UNL     1       0.995  -8.664  -0.087  1.00  0.00           C  
HETATM   49  C   UNL     1       1.935  -8.691  -1.294  1.00  0.00           C  
HETATM   50  O   UNL     1       2.960  -7.711  -1.121  1.00  0.00           O  
HETATM   51  C   UNL     1       3.897  -7.653  -2.199  1.00  0.00           C  
HETATM   52  C   UNL     1       4.903  -6.616  -1.919  1.00  0.00           C  
HETATM   53  C   UNL     1       5.706  -5.789  -1.695  1.00  0.00           C  
HETATM   54  C   UNL     1       6.686  -4.781  -1.423  1.00  0.00           C  
HETATM   55  C   UNL     1       7.712  -4.537  -2.338  1.00  0.00           C  
HETATM   56  C   UNL     1       8.653  -3.565  -2.072  1.00  0.00           C  
HETATM   57  C   UNL     1       6.614  -4.036  -0.245  1.00  0.00           C  
HETATM   58  C   UNL     1       7.556  -3.062   0.011  1.00  0.00           C  
HETATM   59  C   UNL     1       8.582  -2.830  -0.896  1.00  0.00           C  
HETATM   60  O   UNL     1       9.508  -1.869  -0.640  1.00  0.00           O  
HETATM   61  C   UNL     1      10.536  -1.683  -1.615  1.00  0.00           C  
HETATM   62  C   UNL     1      11.477  -0.568  -1.157  1.00  0.00           C  
HETATM   63  C   UNL     1      12.578  -0.369  -2.201  1.00  0.00           C  
HETATM   64  C   UNL     1      13.506   0.730  -1.749  1.00  0.00           C  
HETATM   65  CA  UNL     1      14.616   0.569  -0.996  1.00  0.00           C  
HETATM   66  C   UNL     1      15.060  -0.747  -0.515  1.00  0.00           C  
HETATM   67  O   UNL     1      14.421  -1.743  -0.792  1.00  0.00           O  
HETATM   68  OXT UNL     1      16.177  -0.850   0.235  1.00  0.00           O  
HETATM   69  S   UNL     1      13.333   2.443  -2.119  1.00  0.00           S  
HETATM   70  C   UNL     1      14.795   2.794  -1.202  1.00  0.00           C  
HETATM   71  N   UNL     1      15.281   1.696  -0.721  1.00  0.00           N  
HETATM   72  N   UNL     1      15.343   4.054  -1.027  1.00  0.00           N  
HETATM   73  C   UNL     1      14.361   4.978  -0.438  1.00  0.00           C  
HETATM   74  C   UNL     1      14.881   6.407  -0.603  1.00  0.00           C  
HETATM   75  C   UNL     1      16.302   6.498  -0.111  1.00  0.00           C  
HETATM   76  C   UNL     1      17.075   5.375   0.077  1.00  0.00           C  
HETATM   77  C   UNL     1      16.546   3.991  -0.190  1.00  0.00           C  
HETATM   78  C   UNL     1      16.831   7.754   0.154  1.00  0.00           C  
HETATM   79  C   UNL     1      18.130   7.892   0.604  1.00  0.00           C  
HETATM   80  C   UNL     1      18.916   6.775   0.794  1.00  0.00           C  
HETATM   81  C   UNL     1      18.393   5.509   0.532  1.00  0.00           C  
HETATM   82  C   UNL     1      19.229   4.308   0.734  1.00  0.00           C  
HETATM   83  O   UNL     1      18.774   3.204   0.505  1.00  0.00           O  
HETATM   84  N   UNL     1      20.497   4.436   1.172  1.00  0.00           N  
HETATM   85  C   UNL     1      21.281   3.311   1.361  1.00  0.00           C  
HETATM   86  N   UNL     1      20.896   2.101   1.143  1.00  0.00           N  
HETATM   87  C   UNL     1      21.777   1.107   1.374  1.00  0.00           C  
HETATM   88  C   UNL     1      23.013   1.572   1.831  1.00  0.00           C  
HETATM   89  S   UNL     1      22.946   3.330   1.926  1.00  0.00           S  
HETATM   90  C   UNL     1      21.600  -0.284   1.215  1.00  0.00           C  
HETATM   91  C   UNL     1      22.623  -1.151   1.504  1.00  0.00           C  
HETATM   92  C   UNL     1      23.845  -0.677   1.957  1.00  0.00           C  
HETATM   93  C   UNL     1      24.041   0.677   2.119  1.00  0.00           C  
HETATM   94  H   UNL     1     -25.618   7.629  -2.702  1.00  0.00           H  
HETATM   95  H   UNL     1     -21.877   6.073   0.817  1.00  0.00           H  
HETATM   96  H   UNL     1     -19.905   4.959   1.778  1.00  0.00           H  
HETATM   97  H   UNL     1     -18.304   4.378  -2.134  1.00  0.00           H  
HETATM   98  H   UNL     1     -17.566  -0.226   0.218  1.00  0.00           H  
HETATM   99  H   UNL     1     -19.170   0.833   2.230  1.00  0.00           H  
HETATM  100  H   UNL     1     -19.145  -0.909   1.799  1.00  0.00           H  
HETATM  101  H   UNL     1     -14.311  -2.085   2.546  1.00  0.00           H  
HETATM  102  H   UNL     1     -14.691   0.887   3.263  1.00  0.00           H  
HETATM  103  H   UNL     1     -14.391  -0.368   4.489  1.00  0.00           H  
HETATM  104  H   UNL     1     -13.329   1.058   4.396  1.00  0.00           H  
HETATM  105  H   UNL     1     -18.887   2.119   0.290  1.00  0.00           H  
HETATM  106  H   UNL     1     -17.585   4.333   1.464  1.00  0.00           H  
HETATM  107  H   UNL     1     -16.917   4.090  -0.168  1.00  0.00           H  
HETATM  108  H   UNL     1     -20.268   5.488  -3.115  1.00  0.00           H  
HETATM  109  H   UNL     1     -20.881   7.492  -4.263  1.00  0.00           H  
HETATM  110  H   UNL     1     -21.229   9.088  -3.555  1.00  0.00           H  
HETATM  111  H   UNL     1     -20.285   7.892  -2.634  1.00  0.00           H  
HETATM  112  H   UNL     1     -17.592   0.527   4.027  1.00  0.00           H  
HETATM  113  H   UNL     1     -18.320  -1.441   5.168  1.00  0.00           H  
HETATM  114  H   UNL     1     -15.824  -1.095   3.786  1.00  0.00           H  
HETATM  115  H   UNL     1     -16.858  -2.203   2.833  1.00  0.00           H  
HETATM  116  H   UNL     1     -12.537  -1.962   4.231  1.00  0.00           H  
HETATM  117  H   UNL     1     -11.355  -1.767   2.914  1.00  0.00           H  
HETATM  118  H   UNL     1     -11.400  -0.592   4.251  1.00  0.00           H  
HETATM  119  H   UNL     1     -11.659   1.270   2.605  1.00  0.00           H  
HETATM  120  H   UNL     1     -11.614   0.095   1.268  1.00  0.00           H  
HETATM  121  H   UNL     1     -12.981   1.227   1.413  1.00  0.00           H  
HETATM  122  H   UNL     1     -12.939  -1.493   0.036  1.00  0.00           H  
HETATM  123  H   UNL     1     -12.051  -3.917  -0.738  1.00  0.00           H  
HETATM  124  H   UNL     1     -10.675  -2.939  -0.174  1.00  0.00           H  
HETATM  125  H   UNL     1     -10.172  -4.645   1.554  1.00  0.00           H  
HETATM  126  H   UNL     1     -11.548  -5.623   0.990  1.00  0.00           H  
HETATM  127  H   UNL     1      -8.641  -6.460   0.964  1.00  0.00           H  
HETATM  128  H   UNL     1     -10.017  -7.438   0.400  1.00  0.00           H  
HETATM  129  H   UNL     1      -7.984  -8.183  -0.743  1.00  0.00           H  
HETATM  130  H   UNL     1      -9.049  -7.374  -1.918  1.00  0.00           H  
HETATM  131  H   UNL     1      -6.043  -7.650  -2.135  1.00  0.00           H  
HETATM  132  H   UNL     1      -7.108  -6.842  -3.310  1.00  0.00           H  
HETATM  133  H   UNL     1      -4.852  -5.910  -3.501  1.00  0.00           H  
HETATM  134  H   UNL     1      -5.935  -4.677  -2.811  1.00  0.00           H  
HETATM  135  H   UNL     1      -2.935  -4.820  -2.442  1.00  0.00           H  
HETATM  136  H   UNL     1      -4.018  -3.586  -1.752  1.00  0.00           H  
HETATM  137  H   UNL     1      -2.009  -3.755  -0.364  1.00  0.00           H  
HETATM  138  H   UNL     1      -3.399  -4.397   0.544  1.00  0.00           H  
HETATM  139  H   UNL     1      -0.496  -5.129   0.981  1.00  0.00           H  
HETATM  140  H   UNL     1      -1.886  -5.771   1.889  1.00  0.00           H  
HETATM  141  H   UNL     1      -0.047  -7.384   1.994  1.00  0.00           H  
HETATM  142  H   UNL     1      -1.355  -8.056   0.990  1.00  0.00           H  
HETATM  143  H   UNL     1       1.574  -8.797   0.827  1.00  0.00           H  
HETATM  144  H   UNL     1       0.266  -9.470  -0.176  1.00  0.00           H  
HETATM  145  H   UNL     1       2.387  -9.679  -1.380  1.00  0.00           H  
HETATM  146  H   UNL     1       1.369  -8.469  -2.199  1.00  0.00           H  
HETATM  147  H   UNL     1       4.390  -8.619  -2.304  1.00  0.00           H  
HETATM  148  H   UNL     1       3.372  -7.410  -3.123  1.00  0.00           H  
HETATM  149  H   UNL     1       7.768  -5.109  -3.252  1.00  0.00           H  
HETATM  150  H   UNL     1       9.447  -3.376  -2.779  1.00  0.00           H  
HETATM  151  H   UNL     1       5.821  -4.221   0.465  1.00  0.00           H  
HETATM  152  H   UNL     1       7.503  -2.488   0.924  1.00  0.00           H  
HETATM  153  H   UNL     1      11.099  -2.610  -1.731  1.00  0.00           H  
HETATM  154  H   UNL     1      10.086  -1.410  -2.570  1.00  0.00           H  
HETATM  155  H   UNL     1      10.915   0.358  -1.041  1.00  0.00           H  
HETATM  156  H   UNL     1      11.927  -0.841  -0.202  1.00  0.00           H  
HETATM  157  H   UNL     1      13.141  -1.295  -2.316  1.00  0.00           H  
HETATM  158  H   UNL     1      12.129  -0.096  -3.155  1.00  0.00           H  
HETATM  159  HXT UNL     1      16.429  -1.736   0.528  1.00  0.00           H  
HETATM  160  H   UNL     1      13.406   4.874  -0.951  1.00  0.00           H  
HETATM  161  H   UNL     1      14.235   4.752   0.621  1.00  0.00           H  
HETATM  162  H   UNL     1      14.844   6.685  -1.657  1.00  0.00           H  
HETATM  163  H   UNL     1      14.255   7.089  -0.027  1.00  0.00           H  
HETATM  164  H   UNL     1      16.301   3.510   0.757  1.00  0.00           H  
HETATM  165  H   UNL     1      17.310   3.406  -0.702  1.00  0.00           H  
HETATM  166  H   UNL     1      16.220   8.633   0.006  1.00  0.00           H  
HETATM  167  H   UNL     1      18.530   8.875   0.806  1.00  0.00           H  
HETATM  168  H   UNL     1      19.932   6.879   1.145  1.00  0.00           H  
HETATM  169  H   UNL     1      20.861   5.316   1.354  1.00  0.00           H  
HETATM  170  H   UNL     1      20.654  -0.668   0.863  1.00  0.00           H  
HETATM  171  H   UNL     1      22.475  -2.214   1.379  1.00  0.00           H  
HETATM  172  H   UNL     1      24.643  -1.368   2.181  1.00  0.00           H  
HETATM  173  H   UNL     1      24.993   1.045   2.471  1.00  0.00           H  
CONECT    1   20   20   21   94                                       
CONECT    2   17    3    3   16                                       
CONECT    3    2    2    4   95                                       
CONECT    4    3   15   15   96                                       
CONECT    5   16   16   15   97                                       
CONECT    6   12    7   25   98                                       
CONECT    7   22    6   99  100                                       
CONECT    8   25    9   26   26                                       
CONECT    9   27    8   30  101                                       
CONECT   10   27  102  103  104                                       
CONECT   11   12   12                                                 
CONECT   12   11   11   13    6                                       
CONECT   13   12   14  105                                            
CONECT   14   15   13  106  107                                       
CONECT   15    4    4    5   14                                       
CONECT   16    2    5    5  108                                       
CONECT   17   21   18   18    2                                       
CONECT   18   20   17   17   19                                       
CONECT   19   18  109  110  111                                       
CONECT   20    1    1   18                                            
CONECT   21    1   17                                                 
CONECT   22   24    7   23  112                                       
CONECT   23   22  113                                                 
CONECT   24   22   25  114  115                                       
CONECT   25   24    6    8                                            
CONECT   26    8    8                                                 
CONECT   27   10   29   28    9                                       
CONECT   28   27  116  117  118                                       
CONECT   29   27  119  120  121                                       
CONECT   30    9   31  122                                            
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34  123  124                                       
CONECT   34   35   33  125  126                                       
CONECT   35   36   34                                                 
CONECT   36   35   37  127  128                                       
CONECT   37   36   38  129  130                                       
CONECT   38   37   39                                                 
CONECT   39   38   40  131  132                                       
CONECT   40   39   41  133  134                                       
CONECT   41   40   42                                                 
CONECT   42   41   43  135  136                                       
CONECT   43   42   44  137  138                                       
CONECT   44   45   43                                                 
CONECT   45   44   46  139  140                                       
CONECT   46   47   45  141  142                                       
CONECT   47   48   46                                                 
CONECT   48   49   47  143  144                                       
CONECT   49   50   48  145  146                                       
CONECT   50   51   49                                                 
CONECT   51   52   50  147  148                                       
CONECT   52   53   53   53   51                                       
CONECT   53   54   52   52   52                                       
CONECT   54   57   57   55   53                                       
CONECT   55   56   56   54  149                                       
CONECT   56   59   55   55  150                                       
CONECT   57   58   54   54  151                                       
CONECT   58   59   59   57  152                                       
CONECT   59   60   58   58   56                                       
CONECT   60   61   59                                                 
CONECT   61   62   60  153  154                                       
CONECT   62   63   61  155  156                                       
CONECT   63   62   64  157  158                                       
CONECT   64   69   63   65   65                                       
CONECT   65   71   64   64   66                                       
CONECT   66   65   67   67   68                                       
CONECT   67   66   66                                                 
CONECT   68   66  159                                                 
CONECT   69   70   64                                                 
CONECT   70   72   69   71   71                                       
CONECT   71   70   70   65                                            
CONECT   72   77   73   70                                            
CONECT   73   74   72  160  161                                       
CONECT   74   75   73  162  163                                       
CONECT   75   78   78   76   74                                       
CONECT   76   81   81   75   77                                       
CONECT   77   76   72  164  165                                       
CONECT   78   79   75   75  166                                       
CONECT   79   80   80   78  167                                       
CONECT   80   79   79   81  168                                       
CONECT   81   80   82   76   76                                       
CONECT   82   84   81   83   83                                       
CONECT   83   82   82                                                 
CONECT   84   85   82  169                                            
CONECT   85   86   86   84   89                                       
CONECT   86   87   85   85                                            
CONECT   87   90   86   88   88                                       
CONECT   88   87   87   93   89                                       
CONECT   89   88   85                                                 
CONECT   90   91   91   87  170                                       
CONECT   91   90   90   92  171                                       
CONECT   92   91   93   93  172                                       
CONECT   93   92   92   88  173                                       
CONECT   94    1                                                      
CONECT   95    3                                                      
CONECT   96    4                                                      
CONECT   97    5                                                      
CONECT   98    6                                                      
CONECT   99    7                                                      
CONECT  100    7                                                      
CONECT  101    9                                                      
CONECT  102   10                                                      
CONECT  103   10                                                      
CONECT  104   10                                                      
CONECT  105   13                                                      
CONECT  106   14                                                      
CONECT  107   14                                                      
CONECT  108   16                                                      
CONECT  109   19                                                      
CONECT  110   19                                                      
CONECT  111   19                                                      
CONECT  112   22                                                      
CONECT  113   23                                                      
CONECT  114   24                                                      
CONECT  115   24                                                      
CONECT  116   28                                                      
CONECT  117   28                                                      
CONECT  118   28                                                      
CONECT  119   29                                                      
CONECT  120   29                                                      
CONECT  121   29                                                      
CONECT  122   30                                                      
CONECT  123   33                                                      
CONECT  124   33                                                      
CONECT  125   34                                                      
CONECT  126   34                                                      
CONECT  127   36                                                      
CONECT  128   36                                                      
CONECT  129   37                                                      
CONECT  130   37                                                      
CONECT  131   39                                                      
CONECT  132   39                                                      
CONECT  133   40                                                      
CONECT  134   40                                                      
CONECT  135   42                                                      
CONECT  136   42                                                      
CONECT  137   43                                                      
CONECT  138   43                                                      
CONECT  139   45                                                      
CONECT  140   45                                                      
CONECT  141   46                                                      
CONECT  142   46                                                      
CONECT  143   48                                                      
CONECT  144   48                                                      
CONECT  145   49                                                      
CONECT  146   49                                                      
CONECT  147   51                                                      
CONECT  148   51                                                      
CONECT  149   55                                                      
CONECT  150   56                                                      
CONECT  151   57                                                      
CONECT  152   58                                                      
CONECT  153   61                                                      
CONECT  154   61                                                      
CONECT  155   62                                                      
CONECT  156   62                                                      
CONECT  157   63                                                      
CONECT  158   63                                                      
CONECT  159   68                                                      
CONECT  160   73                                                      
CONECT  161   73                                                      
CONECT  162   74                                                      
CONECT  163   74                                                      
CONECT  164   77                                                      
CONECT  165   77                                                      
CONECT  166   78                                                      
CONECT  167   79                                                      
CONECT  168   80                                                      
CONECT  169   84                                                      
CONECT  170   90                                                      
CONECT  171   91                                                      
CONECT  172   92                                                      
CONECT  173   93                                                      
MASTER        0    0    0    0    0    0    0    0  173    0  173    0
END
