COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.285  -2.520  -0.599  1.00  0.00           N  
HETATM    2  C   UNL     1       1.094  -2.591   0.252  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.142  -2.488  -0.604  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.038  -2.368  -1.806  1.00  0.00           O  
HETATM    5  C   UNL     1       1.084  -3.922   1.005  1.00  0.00           C  
HETATM    6  C   UNL     1       2.255  -3.973   1.953  1.00  0.00           C  
HETATM    7  C   UNL     1       3.468  -4.481   1.527  1.00  0.00           C  
HETATM    8  C   UNL     1       2.118  -3.505   3.246  1.00  0.00           C  
HETATM    9  C   UNL     1       4.543  -4.522   2.394  1.00  0.00           C  
HETATM   10  C   UNL     1       3.192  -3.550   4.115  1.00  0.00           C  
HETATM   11  C   UNL     1       4.406  -4.055   3.688  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.287   0.443  -0.684  1.00  0.00           C  
HETATM   13  C   UNL     1     -10.498  -0.124   0.059  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.024  -3.661  -1.427  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.560  -2.321  -0.850  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.655  -1.736   0.004  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.180   0.983   0.671  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.679  -0.405   0.265  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.964  -0.271  -0.512  1.00  0.00           C  
HETATM   20  C   UNL     1       3.455  -2.091  -0.086  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.957   0.840   1.579  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.358   2.197   1.875  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.414   2.414   3.242  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.371   0.289   2.953  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.817   3.151   1.035  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.326   4.335   1.554  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.377   4.562   2.917  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.916   3.612   3.759  1.00  0.00           C  
HETATM   29  C   UNL     1     -10.381  -1.647   0.138  1.00  0.00           C  
HETATM   30  C   UNL     1     -11.650  -2.224   0.770  1.00  0.00           C  
HETATM   31  C   UNL     1     -12.565  -4.424   1.380  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.266  -3.440  -2.293  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.805  -4.792  -2.766  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.046  -4.571  -3.632  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.676  -3.717  -4.846  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.138  -2.365  -4.373  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.896  -2.586  -3.507  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.984   3.147   1.348  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.688   2.221   2.338  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.662   2.469   3.229  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.930   3.639   3.135  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.224   4.563   2.150  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.249   4.320   1.256  1.00  0.00           C  
HETATM   44  N   UNL     1      -8.073   0.193   0.097  1.00  0.00           N  
HETATM   45  N   UNL     1      -1.362  -2.530  -0.034  1.00  0.00           N  
HETATM   46  N   UNL     1      -4.670  -1.062  -0.571  1.00  0.00           N  
HETATM   47  N   UNL     1      -3.994   1.336   3.912  1.00  0.00           N  
HETATM   48  N   UNL     1     -11.538  -3.683   0.845  1.00  0.00           N  
HETATM   49  N   UNL     1     -13.696  -3.797   1.845  1.00  0.00           N  
HETATM   50  N   UNL     1     -12.465  -5.722   1.448  1.00  0.00           N  
HETATM   51  O   UNL     1     -10.605   2.504  -2.058  1.00  0.00           O  
HETATM   52  O   UNL     1      -3.622  -1.872   1.209  1.00  0.00           O  
HETATM   53  O   UNL     1      -6.999  -0.579  -1.684  1.00  0.00           O  
HETATM   54  O   UNL     1       3.521  -1.759   1.079  1.00  0.00           O  
HETATM   55  O   UNL     1      -9.990   2.903   0.467  1.00  0.00           O  
HETATM   56  P   UNL     1      -9.502   2.238  -0.916  1.00  0.00           P  
HETATM   57  H   UNL     1       2.232  -2.785  -1.530  1.00  0.00           H  
HETATM   58  H   UNL     1       1.110  -1.768   0.968  1.00  0.00           H  
HETATM   59  H   UNL     1       0.156  -4.014   1.569  1.00  0.00           H  
HETATM   60  H   UNL     1       1.158  -4.744   0.292  1.00  0.00           H  
HETATM   61  H   UNL     1       3.575  -4.847   0.516  1.00  0.00           H  
HETATM   62  H   UNL     1       1.171  -3.103   3.578  1.00  0.00           H  
HETATM   63  H   UNL     1       5.491  -4.916   2.060  1.00  0.00           H  
HETATM   64  H   UNL     1       3.085  -3.184   5.126  1.00  0.00           H  
HETATM   65  H   UNL     1       5.246  -4.087   4.366  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.199  -0.041  -1.657  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.532   0.291   1.067  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.410   0.144  -0.475  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.228  -4.089  -2.036  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.266  -4.343  -0.612  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.329  -1.635  -1.665  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.907   1.546  -0.221  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.970   1.511   1.206  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.856  -1.004   1.159  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.215   0.190   1.116  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.446   0.117   2.984  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.833  -0.635   3.168  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.778   2.972  -0.030  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.903   5.080   0.896  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.993   5.486   3.323  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.953   3.796   4.823  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.257  -2.055  -0.865  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.518  -1.914   0.748  1.00  0.00           H  
HETATM   84  H   UNL     1     -11.774  -1.817   1.773  1.00  0.00           H  
HETATM   85  H   UNL     1     -12.513  -1.957   0.160  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.030  -2.928  -1.708  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.040  -5.303  -3.350  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.068  -5.400  -1.901  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.430  -5.534  -3.968  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.811  -4.060  -3.047  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.912  -4.229  -5.431  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.561  -3.560  -5.463  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.874  -1.757  -5.238  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.902  -1.854  -3.789  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.512  -1.623  -3.171  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.131  -3.097  -4.092  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.259   1.308   2.412  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.431   1.749   4.000  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.129   3.831   3.833  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.651   5.476   2.079  1.00  0.00           H  
HETATM  101  H   UNL     1      -8.477   5.042   0.486  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.068   0.361   1.052  1.00  0.00           H  
HETATM  103  H   UNL     1      -1.447  -2.699   0.918  1.00  0.00           H  
HETATM  104  H   UNL     1      -4.733  -1.011  -1.537  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.129   1.285   4.871  1.00  0.00           H  
HETATM  106  H   UNL     1     -10.739  -4.126   0.518  1.00  0.00           H  
HETATM  107  H   UNL     1     -13.771  -2.831   1.795  1.00  0.00           H  
HETATM  108  H   UNL     1     -14.421  -4.320   2.222  1.00  0.00           H  
HETATM  109  H   UNL     1     -13.189  -6.245   1.825  1.00  0.00           H  
HETATM  110  C   UNL     1     -10.803   3.819  -2.339  1.00  0.00           C  
HETATM  111  C   UNL     1      -9.989   4.463  -3.260  1.00  0.00           C  
HETATM  112  C   UNL     1     -10.193   5.799  -3.544  1.00  0.00           C  
HETATM  113  C   UNL     1     -11.207   6.495  -2.913  1.00  0.00           C  
HETATM  114  C   UNL     1     -12.019   5.856  -1.995  1.00  0.00           C  
HETATM  115  C   UNL     1     -11.824   4.518  -1.711  1.00  0.00           C  
HETATM  116  O   UNL     1      -8.213   2.840  -1.325  1.00  0.00           O  
HETATM  117  C   UNL     1       4.681  -2.024  -0.959  1.00  0.00           C  
HETATM  118  C   UNL     1       5.865  -1.508  -0.138  1.00  0.00           C  
HETATM  119  C   UNL     1       7.110  -1.440  -1.025  1.00  0.00           C  
HETATM  120  C   UNL     1       8.293  -0.924  -0.204  1.00  0.00           C  
HETATM  121  C   UNL     1       9.538  -0.856  -1.091  1.00  0.00           C  
HETATM  122  N   UNL     1      10.671  -0.362  -0.305  1.00  0.00           N  
HETATM  123  C   UNL     1      11.881  -0.219  -0.883  1.00  0.00           C  
HETATM  124  C   UNL     1      13.047   0.289  -0.074  1.00  0.00           C  
HETATM  125  C   UNL     1      14.291   0.357  -0.961  1.00  0.00           C  
HETATM  126  C   UNL     1      15.475   0.873  -0.140  1.00  0.00           C  
HETATM  127  C   UNL     1      16.720   0.941  -1.027  1.00  0.00           C  
HETATM  128  C   UNL     1      17.903   1.457  -0.206  1.00  0.00           C  
HETATM  129  O   UNL     1      12.031  -0.499  -2.053  1.00  0.00           O  
HETATM  130  C   UNL     1      19.202   1.419  -1.036  1.00  0.00           C  
HETATM  131  C   UNL     1      20.114   2.618  -0.747  1.00  0.00           C  
HETATM  132  C   UNL     1      19.515   3.572   0.305  1.00  0.00           C  
HETATM  133  S   UNL     1      17.710   3.248   0.163  1.00  0.00           S  
HETATM  134  N   UNL     1      21.340   2.010  -0.206  1.00  0.00           N  
HETATM  135  C   UNL     1      21.191   0.678  -0.175  1.00  0.00           C  
HETATM  136  N   UNL     1      20.003   0.255  -0.629  1.00  0.00           N  
HETATM  137  O   UNL     1      22.054  -0.077   0.229  1.00  0.00           O  
HETATM  138  H   UNL     1      -9.196   3.920  -3.753  1.00  0.00           H  
HETATM  139  H   UNL     1      -9.559   6.301  -4.260  1.00  0.00           H  
HETATM  140  H   UNL     1     -11.364   7.540  -3.136  1.00  0.00           H  
HETATM  141  H   UNL     1     -12.811   6.401  -1.502  1.00  0.00           H  
HETATM  142  H   UNL     1     -12.459   4.019  -0.994  1.00  0.00           H  
HETATM  143  H   UNL     1       4.910  -3.019  -1.341  1.00  0.00           H  
HETATM  144  H   UNL     1       4.496  -1.348  -1.794  1.00  0.00           H  
HETATM  145  H   UNL     1       5.636  -0.513   0.243  1.00  0.00           H  
HETATM  146  H   UNL     1       6.050  -2.184   0.696  1.00  0.00           H  
HETATM  147  H   UNL     1       7.339  -2.435  -1.407  1.00  0.00           H  
HETATM  148  H   UNL     1       6.925  -0.764  -1.860  1.00  0.00           H  
HETATM  149  H   UNL     1       8.064   0.071   0.177  1.00  0.00           H  
HETATM  150  H   UNL     1       8.478  -1.600   0.631  1.00  0.00           H  
HETATM  151  H   UNL     1       9.767  -1.851  -1.473  1.00  0.00           H  
HETATM  152  H   UNL     1       9.353  -0.180  -1.926  1.00  0.00           H  
HETATM  153  H   UNL     1      10.551  -0.138   0.631  1.00  0.00           H  
HETATM  154  H   UNL     1      12.818   1.284   0.308  1.00  0.00           H  
HETATM  155  H   UNL     1      13.232  -0.387   0.761  1.00  0.00           H  
HETATM  156  H   UNL     1      14.520  -0.638  -1.343  1.00  0.00           H  
HETATM  157  H   UNL     1      14.106   1.033  -1.796  1.00  0.00           H  
HETATM  158  H   UNL     1      15.246   1.868   0.242  1.00  0.00           H  
HETATM  159  H   UNL     1      15.660   0.197   0.695  1.00  0.00           H  
HETATM  160  H   UNL     1      16.949  -0.054  -1.409  1.00  0.00           H  
HETATM  161  H   UNL     1      16.535   1.617  -1.862  1.00  0.00           H  
HETATM  162  H   UNL     1      18.015   0.880   0.713  1.00  0.00           H  
HETATM  163  H   UNL     1      18.968   1.370  -2.099  1.00  0.00           H  
HETATM  164  H   UNL     1      20.330   3.159  -1.668  1.00  0.00           H  
HETATM  165  H   UNL     1      19.875   3.323   1.303  1.00  0.00           H  
HETATM  166  H   UNL     1      19.741   4.609   0.059  1.00  0.00           H  
HETATM  167  H   UNL     1      22.129   2.494   0.083  1.00  0.00           H  
HETATM  168  H   UNL     1      19.718  -0.671  -0.682  1.00  0.00           H  
CONECT    1    2   20   57                                            
CONECT    2    5    1    3   58                                       
CONECT    3    2   45    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    6    2   59   60                                       
CONECT    6    7    7    8    5                                       
CONECT    7    9    6    6   61                                       
CONECT    8   10   10    6   62                                       
CONECT    9   11   11    7   63                                       
CONECT   10   11    8    8   64                                       
CONECT   11    9    9   10   65                                       
CONECT   12   44   56   13   66                                       
CONECT   13   12   29   67   68                                       
CONECT   14   32   15   69   70                                       
CONECT   15   45   14   16   71                                       
CONECT   16   46   15   52   52                                       
CONECT   17   21   18   72   73                                       
CONECT   18   17   46   19   74                                       
CONECT   19   18   44   53   53                                       
CONECT   20   54   54    1  117                                       
CONECT   21   24   22   17   75                                       
CONECT   22   23   23   25   21                                       
CONECT   23   28   47   22   22                                       
CONECT   24   47   21   76   77                                       
CONECT   25   26   26   22   78                                       
CONECT   26   27   25   25   79                                       
CONECT   27   28   28   26   80                                       
CONECT   28   27   27   23   81                                       
CONECT   29   13   30   82   83                                       
CONECT   30   29   48   84   85                                       
CONECT   31   48   50   50   49                                       
CONECT   32   37   14   33   86                                       
CONECT   33   32   34   87   88                                       
CONECT   34   35   33   89   90                                       
CONECT   35   36   34   91   92                                       
CONECT   36   37   35   93   94                                       
CONECT   37   32   36   95   96                                       
CONECT   38   55   39   39   43                                       
CONECT   39   38   38   40   97                                       
CONECT   40   39   41   41   98                                       
CONECT   41   40   40   42   99                                       
CONECT   42   43   43   41  100                                       
CONECT   43   38   42   42  101                                       
CONECT   44   19   12  102                                            
CONECT   45    3   15  103                                            
CONECT   46   18   16  104                                            
CONECT   47   23   24  105                                            
CONECT   48   30   31  106                                            
CONECT   49   31  107  108                                            
CONECT   50   31   31  109                                            
CONECT   51   56  110                                                 
CONECT   52   16   16                                                 
CONECT   53   19   19                                                 
CONECT   54   20   20                                                 
CONECT   55   38   56                                                 
CONECT   56   55   12   51  116                                       
CONECT   56  116                                                      
CONECT   57    1                                                      
CONECT   58    2                                                      
CONECT   59    5                                                      
CONECT   60    5                                                      
CONECT   61    7                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   13                                                      
CONECT   68   13                                                      
CONECT   69   14                                                      
CONECT   70   14                                                      
CONECT   71   15                                                      
CONECT   72   17                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   21                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   30                                                      
CONECT   86   32                                                      
CONECT   87   33                                                      
CONECT   88   33                                                      
CONECT   89   34                                                      
CONECT   90   34                                                      
CONECT   91   35                                                      
CONECT   92   35                                                      
CONECT   93   36                                                      
CONECT   94   36                                                      
CONECT   95   37                                                      
CONECT   96   37                                                      
CONECT   97   39                                                      
CONECT   98   40                                                      
CONECT   99   41                                                      
CONECT  100   42                                                      
CONECT  101   43                                                      
CONECT  102   44                                                      
CONECT  103   45                                                      
CONECT  104   46                                                      
CONECT  105   47                                                      
CONECT  106   48                                                      
CONECT  107   49                                                      
CONECT  108   49                                                      
CONECT  109   50                                                      
CONECT  110   51  111  115  115                                       
CONECT  111  110  112  112  138                                       
CONECT  112  111  111  113  139                                       
CONECT  113  112  114  114  140                                       
CONECT  114  113  113  115  141                                       
CONECT  115  114  110  110  142                                       
CONECT  116   56   56                                                 
CONECT  117   20  118  143  144                                       
CONECT  118  117  119  145  146                                       
CONECT  119  118  120  147  148                                       
CONECT  120  119  121  149  150                                       
CONECT  121  120  122  151  152                                       
CONECT  122  121  123  153                                            
CONECT  123  122  124  129  129                                       
CONECT  124  123  125  154  155                                       
CONECT  125  124  126  156  157                                       
CONECT  126  125  127  158  159                                       
CONECT  127  126  128  160  161                                       
CONECT  128  127  130  133  162                                       
CONECT  129  123  123                                                 
CONECT  130  128  131  136  163                                       
CONECT  131  130  132  134  164                                       
CONECT  132  131  133  165  166                                       
CONECT  133  132  128                                                 
CONECT  134  131  135  167                                            
CONECT  135  134  136  137  137                                       
CONECT  136  135  130  168                                            
CONECT  137  135  135                                                 
CONECT  138  111                                                      
CONECT  139  112                                                      
CONECT  140  113                                                      
CONECT  141  114                                                      
CONECT  142  115                                                      
CONECT  143  117                                                      
CONECT  144  117                                                      
CONECT  145  118                                                      
CONECT  146  118                                                      
CONECT  147  119                                                      
CONECT  148  119                                                      
CONECT  149  120                                                      
CONECT  150  120                                                      
CONECT  151  121                                                      
CONECT  152  121                                                      
CONECT  153  122                                                      
CONECT  154  124                                                      
CONECT  155  124                                                      
CONECT  156  125                                                      
CONECT  157  125                                                      
CONECT  158  126                                                      
CONECT  159  126                                                      
CONECT  160  127                                                      
CONECT  161  127                                                      
CONECT  162  128                                                      
CONECT  163  130                                                      
CONECT  164  131                                                      
CONECT  165  132                                                      
CONECT  166  132                                                      
CONECT  167  134                                                      
CONECT  168  136                                                      
MASTER        0    0    0    0    0    0    0    0  168    0  168    0
END
