COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -20.825 -10.212  -1.603  1.00  0.00           C  
HETATM    2  N   UNL     1     -19.542 -10.716  -1.108  1.00  0.00           N  
HETATM    3  O   UNL     1     -19.389  -7.839  -1.012  1.00  0.00           O  
HETATM    4  C   UNL     1     -19.177 -12.020  -0.989  1.00  0.00           C  
HETATM    5  N   UNL     1     -17.517 -10.779  -0.316  1.00  0.00           N  
HETATM    6  O   UNL     1     -16.059  -2.184   0.361  1.00  0.00           O  
HETATM    7  C   UNL     1     -17.914 -12.036  -0.495  1.00  0.00           C  
HETATM    8  N   UNL     1     -17.319  -7.867  -0.205  1.00  0.00           N  
HETATM    9  O   UNL     1     -11.638   1.560   2.035  1.00  0.00           O  
HETATM   10  C   UNL     1     -18.482  -9.963  -0.686  1.00  0.00           C  
HETATM   11  N   UNL     1     -16.236  -5.732   0.245  1.00  0.00           N  
HETATM   12  O   UNL     1     -12.225   7.545   1.567  1.00  0.00           O  
HETATM   13  C   UNL     1     -18.430  -8.491  -0.646  1.00  0.00           C  
HETATM   14  N   UNL     1     -17.813  -4.354  -0.352  1.00  0.00           N  
HETATM   15  O   UNL     1      -5.206   7.359   3.389  1.00  0.00           O  
HETATM   16  C   UNL     1     -16.543  -4.455   0.142  1.00  0.00           C  
HETATM   17  N   UNL     1     -14.428  -3.561   0.978  1.00  0.00           N  
HETATM   18  O   UNL     1       0.249   4.660   0.576  1.00  0.00           O  
HETATM   19  C   UNL     1     -18.546  -3.115  -0.622  1.00  0.00           C  
HETATM   20  N   UNL     1     -11.843  -1.322   2.009  1.00  0.00           N  
HETATM   21  O   UNL     1       4.023   2.489  -3.596  1.00  0.00           O  
HETATM   22  C   UNL     1     -18.269  -5.622  -0.546  1.00  0.00           C  
HETATM   23  N   UNL     1     -13.759   1.822   1.426  1.00  0.00           N  
HETATM   24  O   UNL     1       9.718   1.041  -2.216  1.00  0.00           O  
HETATM   25  C   UNL     1     -17.270  -6.467  -0.168  1.00  0.00           C  
HETATM   26  N   UNL     1     -14.083   5.370   1.161  1.00  0.00           N  
HETATM   27  O   UNL     1      13.570  -1.024  -6.377  1.00  0.00           O  
HETATM   28  C   UNL     1     -15.666  -3.327   0.499  1.00  0.00           C  
HETATM   29  N   UNL     1     -10.505   6.166   1.841  1.00  0.00           N  
HETATM   30  C   UNL     1     -12.811  -0.413   1.648  1.00  0.00           C  
HETATM   31  N   UNL     1      -7.461   8.766   3.339  1.00  0.00           N  
HETATM   32  C   UNL     1     -10.514  -0.992   2.530  1.00  0.00           C  
HETATM   33  C   UNL     1     -12.326  -2.576   1.809  1.00  0.00           C  
HETATM   34  C   UNL     1     -13.591  -2.484   1.318  1.00  0.00           C  
HETATM   35  N   UNL     1      -5.110   6.916   1.217  1.00  0.00           N  
HETATM   36  C   UNL     1     -13.910  -1.122   1.211  1.00  0.00           C  
HETATM   37  N   UNL     1      -3.060   5.935   0.336  1.00  0.00           N  
HETATM   38  C   UNL     1     -12.695   1.047   1.716  1.00  0.00           C  
HETATM   39  N   UNL     1      -1.872   5.800   2.156  1.00  0.00           N  
HETATM   40  C   UNL     1     -12.746   5.279   1.476  1.00  0.00           C  
HETATM   41  N   UNL     1      -0.935   4.784  -1.300  1.00  0.00           N  
HETATM   42  C   UNL     1     -14.821   6.613   0.923  1.00  0.00           C  
HETATM   43  N   UNL     1       1.297   3.434  -3.741  1.00  0.00           N  
HETATM   44  C   UNL     1     -14.604   4.116   1.104  1.00  0.00           C  
HETATM   45  N   UNL     1       4.080   2.668  -1.382  1.00  0.00           N  
HETATM   46  C   UNL     1     -12.440   3.942   1.620  1.00  0.00           C  
HETATM   47  N   UNL     1       7.425   1.700  -0.586  1.00  0.00           N  
HETATM   48  C   UNL     1     -13.619   3.221   1.382  1.00  0.00           C  
HETATM   49  N   UNL     1       8.535   1.114  -4.096  1.00  0.00           N  
HETATM   50  C   UNL     1     -11.815   6.401   1.630  1.00  0.00           C  
HETATM   51  N   UNL     1      10.871  -0.007  -6.555  1.00  0.00           N  
HETATM   52  C   UNL     1      -9.558   7.283   1.885  1.00  0.00           C  
HETATM   53  N   UNL     1      13.706  -0.585  -4.203  1.00  0.00           N  
HETATM   54  C   UNL     1      -8.147   6.746   2.136  1.00  0.00           C  
HETATM   55  C   UNL     1      -7.158   7.912   2.182  1.00  0.00           C  
HETATM   56  C   UNL     1      -5.755   7.376   2.307  1.00  0.00           C  
HETATM   57  C   UNL     1      -0.762   5.529   3.074  1.00  0.00           C  
HETATM   58  C   UNL     1      -3.078   6.341   2.482  1.00  0.00           C  
HETATM   59  C   UNL     1      -3.804   6.417   1.333  1.00  0.00           C  
HETATM   60  C   UNL     1      -1.891   5.557   0.812  1.00  0.00           C  
HETATM   61  C   UNL     1      -0.790   4.972   0.027  1.00  0.00           C  
HETATM   62  C   UNL     1       2.087   3.334  -2.619  1.00  0.00           C  
HETATM   63  C   UNL     1       1.679   3.023  -5.094  1.00  0.00           C  
HETATM   64  C   UNL     1       0.101   3.973  -3.385  1.00  0.00           C  
HETATM   65  C   UNL     1       1.363   3.821  -1.551  1.00  0.00           C  
HETATM   66  C   UNL     1       0.116   4.225  -2.049  1.00  0.00           C  
HETATM   67  C   UNL     1       3.454   2.805  -2.568  1.00  0.00           C  
HETATM   68  C   UNL     1       6.238   1.976  -2.446  1.00  0.00           C  
HETATM   69  C   UNL     1       7.479   1.625  -1.959  1.00  0.00           C  
HETATM   70  C   UNL     1       8.533   1.413   0.329  1.00  0.00           C  
HETATM   71  C   UNL     1       6.176   2.089  -0.219  1.00  0.00           C  
HETATM   72  C   UNL     1       5.427   2.266  -1.340  1.00  0.00           C  
HETATM   73  C   UNL     1       8.647   1.242  -2.759  1.00  0.00           C  
HETATM   74  C   UNL     1      11.643  -0.133  -5.423  1.00  0.00           C  
HETATM   75  C   UNL     1      11.297  -0.332  -7.919  1.00  0.00           C  
HETATM   76  C   UNL     1       9.648   0.463  -6.198  1.00  0.00           C  
HETATM   77  C   UNL     1      10.878   0.267  -4.348  1.00  0.00           C  
HETATM   78  C   UNL     1       9.623   0.640  -4.850  1.00  0.00           C  
HETATM   79  C   UNL     1      13.030  -0.608  -5.369  1.00  0.00           C  
HETATM   80  C   UNL     1      15.051  -1.160  -4.124  1.00  0.00           C  
HETATM   81  C   UNL     1      15.590  -1.004  -2.701  1.00  0.00           C  
HETATM   82  C   UNL     1      16.994  -1.605  -2.619  1.00  0.00           C  
HETATM   83  C   UNL     1      18.751  -2.223  -1.071  1.00  0.00           C  
HETATM   84  C   UNL     1      19.123  -2.248   0.413  1.00  0.00           C  
HETATM   85  C   UNL     1      20.413  -3.049   0.601  1.00  0.00           C  
HETATM   86  C   UNL     1      21.877  -3.725   2.428  1.00  0.00           C  
HETATM   87  C   UNL     1      22.236  -3.749   3.862  1.00  0.00           C  
HETATM   88  C   UNL     1      23.384  -4.418   4.283  1.00  0.00           C  
HETATM   89  C   UNL     1      23.716  -4.436   5.636  1.00  0.00           C  
HETATM   90  C   UNL     1      22.896  -3.784   6.562  1.00  0.00           C  
HETATM   91  C   UNL     1      21.760  -3.124   6.138  1.00  0.00           C  
HETATM   92  C   UNL     1      21.430  -3.097   4.797  1.00  0.00           C  
HETATM   93  C   UNL     1      24.931  -5.143   6.091  1.00  0.00           C  
HETATM   94  C   UNL     1      17.717  -0.039  -0.919  1.00  0.00           C  
HETATM   95  N   UNL     1      17.512  -1.455  -1.252  1.00  0.00           N  
HETATM   96  N   UNL     1      20.769  -3.073   2.022  1.00  0.00           N  
HETATM   97  O   UNL     1      22.580  -4.293   1.616  1.00  0.00           O  
HETATM   98  O   UNL     1      25.250  -5.160   7.400  1.00  0.00           O  
HETATM   99  O   UNL     1      25.642  -5.709   5.286  1.00  0.00           O  
HETATM  100  H   UNL     1     -20.770 -10.075  -2.683  1.00  0.00           H  
HETATM  101  H   UNL     1     -21.612 -10.929  -1.367  1.00  0.00           H  
HETATM  102  H   UNL     1     -21.049  -9.258  -1.127  1.00  0.00           H  
HETATM  103  H   UNL     1     -19.779 -12.881  -1.240  1.00  0.00           H  
HETATM  104  H   UNL     1     -17.331 -12.920  -0.282  1.00  0.00           H  
HETATM  105  H   UNL     1     -16.554  -8.388   0.086  1.00  0.00           H  
HETATM  106  H   UNL     1     -14.115  -4.472   1.087  1.00  0.00           H  
HETATM  107  H   UNL     1     -18.355  -2.795  -1.646  1.00  0.00           H  
HETATM  108  H   UNL     1     -19.614  -3.288  -0.488  1.00  0.00           H  
HETATM  109  H   UNL     1     -18.215  -2.339   0.069  1.00  0.00           H  
HETATM  110  H   UNL     1     -19.239  -5.905  -0.928  1.00  0.00           H  
HETATM  111  H   UNL     1     -14.621   1.415   1.246  1.00  0.00           H  
HETATM  112  H   UNL     1     -10.189   5.257   1.964  1.00  0.00           H  
HETATM  113  H   UNL     1      -8.372   9.189   3.247  1.00  0.00           H  
HETATM  114  H   UNL     1      -7.389   8.246   4.201  1.00  0.00           H  
HETATM  115  H   UNL     1     -10.574  -0.835   3.606  1.00  0.00           H  
HETATM  116  H   UNL     1      -9.828  -1.813   2.320  1.00  0.00           H  
HETATM  117  H   UNL     1     -10.151  -0.084   2.049  1.00  0.00           H  
HETATM  118  H   UNL     1     -11.794  -3.494   2.007  1.00  0.00           H  
HETATM  119  H   UNL     1      -5.549   6.929   0.352  1.00  0.00           H  
HETATM  120  H   UNL     1     -14.841  -0.708   0.855  1.00  0.00           H  
HETATM  121  H   UNL     1      -1.764   5.033  -1.738  1.00  0.00           H  
HETATM  122  H   UNL     1     -14.844   6.821  -0.147  1.00  0.00           H  
HETATM  123  H   UNL     1     -15.840   6.507   1.294  1.00  0.00           H  
HETATM  124  H   UNL     1     -14.328   7.434   1.442  1.00  0.00           H  
HETATM  125  H   UNL     1     -15.630   3.872   0.875  1.00  0.00           H  
HETATM  126  H   UNL     1       3.601   2.846  -0.557  1.00  0.00           H  
HETATM  127  H   UNL     1     -11.474   3.528   1.868  1.00  0.00           H  
HETATM  128  H   UNL     1       7.704   1.347  -4.537  1.00  0.00           H  
HETATM  129  H   UNL     1      -9.580   7.815   0.934  1.00  0.00           H  
HETATM  130  H   UNL     1      -9.836   7.964   2.689  1.00  0.00           H  
HETATM  131  H   UNL     1      13.302  -0.187  -3.416  1.00  0.00           H  
HETATM  132  H   UNL     1      -8.126   6.213   3.087  1.00  0.00           H  
HETATM  133  H   UNL     1      -7.869   6.064   1.332  1.00  0.00           H  
HETATM  134  H   UNL     1      -7.244   8.497   1.266  1.00  0.00           H  
HETATM  135  H   UNL     1      -0.862   4.521   3.476  1.00  0.00           H  
HETATM  136  H   UNL     1       0.182   5.614   2.537  1.00  0.00           H  
HETATM  137  H   UNL     1      -0.782   6.250   3.891  1.00  0.00           H  
HETATM  138  H   UNL     1      -3.398   6.651   3.466  1.00  0.00           H  
HETATM  139  H   UNL     1       2.225   3.832  -5.579  1.00  0.00           H  
HETATM  140  H   UNL     1       2.313   2.138  -5.039  1.00  0.00           H  
HETATM  141  H   UNL     1       0.783   2.792  -5.670  1.00  0.00           H  
HETATM  142  H   UNL     1      -0.724   4.168  -4.053  1.00  0.00           H  
HETATM  143  H   UNL     1       1.695   3.882  -0.526  1.00  0.00           H  
HETATM  144  H   UNL     1       5.946   2.019  -3.485  1.00  0.00           H  
HETATM  145  H   UNL     1       8.571   0.343   0.530  1.00  0.00           H  
HETATM  146  H   UNL     1       9.471   1.731  -0.125  1.00  0.00           H  
HETATM  147  H   UNL     1       8.380   1.953   1.264  1.00  0.00           H  
HETATM  148  H   UNL     1       5.834   2.234   0.795  1.00  0.00           H  
HETATM  149  H   UNL     1      10.988  -1.349  -8.163  1.00  0.00           H  
HETATM  150  H   UNL     1      10.836   0.365  -8.618  1.00  0.00           H  
HETATM  151  H   UNL     1      12.382  -0.255  -7.989  1.00  0.00           H  
HETATM  152  H   UNL     1       8.829   0.663  -6.873  1.00  0.00           H  
HETATM  153  H   UNL     1      11.187   0.290  -3.313  1.00  0.00           H  
HETATM  154  H   UNL     1      15.009  -2.218  -4.383  1.00  0.00           H  
HETATM  155  H   UNL     1      15.709  -0.641  -4.821  1.00  0.00           H  
HETATM  156  H   UNL     1      15.631   0.054  -2.442  1.00  0.00           H  
HETATM  157  H   UNL     1      14.931  -1.523  -2.004  1.00  0.00           H  
HETATM  158  H   UNL     1      16.953  -2.662  -2.878  1.00  0.00           H  
HETATM  159  H   UNL     1      17.653  -1.086  -3.316  1.00  0.00           H  
HETATM  160  H   UNL     1      19.555  -1.756  -1.639  1.00  0.00           H  
HETATM  161  H   UNL     1      18.601  -3.243  -1.425  1.00  0.00           H  
HETATM  162  H   UNL     1      19.273  -1.229   0.767  1.00  0.00           H  
HETATM  163  H   UNL     1      18.319  -2.716   0.981  1.00  0.00           H  
HETATM  164  H   UNL     1      20.263  -4.069   0.247  1.00  0.00           H  
HETATM  165  H   UNL     1      21.217  -2.581   0.033  1.00  0.00           H  
HETATM  166  H   UNL     1      24.014  -4.920   3.563  1.00  0.00           H  
HETATM  167  H   UNL     1      23.152  -3.797   7.611  1.00  0.00           H  
HETATM  168  H   UNL     1      21.130  -2.623   6.857  1.00  0.00           H  
HETATM  169  H   UNL     1      20.542  -2.574   4.472  1.00  0.00           H  
HETATM  170  H   UNL     1      18.486   0.379  -1.569  1.00  0.00           H  
HETATM  171  H   UNL     1      16.785   0.507  -1.062  1.00  0.00           H  
HETATM  172  H   UNL     1      18.033   0.048   0.120  1.00  0.00           H  
HETATM  173  H   UNL     1      20.208  -2.620   2.671  1.00  0.00           H  
HETATM  174  H   UNL     1      26.054  -5.635   7.650  1.00  0.00           H  
CONECT    1    2  100  101  102                                       
CONECT    2    1    4   10                                            
CONECT    3   13   13                                                 
CONECT    4    2    7    7  103                                       
CONECT    5    7   10   10                                            
CONECT    6   28   28                                                 
CONECT    7    4    4    5  104                                       
CONECT    8   13   25  105                                            
CONECT    9   38   38                                                 
CONECT   10    2    5    5   13                                       
CONECT   11   25   16   16                                            
CONECT   12   50   50                                                 
CONECT   13   10    3    3    8                                       
CONECT   14   22   19   16                                            
CONECT   15   56   56                                                 
CONECT   16   14   11   11   28                                       
CONECT   17   28   34  106                                            
CONECT   18   61   61                                                 
CONECT   19   14  107  108  109                                       
CONECT   20   33   30   32                                            
CONECT   21   67   67                                                 
CONECT   22   25   25   14  110                                       
CONECT   23   48   38  111                                            
CONECT   24   73   73                                                 
CONECT   25    8   22   22   11                                       
CONECT   26   40   44   42                                            
CONECT   27   79   79                                                 
CONECT   28   16   17    6    6                                       
CONECT   29   52   50  112                                            
CONECT   30   36   36   20   38                                       
CONECT   31   55  113  114                                            
CONECT   32   20  115  116  117                                       
CONECT   33   34   34   20  118                                       
CONECT   34   17   36   33   33                                       
CONECT   35   56   59  119                                            
CONECT   36   34   30   30  120                                       
CONECT   37   59   60   60                                            
CONECT   38   30   23    9    9                                       
CONECT   39   60   58   57                                            
CONECT   40   46   46   50   26                                       
CONECT   41   66   61  121                                            
CONECT   42   26  122  123  124                                       
CONECT   43   62   64   63                                            
CONECT   44   48   48   26  125                                       
CONECT   45   72   67  126                                            
CONECT   46   48   40   40  127                                       
CONECT   47   69   70   71                                            
CONECT   48   23   46   44   44                                       
CONECT   49   78   73  128                                            
CONECT   50   29   40   12   12                                       
CONECT   51   75   74   76                                            
CONECT   52   54   29  129  130                                       
CONECT   53   80   79  131                                            
CONECT   54   55   52  132  133                                       
CONECT   55   54   31   56  134                                       
CONECT   56   55   35   15   15                                       
CONECT   57   39  135  136  137                                       
CONECT   58   59   59   39  138                                       
CONECT   59   35   37   58   58                                       
CONECT   60   37   37   61   39                                       
CONECT   61   41   60   18   18                                       
CONECT   62   65   65   67   43                                       
CONECT   63   43  139  140  141                                       
CONECT   64   66   66   43  142                                       
CONECT   65   62   62   66  143                                       
CONECT   66   65   41   64   64                                       
CONECT   67   45   21   21   62                                       
CONECT   68   69   69   72  144                                       
CONECT   69   73   68   68   47                                       
CONECT   70   47  145  146  147                                       
CONECT   71   47   72   72  148                                       
CONECT   72   68   71   71   45                                       
CONECT   73   49   24   24   69                                       
CONECT   74   79   51   77   77                                       
CONECT   75   51  149  150  151                                       
CONECT   76   51   78   78  152                                       
CONECT   77   74   74   78  153                                       
CONECT   78   76   76   77   49                                       
CONECT   79   27   27   53   74                                       
CONECT   80   81   53  154  155                                       
CONECT   81   82   80  156  157                                       
CONECT   82   95   81  158  159                                       
CONECT   83   84   95  160  161                                       
CONECT   84   85   83  162  163                                       
CONECT   85   96   84  164  165                                       
CONECT   86   97   97   87   96                                       
CONECT   87   88   86   92   92                                       
CONECT   88   89   89   87  166                                       
CONECT   89   93   88   88   90                                       
CONECT   90   89   91   91  167                                       
CONECT   91   90   90   92  168                                       
CONECT   92   87   87   91  169                                       
CONECT   93   99   99   98   89                                       
CONECT   94   95  170  171  172                                       
CONECT   95   94   83   82                                            
CONECT   96   86   85  173                                            
CONECT   97   86   86                                                 
CONECT   98   93  174                                                 
CONECT   99   93   93                                                 
CONECT  100    1                                                      
CONECT  101    1                                                      
CONECT  102    1                                                      
CONECT  103    4                                                      
CONECT  104    7                                                      
CONECT  105    8                                                      
CONECT  106   17                                                      
CONECT  107   19                                                      
CONECT  108   19                                                      
CONECT  109   19                                                      
CONECT  110   22                                                      
CONECT  111   23                                                      
CONECT  112   29                                                      
CONECT  113   31                                                      
CONECT  114   31                                                      
CONECT  115   32                                                      
CONECT  116   32                                                      
CONECT  117   32                                                      
CONECT  118   33                                                      
CONECT  119   35                                                      
CONECT  120   36                                                      
CONECT  121   41                                                      
CONECT  122   42                                                      
CONECT  123   42                                                      
CONECT  124   42                                                      
CONECT  125   44                                                      
CONECT  126   45                                                      
CONECT  127   46                                                      
CONECT  128   49                                                      
CONECT  129   52                                                      
CONECT  130   52                                                      
CONECT  131   53                                                      
CONECT  132   54                                                      
CONECT  133   54                                                      
CONECT  134   55                                                      
CONECT  135   57                                                      
CONECT  136   57                                                      
CONECT  137   57                                                      
CONECT  138   58                                                      
CONECT  139   63                                                      
CONECT  140   63                                                      
CONECT  141   63                                                      
CONECT  142   64                                                      
CONECT  143   65                                                      
CONECT  144   68                                                      
CONECT  145   70                                                      
CONECT  146   70                                                      
CONECT  147   70                                                      
CONECT  148   71                                                      
CONECT  149   75                                                      
CONECT  150   75                                                      
CONECT  151   75                                                      
CONECT  152   76                                                      
CONECT  153   77                                                      
CONECT  154   80                                                      
CONECT  155   80                                                      
CONECT  156   81                                                      
CONECT  157   81                                                      
CONECT  158   82                                                      
CONECT  159   82                                                      
CONECT  160   83                                                      
CONECT  161   83                                                      
CONECT  162   84                                                      
CONECT  163   84                                                      
CONECT  164   85                                                      
CONECT  165   85                                                      
CONECT  166   88                                                      
CONECT  167   90                                                      
CONECT  168   91                                                      
CONECT  169   92                                                      
CONECT  170   94                                                      
CONECT  171   94                                                      
CONECT  172   94                                                      
CONECT  173   96                                                      
CONECT  174   98                                                      
MASTER        0    0    0    0    0    0    0    0  174    0  174    0
END
