COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   0     -24.566  10.122  -2.442  1.00  0.00           N  
HETATM    2  C   UNK A   0     -14.784   0.414   0.849  1.00  0.00           C  
HETATM    3  C   UNK A   0     -13.143  -1.425   1.255  1.00  0.00           C  
HETATM    4  C   UNK A   0     -10.658  -3.975   2.722  1.00  0.00           C  
HETATM    5  C   UNK A   0      -9.872  -5.087   2.076  1.00  0.00           C  
HETATM    6  C   UNK A   0      -6.186  -7.263   0.261  1.00  0.00           C  
HETATM    7  C   UNK A   0     -16.426   2.253   0.443  1.00  0.00           C  
HETATM    8  C   UNK A   0     -17.225   3.382   1.098  1.00  0.00           C  
HETATM    9  C   UNK A   0     -18.068   4.092   0.037  1.00  0.00           C  
HETATM   10  C   UNK A   0     -18.866   5.221   0.692  1.00  0.00           C  
HETATM   11  C   UNK A   0     -19.709   5.931  -0.369  1.00  0.00           C  
HETATM   12  C   UNK A   0     -20.508   7.060   0.285  1.00  0.00           C  
HETATM   13  C   UNK A   0     -21.351   7.771  -0.775  1.00  0.00           C  
HETATM   14  C   UNK A   0     -22.149   8.899  -0.120  1.00  0.00           C  
HETATM   15  C   UNK A   0     -22.980   9.599  -1.165  1.00  0.00           C  
HETATM   16  C   UNK A   0     -15.583   1.543   1.504  1.00  0.00           C  
HETATM   17  C   UNK A   0     -13.941  -0.296   1.910  1.00  0.00           C  
HETATM   18  C   UNK A   0     -12.300  -2.135   2.316  1.00  0.00           C  
HETATM   19  C   UNK A   0     -11.501  -3.264   1.661  1.00  0.00           C  
HETATM   20  C   UNK A   0      -7.050  -6.228   0.985  1.00  0.00           C  
HETATM   21  C   UNK A   0      -5.225  -6.548  -0.691  1.00  0.00           C  
HETATM   22  C   UNK A   0      -4.374  -7.567  -1.404  1.00  0.00           C  
HETATM   23  C   UNK A   0      -2.621  -8.156  -2.992  1.00  0.00           C  
HETATM   24  C   UNK A   0      -1.661  -7.441  -3.944  1.00  0.00           C  
HETATM   25  C   UNK A   0       0.201  -5.932  -3.988  1.00  0.00           C  
HETATM   26  C   UNK A   0       1.125  -5.119  -3.079  1.00  0.00           C  
HETATM   27  C   UNK A   0       2.805  -5.345  -1.385  1.00  0.00           C  
HETATM   28  C   UNK A   0       3.570  -6.371  -0.589  1.00  0.00           C  
HETATM   29  C   UNK A   1       5.227  -6.974   1.092  1.00  0.00           C  
HETATM   30  C   UNK A   1       6.558  -6.375   1.551  1.00  0.00           C  
HETATM   31  C   UNK A   1       7.431  -6.076   0.330  1.00  0.00           C  
HETATM   32  C   UNK A   1       8.742  -5.487   0.782  1.00  0.00           C  
HETATM   33  C   UNK A   1      10.950  -4.570   0.311  1.00  0.00           C  
HETATM   34  C   UNK A   1      11.543  -3.721  -0.815  1.00  0.00           C  
HETATM   35  C   UNK A   1      10.631  -2.522  -1.084  1.00  0.00           C  
HETATM   36  C   UNK A   1      11.215  -1.686  -2.194  1.00  0.00           C  
HETATM   37  C   UNK A   1      11.146   0.242  -3.682  1.00  0.00           C  
HETATM   38  C   UNK A   1      10.234   1.441  -3.951  1.00  0.00           C  
HETATM   39  C   UNK A   1       9.391   3.450  -2.952  1.00  0.00           C  
HETATM   40  C   UNK A   1       9.449   4.284  -1.671  1.00  0.00           C  
HETATM   41  C   UNK A   0      10.938   5.585  -0.315  1.00  0.00           C  
HETATM   42  C   UNK A   0      12.365   6.060  -0.225  1.00  0.00           C  
HETATM   43  C   UNK A   1      14.142   7.294   0.895  1.00  0.00           C  
HETATM   44  C   UNK A   1      14.200   8.583   1.719  1.00  0.00           C  
HETATM   45  C   UNK A   1      13.450   9.694   0.982  1.00  0.00           C  
HETATM   46  C   UNK A   1      13.508  10.982   1.806  1.00  0.00           C  
HETATM   47  C   UNK A   1      12.758  12.093   1.069  1.00  0.00           C  
HETATM   48  C   UNK A   1      12.216  14.445   1.402  1.00  0.00           C  
HETATM   49  C   UNK A   1      12.273  15.714   2.214  1.00  0.00           C  
HETATM   50  C   UNK A   1      14.983   6.235   1.559  1.00  0.00           C  
HETATM   51  C   UNK A   1      11.907  -5.681   0.660  1.00  0.00           C  
HETATM   52  C   UNK A   1       4.418  -7.381   2.297  1.00  0.00           C  
HETATM   53  N   UNK A   0     -22.612  10.649  -1.900  1.00  0.00           N  
HETATM   54  N   UNK A   0     -23.603  10.947  -2.670  1.00  0.00           N  
HETATM   55  N   UNK A   0     -24.203   9.294  -1.523  1.00  0.00           N  
HETATM   56  N   UNK A   0      -9.053  -5.854   2.823  1.00  0.00           N  
HETATM   57  N   UNK A   0      -3.449  -7.165  -2.299  1.00  0.00           N  
HETATM   58  N   UNK A   1       4.484  -5.976   0.319  1.00  0.00           N  
HETATM   59  N   UNK A   1       9.675  -5.143  -0.128  1.00  0.00           N  
HETATM   60  N   UNK A   1      10.578  -0.571  -2.604  1.00  0.00           N  
HETATM   61  N   UNK A   1      12.754   6.833   0.808  1.00  0.00           N  
HETATM   62  N   UNK A   1      12.813  13.326   1.858  1.00  0.00           N  
HETATM   63  O   UNK A   0      -9.975  -5.291   0.886  1.00  0.00           O  
HETATM   64  O   UNK A   0      -9.159  -7.813   1.383  1.00  0.00           O  
HETATM   65  O   UNK A   0      -7.475  -7.670   3.190  1.00  0.00           O  
HETATM   66  O   UNK A   0      -4.521  -8.748  -1.173  1.00  0.00           O  
HETATM   67  O   UNK A   0      -0.745  -6.645  -3.189  1.00  0.00           O  
HETATM   68  O   UNK A   0       1.903  -6.006  -2.274  1.00  0.00           O  
HETATM   69  O   UNK A   0       3.363  -7.553  -0.767  1.00  0.00           O  
HETATM   70  O   UNK A   1       8.958  -5.322   1.964  1.00  0.00           O  
HETATM   71  O   UNK A   1      12.257  -2.016  -2.718  1.00  0.00           O  
HETATM   72  O   UNK A   1      10.217   2.293  -2.804  1.00  0.00           O  
HETATM   73  O   UNK A   1      10.774   4.787  -1.490  1.00  0.00           O  
HETATM   74  O   UNK A   0      13.164   5.746  -1.082  1.00  0.00           O  
HETATM   75  O   UNK A   1      11.632  14.431   0.339  1.00  0.00           O  
HETATM   76  O   UNK A   1      16.296   6.440   1.748  1.00  0.00           O  
HETATM   77  O   UNK A   1      14.475   5.200   1.922  1.00  0.00           O  
HETATM   78  O   UNK A   1      13.145  -5.390   1.089  1.00  0.00           O  
HETATM   79  O   UNK A   1      11.560  -6.833   0.552  1.00  0.00           O  
HETATM   80  O   UNK A   1       4.904  -8.291   3.155  1.00  0.00           O  
HETATM   81  O   UNK A   1       3.332  -6.888   2.489  1.00  0.00           O  
HETATM   82  S   UNK A   0      -8.189  -7.076   2.114  1.00  0.00           S  
HETATM   83  H   UNK A   0     -25.427  10.126  -2.888  1.00  0.00           H  
HETATM   84  H   UNK A   0     -15.471  -0.299   0.392  1.00  0.00           H  
HETATM   85  H   UNK A   0     -14.130   0.829   0.082  1.00  0.00           H  
HETATM   86  H   UNK A   0     -13.829  -2.138   0.798  1.00  0.00           H  
HETATM   87  H   UNK A   0     -12.488  -1.010   0.488  1.00  0.00           H  
HETATM   88  H   UNK A   0     -11.313  -4.390   3.488  1.00  0.00           H  
HETATM   89  H   UNK A   0      -9.972  -3.261   3.178  1.00  0.00           H  
HETATM   90  H   UNK A   0      -5.614  -7.834   0.992  1.00  0.00           H  
HETATM   91  H   UNK A   0      -6.826  -7.938  -0.307  1.00  0.00           H  
HETATM   92  H   UNK A   0     -17.112   1.540  -0.014  1.00  0.00           H  
HETATM   93  H   UNK A   0     -15.771   2.668  -0.324  1.00  0.00           H  
HETATM   94  H   UNK A   0     -17.879   2.967   1.864  1.00  0.00           H  
HETATM   95  H   UNK A   0     -16.538   4.095   1.554  1.00  0.00           H  
HETATM   96  H   UNK A   0     -17.413   4.508  -0.730  1.00  0.00           H  
HETATM   97  H   UNK A   0     -18.754   3.379  -0.420  1.00  0.00           H  
HETATM   98  H   UNK A   0     -19.521   4.806   1.458  1.00  0.00           H  
HETATM   99  H   UNK A   0     -18.180   5.935   1.148  1.00  0.00           H  
HETATM  100  H   UNK A   0     -19.055   6.347  -1.136  1.00  0.00           H  
HETATM  101  H   UNK A   0     -20.396   5.218  -0.826  1.00  0.00           H  
HETATM  102  H   UNK A   0     -21.163   6.645   1.052  1.00  0.00           H  
HETATM  103  H   UNK A   0     -19.822   7.774   0.742  1.00  0.00           H  
HETATM  104  H   UNK A   0     -20.696   8.186  -1.542  1.00  0.00           H  
HETATM  105  H   UNK A   0     -22.037   7.057  -1.232  1.00  0.00           H  
HETATM  106  H   UNK A   0     -22.804   8.484   0.646  1.00  0.00           H  
HETATM  107  H   UNK A   0     -21.463   9.613   0.336  1.00  0.00           H  
HETATM  108  H   UNK A   0     -16.238   1.128   2.270  1.00  0.00           H  
HETATM  109  H   UNK A   0     -14.897   2.256   1.960  1.00  0.00           H  
HETATM  110  H   UNK A   0     -13.255   0.417   2.366  1.00  0.00           H  
HETATM  111  H   UNK A   0     -14.596  -0.712   2.676  1.00  0.00           H  
HETATM  112  H   UNK A   0     -11.613  -1.422   2.772  1.00  0.00           H  
HETATM  113  H   UNK A   0     -12.954  -2.551   3.082  1.00  0.00           H  
HETATM  114  H   UNK A   0     -10.846  -2.849   0.894  1.00  0.00           H  
HETATM  115  H   UNK A   0     -12.188  -3.978   1.204  1.00  0.00           H  
HETATM  116  H   UNK A   0      -6.410  -5.554   1.553  1.00  0.00           H  
HETATM  117  H   UNK A   0      -7.622  -5.657   0.254  1.00  0.00           H  
HETATM  118  H   UNK A   0      -5.797  -5.977  -1.423  1.00  0.00           H  
HETATM  119  H   UNK A   0      -4.585  -5.873  -0.123  1.00  0.00           H  
HETATM  120  H   UNK A   0      -3.261  -8.830  -3.560  1.00  0.00           H  
HETATM  121  H   UNK A   0      -2.049  -8.727  -2.260  1.00  0.00           H  
HETATM  122  H   UNK A   0      -1.107  -8.180  -4.524  1.00  0.00           H  
HETATM  123  H   UNK A   0      -2.228  -6.800  -4.619  1.00  0.00           H  
HETATM  124  H   UNK A   0      -0.328  -5.260  -4.663  1.00  0.00           H  
HETATM  125  H   UNK A   0       0.793  -6.639  -4.569  1.00  0.00           H  
HETATM  126  H   UNK A   0       1.788  -4.506  -3.690  1.00  0.00           H  
HETATM  127  H   UNK A   0       0.527  -4.474  -2.435  1.00  0.00           H  
HETATM  128  H   UNK A   0       2.241  -4.705  -0.705  1.00  0.00           H  
HETATM  129  H   UNK A   0       3.503  -4.737  -1.960  1.00  0.00           H  
HETATM  130  H   UNK A   1       5.417  -7.848   0.470  1.00  0.00           H  
HETATM  131  H   UNK A   1       6.372  -5.451   2.099  1.00  0.00           H  
HETATM  132  H   UNK A   1       7.072  -7.085   2.199  1.00  0.00           H  
HETATM  133  H   UNK A   1       7.617  -7.000  -0.218  1.00  0.00           H  
HETATM  134  H   UNK A   1       6.918  -5.366  -0.319  1.00  0.00           H  
HETATM  135  H   UNK A   1      10.784  -3.945   1.189  1.00  0.00           H  
HETATM  136  H   UNK A   1      12.531  -3.367  -0.522  1.00  0.00           H  
HETATM  137  H   UNK A   1      11.626  -4.324  -1.719  1.00  0.00           H  
HETATM  138  H   UNK A   1       9.642  -2.876  -1.377  1.00  0.00           H  
HETATM  139  H   UNK A   1      10.548  -1.919  -0.180  1.00  0.00           H  
HETATM  140  H   UNK A   1      11.229  -0.361  -4.587  1.00  0.00           H  
HETATM  141  H   UNK A   1      12.134   0.595  -3.389  1.00  0.00           H  
HETATM  142  H   UNK A   1      10.608   1.996  -4.811  1.00  0.00           H  
HETATM  143  H   UNK A   1       9.223   1.089  -4.157  1.00  0.00           H  
HETATM  144  H   UNK A   1       8.362   3.140  -3.137  1.00  0.00           H  
HETATM  145  H   UNK A   1       9.748   4.047  -3.791  1.00  0.00           H  
HETATM  146  H   UNK A   1       8.751   5.118  -1.749  1.00  0.00           H  
HETATM  147  H   UNK A   1       9.177   3.662  -0.818  1.00  0.00           H  
HETATM  148  H   UNK A   0      10.697   4.989   0.565  1.00  0.00           H  
HETATM  149  H   UNK A   0      10.271   6.446  -0.365  1.00  0.00           H  
HETATM  150  H   UNK A   1      14.525   7.487  -0.107  1.00  0.00           H  
HETATM  151  H   UNK A   1      13.736   8.413   2.691  1.00  0.00           H  
HETATM  152  H   UNK A   1      15.240   8.877   1.859  1.00  0.00           H  
HETATM  153  H   UNK A   1      13.914   9.863   0.010  1.00  0.00           H  
HETATM  154  H   UNK A   1      12.410   9.399   0.842  1.00  0.00           H  
HETATM  155  H   UNK A   1      13.044  10.812   2.778  1.00  0.00           H  
HETATM  156  H   UNK A   1      14.548  11.276   1.946  1.00  0.00           H  
HETATM  157  H   UNK A   1      13.222  12.262   0.097  1.00  0.00           H  
HETATM  158  H   UNK A   1      11.718  11.798   0.929  1.00  0.00           H  
HETATM  159  H   UNK A   1      11.739  16.505   1.689  1.00  0.00           H  
HETATM  160  H   UNK A   1      11.809  15.544   3.185  1.00  0.00           H  
HETATM  161  H   UNK A   1      13.313  16.008   2.354  1.00  0.00           H  
HETATM  162  H   UNK A   0      -8.970  -5.691   3.776  1.00  0.00           H  
HETATM  163  H   UNK A   0      -3.331  -6.220  -2.483  1.00  0.00           H  
HETATM  164  H   UNK A   1       4.649  -5.030   0.461  1.00  0.00           H  
HETATM  165  H   UNK A   1       9.503  -5.275  -1.073  1.00  0.00           H  
HETATM  166  H   UNK A   1       9.744  -0.306  -2.184  1.00  0.00           H  
HETATM  167  H   UNK A   1      12.116   7.084   1.493  1.00  0.00           H  
HETATM  168  H   UNK A   1      13.280  13.337   2.708  1.00  0.00           H  
HETATM  169  H   UNK A   1      16.794   5.732   2.178  1.00  0.00           H  
HETATM  170  H   UNK A   1      13.723  -6.136   1.301  1.00  0.00           H  
HETATM  171  H   UNK A   1       4.349  -8.521   3.913  1.00  0.00           H  
CONECT    1   54   55   83                                            
CONECT    2   16   17   84   85                                       
CONECT    3   18   17   86   87                                       
CONECT    4    5   19   88   89                                       
CONECT    5   63   63   56    4                                       
CONECT    6   21   20   90   91                                       
CONECT    7   16    8   92   93                                       
CONECT    8    7    9   94   95                                       
CONECT    9    8   10   96   97                                       
CONECT   10    9   11   98   99                                       
CONECT   11   10   12  100  101                                       
CONECT   12   11   13  102  103                                       
CONECT   13   12   14  104  105                                       
CONECT   14   13   15  106  107                                       
CONECT   15   14   53   55   55                                       
CONECT   16    7    2  108  109                                       
CONECT   17    2    3  110  111                                       
CONECT   18   19    3  112  113                                       
CONECT   19    4   18  114  115                                       
CONECT   20    6   82  116  117                                       
CONECT   21   22    6  118  119                                       
CONECT   22   57   21   66   66                                       
CONECT   23   24   57  120  121                                       
CONECT   24   67   23  122  123                                       
CONECT   25   26   67  124  125                                       
CONECT   26   68   25  126  127                                       
CONECT   27   28   68  128  129                                       
CONECT   28   69   69   27   58                                       
CONECT   29   30   58   52  130                                       
CONECT   30   31   29  131  132                                       
CONECT   31   30   32  133  134                                       
CONECT   32   31   70   70   59                                       
CONECT   33   59   34   51  135                                       
CONECT   34   35   33  136  137                                       
CONECT   35   36   34  138  139                                       
CONECT   36   60   35   71   71                                       
CONECT   37   38   60  140  141                                       
CONECT   38   72   37  142  143                                       
CONECT   39   40   72  144  145                                       
CONECT   40   73   39  146  147                                       
CONECT   41   42   73  148  149                                       
CONECT   42   61   74   74   41                                       
CONECT   43   44   50   61  150                                       
CONECT   44   45   43  151  152                                       
CONECT   45   46   44  153  154                                       
CONECT   46   47   45  155  156                                       
CONECT   47   62   46  157  158                                       
CONECT   48   49   62   75   75                                       
CONECT   49   48  159  160  161                                       
CONECT   50   77   77   76   43                                       
CONECT   51   33   79   79   78                                       
CONECT   52   29   81   81   80                                       
CONECT   53   15   54   54                                            
CONECT   54   53   53    1                                            
CONECT   55   15   15    1                                            
CONECT   56   82    5  162                                            
CONECT   57   23   22  163                                            
CONECT   58   28   29  164                                            
CONECT   59   32   33  165                                            
CONECT   60   37   36  166                                            
CONECT   61   43   42  167                                            
CONECT   62   48   47  168                                            
CONECT   63    5    5                                                 
CONECT   64   82   82                                                 
CONECT   65   82   82                                                 
CONECT   66   22   22                                                 
CONECT   67   25   24                                                 
CONECT   68   27   26                                                 
CONECT   69   28   28                                                 
CONECT   70   32   32                                                 
CONECT   71   36   36                                                 
CONECT   72   38   39                                                 
CONECT   73   41   40                                                 
CONECT   74   42   42                                                 
CONECT   75   48   48                                                 
CONECT   76   50  169                                                 
CONECT   77   50   50                                                 
CONECT   78   51  170                                                 
CONECT   79   51   51                                                 
CONECT   80   52  171                                                 
CONECT   81   52   52                                                 
CONECT   82   20   65   65   64                                       
CONECT   82   64   56                                                 
CONECT   83    1                                                      
CONECT   84    2                                                      
CONECT   85    2                                                      
CONECT   86    3                                                      
CONECT   87    3                                                      
CONECT   88    4                                                      
CONECT   89    4                                                      
CONECT   90    6                                                      
CONECT   91    6                                                      
CONECT   92    7                                                      
CONECT   93    7                                                      
CONECT   94    8                                                      
CONECT   95    8                                                      
CONECT   96    9                                                      
CONECT   97    9                                                      
CONECT   98   10                                                      
CONECT   99   10                                                      
CONECT  100   11                                                      
CONECT  101   11                                                      
CONECT  102   12                                                      
CONECT  103   12                                                      
CONECT  104   13                                                      
CONECT  105   13                                                      
CONECT  106   14                                                      
CONECT  107   14                                                      
CONECT  108   16                                                      
CONECT  109   16                                                      
CONECT  110   17                                                      
CONECT  111   17                                                      
CONECT  112   18                                                      
CONECT  113   18                                                      
CONECT  114   19                                                      
CONECT  115   19                                                      
CONECT  116   20                                                      
CONECT  117   20                                                      
CONECT  118   21                                                      
CONECT  119   21                                                      
CONECT  120   23                                                      
CONECT  121   23                                                      
CONECT  122   24                                                      
CONECT  123   24                                                      
CONECT  124   25                                                      
CONECT  125   25                                                      
CONECT  126   26                                                      
CONECT  127   26                                                      
CONECT  128   27                                                      
CONECT  129   27                                                      
CONECT  130   29                                                      
CONECT  131   30                                                      
CONECT  132   30                                                      
CONECT  133   31                                                      
CONECT  134   31                                                      
CONECT  135   33                                                      
CONECT  136   34                                                      
CONECT  137   34                                                      
CONECT  138   35                                                      
CONECT  139   35                                                      
CONECT  140   37                                                      
CONECT  141   37                                                      
CONECT  142   38                                                      
CONECT  143   38                                                      
CONECT  144   39                                                      
CONECT  145   39                                                      
CONECT  146   40                                                      
CONECT  147   40                                                      
CONECT  148   41                                                      
CONECT  149   41                                                      
CONECT  150   43                                                      
CONECT  151   44                                                      
CONECT  152   44                                                      
CONECT  153   45                                                      
CONECT  154   45                                                      
CONECT  155   46                                                      
CONECT  156   46                                                      
CONECT  157   47                                                      
CONECT  158   47                                                      
CONECT  159   49                                                      
CONECT  160   49                                                      
CONECT  161   49                                                      
CONECT  162   56                                                      
CONECT  163   57                                                      
CONECT  164   58                                                      
CONECT  165   59                                                      
CONECT  166   60                                                      
CONECT  167   61                                                      
CONECT  168   62                                                      
CONECT  169   76                                                      
CONECT  170   78                                                      
CONECT  171   80                                                      
MASTER        0    0    0    0    0    0    0    0  171    0  171    0
END
