COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.700   9.460   2.362  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.141   7.109   2.395  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.752   8.283   1.645  1.00  0.00           C  
HETATM    4  O   UNL     1      -5.277   8.188   0.538  1.00  0.00           O  
HETATM    5  N   UNL     1      -2.643   6.603   0.526  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.651   6.043   1.417  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.152   6.598   3.287  1.00  0.00           N  
HETATM    8  N   UNL     1       0.171   5.899  -3.388  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.222   6.253  -1.456  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.748   5.307  -2.547  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.128   4.146  -2.666  1.00  0.00           O  
HETATM   12  C   UNL     1       0.044   3.544   1.550  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.526   2.289   1.472  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.667   2.230   0.726  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.246   3.255   0.093  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.596   4.424   0.245  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.466   4.637   0.946  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.190   5.610  -0.437  1.00  0.00           C  
HETATM   19  N   UNL     1       1.233   3.696   2.305  1.00  0.00           N  
HETATM   20  C   UNL     1       0.060   1.100   2.150  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.387   0.942   0.557  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.350   0.111   1.461  1.00  0.00           O  
HETATM   23  N   UNL     1      -3.061   0.820  -0.625  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.851  -0.396  -0.934  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.747  -0.590  -2.440  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.701   0.352  -3.229  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.295  -0.221  -0.438  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.142  -1.455  -0.671  1.00  0.00           C  
HETATM   29  O   UNL     1      -5.904   0.920  -1.042  1.00  0.00           O  
HETATM   30  N   UNL     1      -6.304  -1.909  -1.933  1.00  0.00           N  
HETATM   31  C   UNL     1      -6.780  -2.185   0.266  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.073  -2.963  -1.775  1.00  0.00           C  
HETATM   33  N   UNL     1      -7.388  -3.169  -0.461  1.00  0.00           N  
HETATM   34  N   UNL     1      -3.695  -1.929  -2.798  1.00  0.00           N  
HETATM   35  C   UNL     1      -1.359  -3.675  -3.732  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.671  -5.029  -3.939  1.00  0.00           C  
HETATM   37  O   UNL     1       0.380  -5.112  -4.575  1.00  0.00           O  
HETATM   38  O   UNL     1      -2.765  -4.105  -5.656  1.00  0.00           O  
HETATM   39  C   UNL     1      -3.576  -2.372  -4.169  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.966  -2.464  -4.796  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.803  -3.704  -4.282  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.501  -2.555  -4.322  1.00  0.00           C  
HETATM   43  N   UNL     1      -1.323  -6.097  -3.348  1.00  0.00           N  
HETATM   44  C   UNL     1      -0.831  -7.454  -3.415  1.00  0.00           C  
HETATM   45  C   UNL     1      -1.348  -8.069  -4.712  1.00  0.00           C  
HETATM   46  O   UNL     1      -2.453  -7.809  -5.183  1.00  0.00           O  
HETATM   47  C   UNL     1      -1.232  -8.293  -2.193  1.00  0.00           C  
HETATM   48  O   UNL     1      -2.651  -8.419  -2.111  1.00  0.00           O  
HETATM   49  C   UNL     1      -0.743  -7.680  -0.886  1.00  0.00           C  
HETATM   50  N   UNL     1      -0.451  -8.978  -5.255  1.00  0.00           N  
HETATM   51  C   UNL     1      -0.716 -11.236  -6.224  1.00  0.00           C  
HETATM   52  C   UNL     1      -4.686 -13.381   0.940  1.00  0.00           C  
HETATM   53  O   UNL     1      -4.510 -13.453   2.179  1.00  0.00           O  
HETATM   54  C   UNL     1      -1.751 -11.690  -5.224  1.00  0.00           C  
HETATM   55  C   UNL     1      -0.734  -9.727  -6.456  1.00  0.00           C  
HETATM   56  S   UNL     1      -3.295 -12.113  -5.800  1.00  0.00           S  
HETATM   57  C   UNL     1      -3.749 -12.457  -4.182  1.00  0.00           C  
HETATM   58  C   UNL     1      -2.681 -12.217  -3.342  1.00  0.00           C  
HETATM   59  N   UNL     1      -1.523 -11.773  -3.949  1.00  0.00           N  
HETATM   60  C   UNL     1      -2.376 -12.586   0.494  1.00  0.00           C  
HETATM   61  C   UNL     1      -3.638 -12.939   0.064  1.00  0.00           C  
HETATM   62  N   UNL     1      -3.861 -12.844  -1.296  1.00  0.00           N  
HETATM   63  C   UNL     1      -2.761 -12.420  -1.884  1.00  0.00           C  
HETATM   64  S   UNL     1      -1.420 -12.117  -0.851  1.00  0.00           S  
HETATM   65  N   UNL     1      -5.927 -13.709   0.361  1.00  0.00           N  
HETATM   66  C   UNL     1      -7.083 -14.147   1.111  1.00  0.00           C  
HETATM   67  C   UNL     1      -7.968 -12.986   1.551  1.00  0.00           C  
HETATM   68  C   UNL     1      -8.483 -12.168   0.374  1.00  0.00           C  
HETATM   69  S   UNL     1      -9.481 -10.818   0.921  1.00  0.00           S  
HETATM   70  C   UNL     1      -8.433  -9.797   1.910  1.00  0.00           C  
HETATM   71  C   UNL     1      -9.871  -9.876  -0.521  1.00  0.00           C  
HETATM   72  O   UNL     1      -6.291   4.999   1.039  1.00  0.00           O  
HETATM   73  O   UNL     1      -8.123   2.682  -1.093  1.00  0.00           O  
HETATM   74  C   UNL     1      -5.975   2.735   2.797  1.00  0.00           C  
HETATM   75  O   UNL     1      -5.324   1.563   3.252  1.00  0.00           O  
HETATM   76  O   UNL     1      -5.967   3.085  -2.826  1.00  0.00           O  
HETATM   77  C   UNL     1      -6.282   2.575   1.312  1.00  0.00           C  
HETATM   78  O   UNL     1      -5.034   2.343   0.643  1.00  0.00           O  
HETATM   79  C   UNL     1      -5.169   2.109  -0.762  1.00  0.00           C  
HETATM   80  C   UNL     1      -5.816   3.323  -1.432  1.00  0.00           C  
HETATM   81  C   UNL     1      -7.159   3.689  -0.790  1.00  0.00           C  
HETATM   82  C   UNL     1      -7.005   3.804   0.730  1.00  0.00           C  
HETATM   83  C   UNL     1      -6.697   4.199  -4.840  1.00  0.00           C  
HETATM   84  C   UNL     1      -6.107   3.200  -5.836  1.00  0.00           C  
HETATM   85  C   UNL     1      -4.632   3.506  -6.104  1.00  0.00           C  
HETATM   86  C   UNL     1      -3.869   3.620  -4.778  1.00  0.00           C  
HETATM   87  O   UNL     1      -4.479   4.581  -3.912  1.00  0.00           O  
HETATM   88  C   UNL     1      -5.840   4.286  -3.578  1.00  0.00           C  
HETATM   89  O   UNL     1      -6.855   3.263  -7.048  1.00  0.00           O  
HETATM   90  O   UNL     1      -4.059   2.454  -6.876  1.00  0.00           O  
HETATM   91  O   UNL     1      -6.742   5.502  -5.425  1.00  0.00           O  
HETATM   92  N   UNL     1      -8.902   3.680  -7.893  1.00  0.00           N  
HETATM   93  C   UNL     1      -8.191   2.991  -6.942  1.00  0.00           C  
HETATM   94  O   UNL     1      -8.692   2.237  -6.115  1.00  0.00           O  
HETATM   95  O   UNL     1      -1.785   4.155  -3.740  1.00  0.00           O  
HETATM   96  C   UNL     1      -2.425   4.059  -4.999  1.00  0.00           C  
HETATM   97  H   UNL     1      -4.277   9.518   3.283  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.084  10.319   1.982  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.319   7.468   3.025  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.043   7.398   0.026  1.00  0.00           H  
HETATM  101  H   UNL     1      -3.210   5.197   1.955  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.480   5.648   0.820  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.830   7.233   3.671  1.00  0.00           H  
HETATM  104  H   UNL     1      -5.044   5.673   3.668  1.00  0.00           H  
HETATM  105  H   UNL     1       0.475   6.860  -3.269  1.00  0.00           H  
HETATM  106  H   UNL     1       0.577   5.385  -4.162  1.00  0.00           H  
HETATM  107  H   UNL     1      -1.690   7.120  -1.938  1.00  0.00           H  
HETATM  108  H   UNL     1      -0.327   6.611  -0.930  1.00  0.00           H  
HETATM  109  H   UNL     1      -3.108   5.319  -0.979  1.00  0.00           H  
HETATM  110  H   UNL     1       1.555   4.616   2.515  1.00  0.00           H  
HETATM  111  H   UNL     1       1.768   2.886   2.528  1.00  0.00           H  
HETATM  112  H   UNL     1       1.095   1.304   2.456  1.00  0.00           H  
HETATM  113  H   UNL     1      -0.516   0.823   3.043  1.00  0.00           H  
HETATM  114  H   UNL     1       0.061   0.222   1.490  1.00  0.00           H  
HETATM  115  H   UNL     1      -3.118   1.547  -1.307  1.00  0.00           H  
HETATM  116  H   UNL     1      -3.363  -1.230  -0.415  1.00  0.00           H  
HETATM  117  H   UNL     1      -5.289  -0.018   0.642  1.00  0.00           H  
HETATM  118  H   UNL     1      -6.874  -2.123   1.340  1.00  0.00           H  
HETATM  119  H   UNL     1      -7.433  -3.611  -2.561  1.00  0.00           H  
HETATM  120  H   UNL     1      -7.965  -3.915  -0.094  1.00  0.00           H  
HETATM  121  H   UNL     1      -3.699  -2.641  -2.075  1.00  0.00           H  
HETATM  122  H   UNL     1      -1.395  -3.534  -2.643  1.00  0.00           H  
HETATM  123  H   UNL     1      -2.055  -4.759  -5.726  1.00  0.00           H  
HETATM  124  H   UNL     1      -3.020  -1.588  -4.695  1.00  0.00           H  
HETATM  125  H   UNL     1      -5.609  -3.167  -4.255  1.00  0.00           H  
HETATM  126  H   UNL     1      -5.464  -1.488  -4.772  1.00  0.00           H  
HETATM  127  H   UNL     1      -4.904  -2.785  -5.840  1.00  0.00           H  
HETATM  128  H   UNL     1      -3.381  -4.476  -3.760  1.00  0.00           H  
HETATM  129  H   UNL     1      -0.561  -2.531  -5.415  1.00  0.00           H  
HETATM  130  H   UNL     1       0.552  -2.684  -4.050  1.00  0.00           H  
HETATM  131  H   UNL     1      -0.819  -1.577  -3.947  1.00  0.00           H  
HETATM  132  H   UNL     1      -2.172  -5.936  -2.816  1.00  0.00           H  
HETATM  133  H   UNL     1       0.262  -7.385  -3.478  1.00  0.00           H  
HETATM  134  H   UNL     1      -0.821  -9.306  -2.275  1.00  0.00           H  
HETATM  135  H   UNL     1      -3.018  -7.839  -2.796  1.00  0.00           H  
HETATM  136  H   UNL     1      -1.203  -6.703  -0.706  1.00  0.00           H  
HETATM  137  H   UNL     1       0.345  -7.565  -0.884  1.00  0.00           H  
HETATM  138  H   UNL     1      -1.026  -8.317  -0.041  1.00  0.00           H  
HETATM  139  H   UNL     1       0.440  -9.122  -4.789  1.00  0.00           H  
HETATM  140  H   UNL     1      -0.902 -11.751  -7.175  1.00  0.00           H  
HETATM  141  H   UNL     1       0.281 -11.556  -5.897  1.00  0.00           H  
HETATM  142  H   UNL     1       0.033  -9.453  -7.188  1.00  0.00           H  
HETATM  143  H   UNL     1      -1.704  -9.388  -6.836  1.00  0.00           H  
HETATM  144  H   UNL     1      -4.743 -12.804  -3.940  1.00  0.00           H  
HETATM  145  H   UNL     1      -1.977 -12.580   1.498  1.00  0.00           H  
HETATM  146  H   UNL     1      -6.048 -13.576  -0.637  1.00  0.00           H  
HETATM  147  H   UNL     1      -6.726 -14.718   1.973  1.00  0.00           H  
HETATM  148  H   UNL     1      -7.647 -14.823   0.461  1.00  0.00           H  
HETATM  149  H   UNL     1      -7.390 -12.335   2.218  1.00  0.00           H  
HETATM  150  H   UNL     1      -8.815 -13.363   2.138  1.00  0.00           H  
HETATM  151  H   UNL     1      -7.659 -11.740  -0.203  1.00  0.00           H  
HETATM  152  H   UNL     1      -9.108 -12.769  -0.293  1.00  0.00           H  
HETATM  153  H   UNL     1     -10.580 -11.224   1.584  1.00  0.00           H  
HETATM  154  H   UNL     1      -8.787  -9.837   2.941  1.00  0.00           H  
HETATM  155  H   UNL     1      -7.414 -10.180   1.840  1.00  0.00           H  
HETATM  156  H   UNL     1      -8.486  -8.777   1.527  1.00  0.00           H  
HETATM  157  H   UNL     1     -10.632  -9.140  -0.256  1.00  0.00           H  
HETATM  158  H   UNL     1      -8.962  -9.380  -0.864  1.00  0.00           H  
HETATM  159  H   UNL     1     -10.248 -10.557  -1.286  1.00  0.00           H  
HETATM  160  H   UNL     1      -6.952   5.646   1.332  1.00  0.00           H  
HETATM  161  H   UNL     1      -7.781   1.854  -0.723  1.00  0.00           H  
HETATM  162  H   UNL     1      -6.902   2.872   3.356  1.00  0.00           H  
HETATM  163  H   UNL     1      -5.322   3.594   2.953  1.00  0.00           H  
HETATM  164  H   UNL     1      -5.187   1.666   4.210  1.00  0.00           H  
HETATM  165  H   UNL     1      -6.908   1.683   1.196  1.00  0.00           H  
HETATM  166  H   UNL     1      -4.166   1.954  -1.172  1.00  0.00           H  
HETATM  167  H   UNL     1      -5.141   4.180  -1.317  1.00  0.00           H  
HETATM  168  H   UNL     1      -7.526   4.627  -1.223  1.00  0.00           H  
HETATM  169  H   UNL     1      -7.992   3.886   1.199  1.00  0.00           H  
HETATM  170  H   UNL     1      -7.727   3.915  -4.600  1.00  0.00           H  
HETATM  171  H   UNL     1      -6.210   2.177  -5.456  1.00  0.00           H  
HETATM  172  H   UNL     1      -4.543   4.429  -6.688  1.00  0.00           H  
HETATM  173  H   UNL     1      -3.835   2.647  -4.271  1.00  0.00           H  
HETATM  174  H   UNL     1      -6.189   5.109  -2.946  1.00  0.00           H  
HETATM  175  H   UNL     1      -3.994   2.785  -7.786  1.00  0.00           H  
HETATM  176  H   UNL     1      -7.114   6.090  -4.751  1.00  0.00           H  
HETATM  177  H   UNL     1      -8.409   4.285  -8.541  1.00  0.00           H  
HETATM  178  H   UNL     1      -9.911   3.597  -7.960  1.00  0.00           H  
HETATM  179  H   UNL     1      -1.147   4.886  -3.799  1.00  0.00           H  
HETATM  180  H   UNL     1      -2.403   5.033  -5.489  1.00  0.00           H  
HETATM  181  H   UNL     1      -1.903   3.326  -5.615  1.00  0.00           H  
CONECT    1    3   97   98                                            
CONECT    2    3    6    7   99                                       
CONECT    3    1    2    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    6   18  100                                            
CONECT    6    2    5  101  102                                       
CONECT    7    2  103  104                                            
CONECT    8   10  105  106                                            
CONECT    9   10   18  107  108                                       
CONECT   10    8    9   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   13   13   17   19                                       
CONECT   13   12   12   14   20                                       
CONECT   14   13   15   15   21                                       
CONECT   15   14   14   16                                            
CONECT   16   15   17   17   18                                       
CONECT   17   12   16   16                                            
CONECT   18    5    9   16  109                                       
CONECT   19   12  110  111                                            
CONECT   20   13  112  113  114                                       
CONECT   21   14   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24  115                                            
CONECT   24   23   25   27  116                                       
CONECT   25   24   26   26   34                                       
CONECT   26   25   25                                                 
CONECT   27   24   28   29  117                                       
CONECT   28   27   30   31   31                                       
CONECT   29   27   79                                                 
CONECT   30   28   32   32                                            
CONECT   31   28   28   33  118                                       
CONECT   32   30   30   33  119                                       
CONECT   33   31   32  120                                            
CONECT   34   25   39  121                                            
CONECT   35   36   41   42  122                                       
CONECT   36   35   37   37   43                                       
CONECT   37   36   36                                                 
CONECT   38   41  123                                                 
CONECT   39   34   40   41  124                                       
CONECT   40   39  125  126  127                                       
CONECT   41   35   38   39  128                                       
CONECT   42   35  129  130  131                                       
CONECT   43   36   44  132                                            
CONECT   44   43   45   47  133                                       
CONECT   45   44   46   46   50                                       
CONECT   46   45   45                                                 
CONECT   47   44   48   49  134                                       
CONECT   48   47  135                                                 
CONECT   49   47  136  137  138                                       
CONECT   50   45   55  139                                            
CONECT   51   54   55  140  141                                       
CONECT   52   53   53   61   65                                       
CONECT   53   52   52                                                 
CONECT   54   51   56   59   59                                       
CONECT   55   50   51  142  143                                       
CONECT   56   54   57                                                 
CONECT   57   56   58   58  144                                       
CONECT   58   57   57   59   63                                       
CONECT   59   54   54   58                                            
CONECT   60   61   61   64  145                                       
CONECT   61   52   60   60   62                                       
CONECT   62   61   63   63                                            
CONECT   63   58   62   62   64                                       
CONECT   64   60   63                                                 
CONECT   65   52   66  146                                            
CONECT   66   65   67  147  148                                       
CONECT   67   66   68  149  150                                       
CONECT   68   67   69  151  152                                       
CONECT   69   68   70   71  153                                       
CONECT   70   69  154  155  156                                       
CONECT   71   69  157  158  159                                       
CONECT   72   82  160                                                 
CONECT   73   81  161                                                 
CONECT   74   75   77  162  163                                       
CONECT   75   74  164                                                 
CONECT   76   80   88                                                 
CONECT   77   74   78   82  165                                       
CONECT   78   77   79                                                 
CONECT   79   29   78   80  166                                       
CONECT   80   76   79   81  167                                       
CONECT   81   73   80   82  168                                       
CONECT   82   72   77   81  169                                       
CONECT   83   84   88   91  170                                       
CONECT   84   83   85   89  171                                       
CONECT   85   84   86   90  172                                       
CONECT   86   85   87   96  173                                       
CONECT   87   86   88                                                 
CONECT   88   76   83   87  174                                       
CONECT   89   84   93                                                 
CONECT   90   85  175                                                 
CONECT   91   83  176                                                 
CONECT   92   93  177  178                                            
CONECT   93   89   92   94   94                                       
CONECT   94   93   93                                                 
CONECT   95   96  179                                                 
CONECT   96   86   95  180  181                                       
CONECT   97    1                                                      
CONECT   98    1                                                      
CONECT   99    2                                                      
CONECT  100    5                                                      
CONECT  101    6                                                      
CONECT  102    6                                                      
CONECT  103    7                                                      
CONECT  104    7                                                      
CONECT  105    8                                                      
CONECT  106    8                                                      
CONECT  107    9                                                      
CONECT  108    9                                                      
CONECT  109   18                                                      
CONECT  110   19                                                      
CONECT  111   19                                                      
CONECT  112   20                                                      
CONECT  113   20                                                      
CONECT  114   20                                                      
CONECT  115   23                                                      
CONECT  116   24                                                      
CONECT  117   27                                                      
CONECT  118   31                                                      
CONECT  119   32                                                      
CONECT  120   33                                                      
CONECT  121   34                                                      
CONECT  122   35                                                      
CONECT  123   38                                                      
CONECT  124   39                                                      
CONECT  125   40                                                      
CONECT  126   40                                                      
CONECT  127   40                                                      
CONECT  128   41                                                      
CONECT  129   42                                                      
CONECT  130   42                                                      
CONECT  131   42                                                      
CONECT  132   43                                                      
CONECT  133   44                                                      
CONECT  134   47                                                      
CONECT  135   48                                                      
CONECT  136   49                                                      
CONECT  137   49                                                      
CONECT  138   49                                                      
CONECT  139   50                                                      
CONECT  140   51                                                      
CONECT  141   51                                                      
CONECT  142   55                                                      
CONECT  143   55                                                      
CONECT  144   57                                                      
CONECT  145   60                                                      
CONECT  146   65                                                      
CONECT  147   66                                                      
CONECT  148   66                                                      
CONECT  149   67                                                      
CONECT  150   67                                                      
CONECT  151   68                                                      
CONECT  152   68                                                      
CONECT  153   69                                                      
CONECT  154   70                                                      
CONECT  155   70                                                      
CONECT  156   70                                                      
CONECT  157   71                                                      
CONECT  158   71                                                      
CONECT  159   71                                                      
CONECT  160   72                                                      
CONECT  161   73                                                      
CONECT  162   74                                                      
CONECT  163   74                                                      
CONECT  164   75                                                      
CONECT  165   77                                                      
CONECT  166   79                                                      
CONECT  167   80                                                      
CONECT  168   81                                                      
CONECT  169   82                                                      
CONECT  170   83                                                      
CONECT  171   84                                                      
CONECT  172   85                                                      
CONECT  173   86                                                      
CONECT  174   88                                                      
CONECT  175   90                                                      
CONECT  176   91                                                      
CONECT  177   92                                                      
CONECT  178   92                                                      
CONECT  179   95                                                      
CONECT  180   96                                                      
CONECT  181   96                                                      
MASTER        0    0    0    0    0    0    0    0  181    0  181    0
END
