COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.901  -2.689  -0.045  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.297  -1.656   0.173  1.00  0.00           O  
HETATM    3  C   UNL     1      -6.343  -2.651  -0.334  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.986  -1.487  -0.358  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.463  -1.448  -0.654  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.191  -0.717   0.475  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.690  -0.677   0.175  1.00  0.00           C  
HETATM    8  C   UNL     1     -11.418   0.054   1.304  1.00  0.00           C  
HETATM    9  C   UNL     1     -12.918   0.094   1.003  1.00  0.00           C  
HETATM   10  C   UNL     1     -13.646   0.825   2.133  1.00  0.00           C  
HETATM   11  C   UNL     1     -15.145   0.865   1.832  1.00  0.00           C  
HETATM   12  C   UNL     1     -15.873   1.596   2.962  1.00  0.00           C  
HETATM   13  C   UNL     1     -17.372   1.636   2.661  1.00  0.00           C  
HETATM   14  C   UNL     1     -18.100   2.367   3.791  1.00  0.00           C  
HETATM   15  C   UNL     1     -17.655   3.830   3.821  1.00  0.00           C  
HETATM   16  C   UNL     1     -19.610   2.299   3.553  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.249  -3.868  -0.026  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.794  -3.898   0.147  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.126  -3.617  -1.174  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.798  -3.412  -2.163  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.368  -5.278   0.651  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.977  -5.528   2.006  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.747  -4.726   2.480  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.664  -6.641   2.688  1.00  0.00           O  
HETATM   25  N   UNL     1      -0.781  -3.593  -1.258  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.130  -3.420  -2.559  1.00  0.00           C  
HETATM   27  C   UNL     1       0.096  -1.928  -2.822  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.181  -1.211  -2.706  1.00  0.00           N1+
HETATM   29  C   UNL     1       1.192  -4.137  -2.557  1.00  0.00           C  
HETATM   30  O   UNL     1       2.138  -3.640  -3.132  1.00  0.00           O  
HETATM   31  N   UNL     1       1.348  -5.320  -1.931  1.00  0.00           N  
HETATM   32  C   UNL     1       0.200  -5.972  -1.304  1.00  0.00           C  
HETATM   33  C   UNL     1       0.138  -7.438  -1.738  1.00  0.00           C  
HETATM   34  C   UNL     1       1.487  -8.101  -1.452  1.00  0.00           C  
HETATM   35  C   UNL     1       2.581  -7.406  -2.261  1.00  0.00           C  
HETATM   36  C   UNL     1       2.675  -5.938  -1.864  1.00  0.00           C  
HETATM   37  C   UNL     1       3.217  -5.811  -0.463  1.00  0.00           C  
HETATM   38  O   UNL     1       2.538  -6.106   0.497  1.00  0.00           O  
HETATM   39  N   UNL     1       4.495  -5.357  -0.307  1.00  0.00           N  
HETATM   40  C   UNL     1       4.951  -5.188   1.091  1.00  0.00           C  
HETATM   41  C   UNL     1       6.245  -4.415   1.073  1.00  0.00           C  
HETATM   42  O   UNL     1       6.841  -4.250   0.030  1.00  0.00           O  
HETATM   43  N   UNL     1       6.740  -3.903   2.231  1.00  0.00           N  
HETATM   44  C   UNL     1       8.019  -3.171   2.142  1.00  0.00           C  
HETATM   45  C   UNL     1       7.998  -2.025   3.120  1.00  0.00           C  
HETATM   46  O   UNL     1       7.215  -2.017   4.046  1.00  0.00           O  
HETATM   47  C   UNL     1       8.202  -2.630   0.723  1.00  0.00           C  
HETATM   48  C   UNL     1       6.978  -1.847   0.322  1.00  0.00           C  
HETATM   49  O   UNL     1       6.100  -1.645   1.128  1.00  0.00           O  
HETATM   50  O   UNL     1       6.863  -1.375  -0.929  1.00  0.00           O  
HETATM   51  N   UNL     1       8.877  -0.996   2.944  1.00  0.00           N  
HETATM   52  C   UNL     1       8.815   0.079   3.957  1.00  0.00           C  
HETATM   53  C   UNL     1       8.837   1.410   3.251  1.00  0.00           C  
HETATM   54  O   UNL     1       9.470   1.551   2.226  1.00  0.00           O  
HETATM   55  N   UNL     1       8.139   2.452   3.778  1.00  0.00           N  
HETATM   56  C   UNL     1       8.211   3.735   3.051  1.00  0.00           C  
HETATM   57  C   UNL     1       6.855   4.392   3.093  1.00  0.00           C  
HETATM   58  O   UNL     1       6.068   4.122   3.975  1.00  0.00           O  
HETATM   59  C   UNL     1       8.612   3.478   1.597  1.00  0.00           C  
HETATM   60  C   UNL     1       7.667   2.477   0.984  1.00  0.00           C  
HETATM   61  O   UNL     1       6.705   2.094   1.607  1.00  0.00           O  
HETATM   62  O   UNL     1       7.894   2.009  -0.254  1.00  0.00           O  
HETATM   63  N   UNL     1       6.527   5.294   2.125  1.00  0.00           N  
HETATM   64  C   UNL     1       5.171   5.881   2.221  1.00  0.00           C  
HETATM   65  C   UNL     1       4.595   5.976   0.834  1.00  0.00           C  
HETATM   66  O   UNL     1       5.325   6.168  -0.115  1.00  0.00           O  
HETATM   67  N   UNL     1       3.255   5.846   0.647  1.00  0.00           N  
HETATM   68  C   UNL     1       2.789   5.916  -0.751  1.00  0.00           C  
HETATM   69  C   UNL     1       2.901   7.355  -1.257  1.00  0.00           C  
HETATM   70  O   UNL     1       1.967   8.180  -0.557  1.00  0.00           O  
HETATM   71  C   UNL     1       2.595   7.395  -2.755  1.00  0.00           C  
HETATM   72  C   UNL     1       1.353   5.470  -0.818  1.00  0.00           C  
HETATM   73  O   UNL     1       0.569   5.795   0.047  1.00  0.00           O  
HETATM   74  N   UNL     1       0.944   4.695  -1.865  1.00  0.00           N  
HETATM   75  C   UNL     1      -0.503   4.398  -1.920  1.00  0.00           C  
HETATM   76  C   UNL     1      -0.708   2.913  -2.079  1.00  0.00           C  
HETATM   77  O   UNL     1       0.026   2.126  -1.519  1.00  0.00           O  
HETATM   78  C   UNL     1      -1.129   5.129  -3.109  1.00  0.00           C  
HETATM   79  C   UNL     1      -0.352   4.790  -4.383  1.00  0.00           C  
HETATM   80  C   UNL     1      -1.075   6.639  -2.866  1.00  0.00           C  
HETATM   81  C   UNL     1       0.037   3.310  -4.364  1.00  0.00           C  
HETATM   82  N   UNL     1      -1.722   2.474  -2.855  1.00  0.00           N  
HETATM   83  C   UNL     1      -2.169   1.082  -2.977  1.00  0.00           C  
HETATM   84  C   UNL     1      -0.993   0.143  -3.008  1.00  0.00           C  
HETATM   85  O   UNL     1       0.107   0.555  -3.291  1.00  0.00           O  
HETATM   86  C   UNL     1      -2.969   0.964  -4.280  1.00  0.00           C  
HETATM   87  C   UNL     1      -3.289   2.404  -4.709  1.00  0.00           C  
HETATM   88  C   UNL     1      -2.551   3.317  -3.721  1.00  0.00           C  
HETATM   89  H   UNL     1      -6.879  -3.568  -0.527  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.449  -0.570  -0.165  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.631  -0.923  -1.594  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.845  -2.466  -0.734  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.023  -1.242   1.416  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.809   0.301   0.555  1.00  0.00           H  
HETATM   95  H   UNL     1     -10.858  -0.152  -0.766  1.00  0.00           H  
HETATM   96  H   UNL     1     -11.072  -1.695   0.095  1.00  0.00           H  
HETATM   97  H   UNL     1     -11.250  -0.471   2.245  1.00  0.00           H  
HETATM   98  H   UNL     1     -11.036   1.072   1.383  1.00  0.00           H  
HETATM   99  H   UNL     1     -13.086   0.619   0.063  1.00  0.00           H  
HETATM  100  H   UNL     1     -13.299  -0.924   0.924  1.00  0.00           H  
HETATM  101  H   UNL     1     -13.477   0.300   3.073  1.00  0.00           H  
HETATM  102  H   UNL     1     -13.264   1.843   2.212  1.00  0.00           H  
HETATM  103  H   UNL     1     -15.313   1.390   0.892  1.00  0.00           H  
HETATM  104  H   UNL     1     -15.527  -0.153   1.753  1.00  0.00           H  
HETATM  105  H   UNL     1     -15.705   1.071   3.902  1.00  0.00           H  
HETATM  106  H   UNL     1     -15.491   2.614   3.041  1.00  0.00           H  
HETATM  107  H   UNL     1     -17.541   2.161   1.721  1.00  0.00           H  
HETATM  108  H   UNL     1     -17.754   0.618   2.582  1.00  0.00           H  
HETATM  109  H   UNL     1     -17.860   1.894   4.743  1.00  0.00           H  
HETATM  110  H   UNL     1     -17.894   4.303   2.869  1.00  0.00           H  
HETATM  111  H   UNL     1     -18.173   4.351   4.626  1.00  0.00           H  
HETATM  112  H   UNL     1     -16.579   3.879   3.991  1.00  0.00           H  
HETATM  113  H   UNL     1     -19.927   1.256   3.532  1.00  0.00           H  
HETATM  114  H   UNL     1     -20.128   2.819   4.358  1.00  0.00           H  
HETATM  115  H   UNL     1     -19.850   2.771   2.601  1.00  0.00           H  
HETATM  116  H   UNL     1      -4.742  -4.697  -0.127  1.00  0.00           H  
HETATM  117  H   UNL     1      -2.499  -3.139   0.872  1.00  0.00           H  
HETATM  118  H   UNL     1      -2.711  -6.042  -0.048  1.00  0.00           H  
HETATM  119  H   UNL     1      -1.282  -5.318   0.728  1.00  0.00           H  
HETATM  120  H   UNL     1      -3.079  -6.757   3.553  1.00  0.00           H  
HETATM  121  H   UNL     1      -0.243  -3.691  -0.456  1.00  0.00           H  
HETATM  122  H   UNL     1      -0.767  -3.835  -3.341  1.00  0.00           H  
HETATM  123  H   UNL     1       0.802  -1.533  -2.091  1.00  0.00           H  
HETATM  124  H   UNL     1       0.499  -1.793  -3.826  1.00  0.00           H  
HETATM  125  H   UNL     1      -1.849  -1.609  -3.350  1.00  0.00           H  
HETATM  126  H   UNL     1      -1.531  -1.299  -1.764  1.00  0.00           H  
HETATM  127  H   UNL     1       0.300  -5.919  -0.221  1.00  0.00           H  
HETATM  128  H   UNL     1      -0.716  -5.465  -1.609  1.00  0.00           H  
HETATM  129  H   UNL     1      -0.646  -7.951  -1.179  1.00  0.00           H  
HETATM  130  H   UNL     1      -0.077  -7.494  -2.805  1.00  0.00           H  
HETATM  131  H   UNL     1       1.714  -8.018  -0.389  1.00  0.00           H  
HETATM  132  H   UNL     1       1.441  -9.153  -1.732  1.00  0.00           H  
HETATM  133  H   UNL     1       3.537  -7.894  -2.069  1.00  0.00           H  
HETATM  134  H   UNL     1       2.347  -7.479  -3.323  1.00  0.00           H  
HETATM  135  H   UNL     1       3.343  -5.416  -2.552  1.00  0.00           H  
HETATM  136  H   UNL     1       5.067  -5.156  -1.064  1.00  0.00           H  
HETATM  137  H   UNL     1       4.201  -4.637   1.659  1.00  0.00           H  
HETATM  138  H   UNL     1       5.113  -6.165   1.545  1.00  0.00           H  
HETATM  139  H   UNL     1       6.275  -4.014   3.075  1.00  0.00           H  
HETATM  140  H   UNL     1       8.842  -3.844   2.386  1.00  0.00           H  
HETATM  141  H   UNL     1       9.076  -1.980   0.692  1.00  0.00           H  
HETATM  142  H   UNL     1       8.343  -3.462   0.032  1.00  0.00           H  
HETATM  143  H   UNL     1       6.060  -0.878  -1.139  1.00  0.00           H  
HETATM  144  H   UNL     1       9.502  -0.972   2.203  1.00  0.00           H  
HETATM  145  H   UNL     1       7.894  -0.013   4.532  1.00  0.00           H  
HETATM  146  H   UNL     1       9.674   0.004   4.623  1.00  0.00           H  
HETATM  147  H   UNL     1       7.619   2.357   4.591  1.00  0.00           H  
HETATM  148  H   UNL     1       8.946   4.384   3.526  1.00  0.00           H  
HETATM  149  H   UNL     1       8.564   4.412   1.036  1.00  0.00           H  
HETATM  150  H   UNL     1       9.628   3.086   1.564  1.00  0.00           H  
HETATM  151  H   UNL     1       7.260   1.368  -0.604  1.00  0.00           H  
HETATM  152  H   UNL     1       7.143   5.536   1.416  1.00  0.00           H  
HETATM  153  H   UNL     1       4.538   5.244   2.839  1.00  0.00           H  
HETATM  154  H   UNL     1       5.233   6.876   2.662  1.00  0.00           H  
HETATM  155  H   UNL     1       2.642   5.716   1.388  1.00  0.00           H  
HETATM  156  H   UNL     1       3.403   5.263  -1.372  1.00  0.00           H  
HETATM  157  H   UNL     1       3.912   7.724  -1.083  1.00  0.00           H  
HETATM  158  H   UNL     1       2.055   8.145   0.405  1.00  0.00           H  
HETATM  159  H   UNL     1       1.558   7.102  -2.922  1.00  0.00           H  
HETATM  160  H   UNL     1       2.752   8.406  -3.131  1.00  0.00           H  
HETATM  161  H   UNL     1       3.256   6.706  -3.280  1.00  0.00           H  
HETATM  162  H   UNL     1       1.564   4.361  -2.532  1.00  0.00           H  
HETATM  163  H   UNL     1      -0.977   4.733  -0.998  1.00  0.00           H  
HETATM  164  H   UNL     1      -2.167   4.816  -3.223  1.00  0.00           H  
HETATM  165  H   UNL     1      -0.976   4.991  -5.254  1.00  0.00           H  
HETATM  166  H   UNL     1       0.549   5.401  -4.432  1.00  0.00           H  
HETATM  167  H   UNL     1      -0.050   6.934  -2.642  1.00  0.00           H  
HETATM  168  H   UNL     1      -1.418   7.163  -3.758  1.00  0.00           H  
HETATM  169  H   UNL     1      -1.719   6.894  -2.024  1.00  0.00           H  
HETATM  170  H   UNL     1       0.606   3.095  -3.460  1.00  0.00           H  
HETATM  171  H   UNL     1      -0.865   2.698  -4.380  1.00  0.00           H  
HETATM  172  H   UNL     1       0.645   3.083  -5.240  1.00  0.00           H  
HETATM  173  H   UNL     1      -2.816   0.838  -2.134  1.00  0.00           H  
HETATM  174  H   UNL     1      -2.372   0.467  -5.044  1.00  0.00           H  
HETATM  175  H   UNL     1      -3.892   0.410  -4.105  1.00  0.00           H  
HETATM  176  H   UNL     1      -2.930   2.582  -5.723  1.00  0.00           H  
HETATM  177  H   UNL     1      -4.363   2.582  -4.654  1.00  0.00           H  
HETATM  178  H   UNL     1      -3.273   3.866  -3.117  1.00  0.00           H  
HETATM  179  H   UNL     1      -1.920   4.017  -4.267  1.00  0.00           H  
CONECT    1    3    2    2   17                                       
CONECT    2    1    1                                                 
CONECT    3    4    4    1   89                                       
CONECT    4    5    3    3   90                                       
CONECT    5    6    4   91   92                                       
CONECT    6    5   93   94    7                                       
CONECT    7    6    8   95   96                                       
CONECT    8    7    9   97   98                                       
CONECT    9    8   10   99  100                                       
CONECT   10    9   11  101  102                                       
CONECT   11   10   12  103  104                                       
CONECT   12   11   13  105  106                                       
CONECT   13   12   14  107  108                                       
CONECT   14   13   15   16  109                                       
CONECT   15   14  110  111  112                                       
CONECT   16   14  113  114  115                                       
CONECT   17   18  116    1                                            
CONECT   18   17   19   21  117                                       
CONECT   19   18   20   20   25                                       
CONECT   20   19   19                                                 
CONECT   21   18   22  118  119                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22  120                                                 
CONECT   25   26  121   19                                            
CONECT   26   25   27   29  122                                       
CONECT   27   26   28  123  124                                       
CONECT   28   27  125  126   84                                       
CONECT   29   26   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   32   36   29                                            
CONECT   32   31   33  127  128                                       
CONECT   33   32   34  129  130                                       
CONECT   34   33   35  131  132                                       
CONECT   35   34   36  133  134                                       
CONECT   36   31   35   37  135                                       
CONECT   37   36   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   40  136   37                                            
CONECT   40   39   41  137  138                                       
CONECT   41   40   42   42   43                                       
CONECT   42   41   41                                                 
CONECT   43   44  139   41                                            
CONECT   44   43   45   47  140                                       
CONECT   45   44   46   46   51                                       
CONECT   46   45   45                                                 
CONECT   47   44   48  141  142                                       
CONECT   48   47   49   49   50                                       
CONECT   49   48   48                                                 
CONECT   50   48  143                                                 
CONECT   51   52  144   45                                            
CONECT   52   51   53  145  146                                       
CONECT   53   52   54   54   55                                       
CONECT   54   53   53                                                 
CONECT   55   56  147   53                                            
CONECT   56   55   57   59  148                                       
CONECT   57   56   58   58   63                                       
CONECT   58   57   57                                                 
CONECT   59   56   60  149  150                                       
CONECT   60   59   61   61   62                                       
CONECT   61   60   60                                                 
CONECT   62   60  151                                                 
CONECT   63   64  152   57                                            
CONECT   64   63   65  153  154                                       
CONECT   65   64   66   66   67                                       
CONECT   66   65   65                                                 
CONECT   67   68  155   65                                            
CONECT   68   67   69   72  156                                       
CONECT   69   68   70   71  157                                       
CONECT   70   69  158                                                 
CONECT   71   69  159  160  161                                       
CONECT   72   68   73   73   74                                       
CONECT   73   72   72                                                 
CONECT   74   75  162   72                                            
CONECT   75   74   76   78  163                                       
CONECT   76   75   77   77   82                                       
CONECT   77   76   76                                                 
CONECT   78   75   79   80  164                                       
CONECT   79   78   81  165  166                                       
CONECT   80   78  167  168  169                                       
CONECT   81   79  170  171  172                                       
CONECT   82   83   88   76                                            
CONECT   83   82   84   86  173                                       
CONECT   84   83   85   85   28                                       
CONECT   85   84   84                                                 
CONECT   86   83   87  174  175                                       
CONECT   87   86   88  176  177                                       
CONECT   88   82   87  178  179                                       
CONECT   89    3                                                      
CONECT   90    4                                                      
CONECT   91    5                                                      
CONECT   92    5                                                      
CONECT   93    6                                                      
CONECT   94    6                                                      
CONECT   95    7                                                      
CONECT   96    7                                                      
CONECT   97    8                                                      
CONECT   98    8                                                      
CONECT   99    9                                                      
CONECT  100    9                                                      
CONECT  101   10                                                      
CONECT  102   10                                                      
CONECT  103   11                                                      
CONECT  104   11                                                      
CONECT  105   12                                                      
CONECT  106   12                                                      
CONECT  107   13                                                      
CONECT  108   13                                                      
CONECT  109   14                                                      
CONECT  110   15                                                      
CONECT  111   15                                                      
CONECT  112   15                                                      
CONECT  113   16                                                      
CONECT  114   16                                                      
CONECT  115   16                                                      
CONECT  116   17                                                      
CONECT  117   18                                                      
CONECT  118   21                                                      
CONECT  119   21                                                      
CONECT  120   24                                                      
CONECT  121   25                                                      
CONECT  122   26                                                      
CONECT  123   27                                                      
CONECT  124   27                                                      
CONECT  125   28                                                      
CONECT  126   28                                                      
CONECT  127   32                                                      
CONECT  128   32                                                      
CONECT  129   33                                                      
CONECT  130   33                                                      
CONECT  131   34                                                      
CONECT  132   34                                                      
CONECT  133   35                                                      
CONECT  134   35                                                      
CONECT  135   36                                                      
CONECT  136   39                                                      
CONECT  137   40                                                      
CONECT  138   40                                                      
CONECT  139   43                                                      
CONECT  140   44                                                      
CONECT  141   47                                                      
CONECT  142   47                                                      
CONECT  143   50                                                      
CONECT  144   51                                                      
CONECT  145   52                                                      
CONECT  146   52                                                      
CONECT  147   55                                                      
CONECT  148   56                                                      
CONECT  149   59                                                      
CONECT  150   59                                                      
CONECT  151   62                                                      
CONECT  152   63                                                      
CONECT  153   64                                                      
CONECT  154   64                                                      
CONECT  155   67                                                      
CONECT  156   68                                                      
CONECT  157   69                                                      
CONECT  158   70                                                      
CONECT  159   71                                                      
CONECT  160   71                                                      
CONECT  161   71                                                      
CONECT  162   74                                                      
CONECT  163   75                                                      
CONECT  164   78                                                      
CONECT  165   79                                                      
CONECT  166   79                                                      
CONECT  167   80                                                      
CONECT  168   80                                                      
CONECT  169   80                                                      
CONECT  170   81                                                      
CONECT  171   81                                                      
CONECT  172   81                                                      
CONECT  173   83                                                      
CONECT  174   86                                                      
CONECT  175   86                                                      
CONECT  176   87                                                      
CONECT  177   87                                                      
CONECT  178   88                                                      
CONECT  179   88                                                      
MASTER        0    0    0    0    0    0    0    0  179    0  179    0
END
