COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CO   UNL     1      -4.480  -0.061   0.045  1.00  0.00          Co  
HETATM    2  N   UNL     1      -4.206   0.799   1.550  1.00  0.00           N1+
HETATM    3  N   UNL     1      -5.263   1.307  -0.835  1.00  0.00           N1+
HETATM    4  N   UNL     1      -5.186  -1.436  -0.790  1.00  0.00           N1+
HETATM    5  N   UNL     1      -2.766  -0.640  -0.025  1.00  0.00           N1+
HETATM    6  C   UNL     1      -3.056   0.177   2.160  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.459  -1.008   3.040  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.440   1.329   2.988  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.905   0.821   4.328  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.346   2.052   2.199  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.841   3.224   3.000  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.380   3.523   4.045  1.00  0.00           O  
HETATM   13  N   UNL     1       0.210   3.941   2.555  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.692   2.247   3.193  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.514   1.789   4.399  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.655   2.778   4.644  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.465   2.326   5.832  1.00  0.00           C  
HETATM   18  O   UNL     1      -6.159   1.313   6.425  1.00  0.00           O  
HETATM   19  N   UNL     1      -7.529   3.048   6.236  1.00  0.00           N  
HETATM   20  C   UNL     1      -4.448   2.034   1.913  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.081   2.896   0.993  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.499   4.267   1.456  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.333   2.533  -0.314  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.894   3.412  -1.414  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.144   4.152  -0.932  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.837   4.403  -1.906  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.640   3.647  -2.422  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.599   2.438  -2.325  1.00  0.00           O  
HETATM   29  N   UNL     1      -2.616   4.313  -2.990  1.00  0.00           N  
HETATM   30  C   UNL     1      -6.256   2.389  -2.530  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.694   2.596  -3.010  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.945   1.737  -4.251  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.318   2.033  -4.798  1.00  0.00           C  
HETATM   34  O   UNL     1     -10.026   2.851  -4.249  1.00  0.00           O  
HETATM   35  N   UNL     1      -9.759   1.389  -5.897  1.00  0.00           N  
HETATM   36  C   UNL     1      -6.109   1.061  -1.817  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.711  -0.174  -2.086  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.317  -1.357  -1.497  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.814  -2.775  -1.563  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.665  -3.120  -0.339  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.587  -3.030  -2.858  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.462  -3.556  -1.549  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.493  -4.674  -0.505  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.219  -5.513  -0.619  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.312  -6.697   0.309  1.00  0.00           C  
HETATM   46  O   UNL     1      -5.300  -6.853   0.994  1.00  0.00           O  
HETATM   47  N   UNL     1      -3.298  -7.581   0.377  1.00  0.00           N  
HETATM   48  C   UNL     1      -4.457  -2.480  -1.164  1.00  0.00           C  
HETATM   49  C   UNL     1      -3.053  -2.559  -1.274  1.00  0.00           C  
HETATM   50  C   UNL     1      -2.463  -3.755  -1.977  1.00  0.00           C  
HETATM   51  C   UNL     1      -2.195  -1.616  -0.781  1.00  0.00           C  
HETATM   52  C   UNL     1      -0.732  -1.422  -0.589  1.00  0.00           C  
HETATM   53  C   UNL     1      -0.150  -0.523  -1.681  1.00  0.00           C  
HETATM   54  C   UNL     1      -0.002  -2.766  -0.541  1.00  0.00           C  
HETATM   55  C   UNL     1       1.453  -2.541  -0.125  1.00  0.00           C  
HETATM   56  C   UNL     1       2.141  -3.872   0.035  1.00  0.00           C  
HETATM   57  O   UNL     1       1.528  -4.899  -0.165  1.00  0.00           O  
HETATM   58  N   UNL     1       3.438  -3.921   0.399  1.00  0.00           N  
HETATM   59  C   UNL     1      -0.694  -0.712   0.802  1.00  0.00           C  
HETATM   60  C   UNL     1       0.247   0.494   0.765  1.00  0.00           C  
HETATM   61  C   UNL     1      -0.459   1.663   0.128  1.00  0.00           C  
HETATM   62  O   UNL     1      -1.598   1.539  -0.269  1.00  0.00           O  
HETATM   63  N   UNL     1       0.175   2.845   0.001  1.00  0.00           N  
HETATM   64  C   UNL     1      -2.134  -0.266   1.015  1.00  0.00           C  
HETATM   65  C   UNL     1       4.107  -5.215   0.554  1.00  0.00           C  
HETATM   66  C   UNL     1       5.562  -4.990   0.970  1.00  0.00           C  
HETATM   67  C   UNL     1       6.261  -6.341   1.132  1.00  0.00           C  
HETATM   68  O   UNL     1       6.232  -4.225  -0.034  1.00  0.00           O  
HETATM   69  O   UNL     1       5.555  -2.161   1.352  1.00  0.00           O  
HETATM   70  O   UNL     1       7.808  -3.227   1.742  1.00  0.00           O1-
HETATM   71  P   UNL     1       6.747  -2.875   0.676  1.00  0.00           P  
HETATM   72  O   UNL     1       7.399  -1.902  -0.429  1.00  0.00           O  
HETATM   73  C   UNL     1       7.727  -0.681   0.238  1.00  0.00           C  
HETATM   74  C   UNL     1       9.215  -0.296   0.004  1.00  0.00           C  
HETATM   75  O   UNL     1       9.646  -0.699  -1.298  1.00  0.00           O  
HETATM   76  C   UNL     1       9.176   1.243   0.121  1.00  0.00           C  
HETATM   77  O   UNL     1       7.827   1.662  -0.115  1.00  0.00           O  
HETATM   78  C   UNL     1       7.004   0.524  -0.416  1.00  0.00           C  
HETATM   79  C   UNL     1       5.610   0.701   0.190  1.00  0.00           C  
HETATM   80  O   UNL     1       4.942   1.783  -0.461  1.00  0.00           O  
HETATM   81  N   UNL     1      10.064   1.840  -0.879  1.00  0.00           N  
HETATM   82  C   UNL     1      11.423   2.055  -0.743  1.00  0.00           C  
HETATM   83  C   UNL     1       9.706   2.286  -2.112  1.00  0.00           C  
HETATM   84  N   UNL     1      10.746   2.756  -2.738  1.00  0.00           N  
HETATM   85  C   UNL     1      11.844   2.644  -1.947  1.00  0.00           C  
HETATM   86  C   UNL     1      13.188   2.988  -2.113  1.00  0.00           C  
HETATM   87  C   UNL     1      14.089   2.737  -1.098  1.00  0.00           C  
HETATM   88  C   UNL     1      13.665   2.153   0.092  1.00  0.00           C  
HETATM   89  C   UNL     1      12.341   1.814   0.270  1.00  0.00           C  
HETATM   90  O   UNL     1      15.399   3.066  -1.260  1.00  0.00           O  
HETATM   91  C   UNL     1      16.070   2.695  -0.054  1.00  0.00           C  
HETATM   92  H   UNL     1      -3.957  -1.761   2.429  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.569  -1.441   3.497  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.138  -0.666   3.821  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.052   0.165   4.154  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.593   1.668   4.940  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.689   0.268   4.846  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.523   1.364   2.005  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.754   2.407   1.253  1.00  0.00           H  
HETATM  100  H   UNL     1       0.705   3.645   1.776  1.00  0.00           H  
HETATM  101  H   UNL     1       0.472   4.754   3.015  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.396   3.291   3.300  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.926   0.799   4.203  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.874   1.747   5.280  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.243   3.767   4.840  1.00  0.00           H  
HETATM  106  H   UNL     1      -6.296   2.819   3.763  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.774   3.858   5.762  1.00  0.00           H  
HETATM  108  H   UNL     1      -8.050   2.758   7.001  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.545   4.245   1.761  1.00  0.00           H  
HETATM  110  H   UNL     1      -4.881   4.569   2.302  1.00  0.00           H  
HETATM  111  H   UNL     1      -5.373   4.980   0.641  1.00  0.00           H  
HETATM  112  H   UNL     1      -6.865   4.876  -0.166  1.00  0.00           H  
HETATM  113  H   UNL     1      -7.605   4.671  -1.772  1.00  0.00           H  
HETATM  114  H   UNL     1      -7.851   3.436  -0.514  1.00  0.00           H  
HETATM  115  H   UNL     1      -5.255   5.012  -2.708  1.00  0.00           H  
HETATM  116  H   UNL     1      -4.532   5.048  -1.082  1.00  0.00           H  
HETATM  117  H   UNL     1      -2.649   5.279  -3.068  1.00  0.00           H  
HETATM  118  H   UNL     1      -1.845   3.826  -3.322  1.00  0.00           H  
HETATM  119  H   UNL     1      -5.557   2.461  -3.363  1.00  0.00           H  
HETATM  120  H   UNL     1      -8.387   2.304  -2.221  1.00  0.00           H  
HETATM  121  H   UNL     1      -7.847   3.646  -3.258  1.00  0.00           H  
HETATM  122  H   UNL     1      -7.195   1.965  -5.009  1.00  0.00           H  
HETATM  123  H   UNL     1      -7.881   0.682  -3.983  1.00  0.00           H  
HETATM  124  H   UNL     1      -9.193   0.735  -6.336  1.00  0.00           H  
HETATM  125  H   UNL     1     -10.643   1.580  -6.249  1.00  0.00           H  
HETATM  126  H   UNL     1      -7.527  -0.202  -2.792  1.00  0.00           H  
HETATM  127  H   UNL     1      -8.538  -2.469  -0.308  1.00  0.00           H  
HETATM  128  H   UNL     1      -7.988  -4.159  -0.402  1.00  0.00           H  
HETATM  129  H   UNL     1      -7.074  -2.978   0.566  1.00  0.00           H  
HETATM  130  H   UNL     1      -6.942  -2.825  -3.713  1.00  0.00           H  
HETATM  131  H   UNL     1      -7.912  -4.070  -2.889  1.00  0.00           H  
HETATM  132  H   UNL     1      -8.459  -2.376  -2.896  1.00  0.00           H  
HETATM  133  H   UNL     1      -5.238  -3.958  -2.537  1.00  0.00           H  
HETATM  134  H   UNL     1      -5.552  -4.238   0.493  1.00  0.00           H  
HETATM  135  H   UNL     1      -6.363  -5.308  -0.677  1.00  0.00           H  
HETATM  136  H   UNL     1      -4.106  -5.864  -1.645  1.00  0.00           H  
HETATM  137  H   UNL     1      -3.357  -4.904  -0.346  1.00  0.00           H  
HETATM  138  H   UNL     1      -2.507  -7.456  -0.171  1.00  0.00           H  
HETATM  139  H   UNL     1      -3.358  -8.343   0.975  1.00  0.00           H  
HETATM  140  H   UNL     1      -1.887  -4.347  -1.266  1.00  0.00           H  
HETATM  141  H   UNL     1      -3.266  -4.365  -2.391  1.00  0.00           H  
HETATM  142  H   UNL     1      -1.810  -3.418  -2.782  1.00  0.00           H  
HETATM  143  H   UNL     1      -0.085  -1.081  -2.615  1.00  0.00           H  
HETATM  144  H   UNL     1      -0.794   0.345  -1.820  1.00  0.00           H  
HETATM  145  H   UNL     1       0.846  -0.192  -1.386  1.00  0.00           H  
HETATM  146  H   UNL     1      -0.031  -3.230  -1.527  1.00  0.00           H  
HETATM  147  H   UNL     1      -0.490  -3.419   0.183  1.00  0.00           H  
HETATM  148  H   UNL     1       1.481  -2.002   0.822  1.00  0.00           H  
HETATM  149  H   UNL     1       1.964  -1.957  -0.891  1.00  0.00           H  
HETATM  150  H   UNL     1       3.928  -3.099   0.558  1.00  0.00           H  
HETATM  151  H   UNL     1      -0.389  -1.411   1.581  1.00  0.00           H  
HETATM  152  H   UNL     1       0.541   0.757   1.782  1.00  0.00           H  
HETATM  153  H   UNL     1       1.135   0.245   0.184  1.00  0.00           H  
HETATM  154  H   UNL     1       1.115   2.918   0.228  1.00  0.00           H  
HETATM  155  H   UNL     1      -0.309   3.623  -0.319  1.00  0.00           H  
HETATM  156  H   UNL     1       4.079  -5.754  -0.393  1.00  0.00           H  
HETATM  157  H   UNL     1       3.596  -5.798   1.320  1.00  0.00           H  
HETATM  158  H   UNL     1       5.590  -4.451   1.917  1.00  0.00           H  
HETATM  159  H   UNL     1       6.233  -6.880   0.185  1.00  0.00           H  
HETATM  160  H   UNL     1       7.298  -6.181   1.428  1.00  0.00           H  
HETATM  161  H   UNL     1       5.750  -6.925   1.898  1.00  0.00           H  
HETATM  162  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM  163  H   UNL     1       7.502  -0.745   1.302  1.00  0.00           H  
HETATM  164  H   UNL     1       9.854  -0.730   0.773  1.00  0.00           H  
HETATM  165  H   UNL     1      10.572  -0.433  -1.380  1.00  0.00           H  
HETATM  166  H   UNL     1       9.487   1.545   1.121  1.00  0.00           H  
HETATM  167  H   UNL     1       6.932   0.382  -1.494  1.00  0.00           H  
HETATM  168  H   UNL     1       5.036  -0.215   0.054  1.00  0.00           H  
HETATM  169  H   UNL     1       5.701   0.918   1.254  1.00  0.00           H  
HETATM  170  H   UNL     1       4.070   1.861  -0.051  1.00  0.00           H  
HETATM  171  H   UNL     1       8.704   2.254  -2.515  1.00  0.00           H  
HETATM  172  H   UNL     1      13.521   3.446  -3.033  1.00  0.00           H  
HETATM  173  H   UNL     1      14.378   1.964   0.881  1.00  0.00           H  
HETATM  174  H   UNL     1      12.018   1.361   1.195  1.00  0.00           H  
HETATM  175  H   UNL     1      15.958   1.623   0.109  1.00  0.00           H  
HETATM  176  H   UNL     1      17.129   2.942  -0.137  1.00  0.00           H  
HETATM  177  H   UNL     1      15.635   3.238   0.785  1.00  0.00           H  
CONECT    1    2    3    4    5                                       
CONECT    2    1    6   20   20                                       
CONECT    3    1   23   36   36                                       
CONECT    4    1   38   48   48                                       
CONECT    5    1   51   64   64                                       
CONECT    6    2    7    8   64                                       
CONECT    7    6   92   93   94                                       
CONECT    8    6    9   10   14                                       
CONECT    9    8   95   96   97                                       
CONECT   10    8   11   98   99                                       
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11  100  101                                            
CONECT   14    8   15   20  102                                       
CONECT   15   14   16  103  104                                       
CONECT   16   15   17  105  106                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17  107  108                                            
CONECT   20    2    2   14   21                                       
CONECT   21   20   22   23   23                                       
CONECT   22   21  109  110  111                                       
CONECT   23    3   21   21   24                                       
CONECT   24   23   25   26   30                                       
CONECT   25   24  112  113  114                                       
CONECT   26   24   27  115  116                                       
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27  117  118                                            
CONECT   30   24   31   36  119                                       
CONECT   31   30   32  120  121                                       
CONECT   32   31   33  122  123                                       
CONECT   33   32   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33  124  125                                            
CONECT   36    3    3   30   37                                       
CONECT   37   36   38   38  126                                       
CONECT   38    4   37   37   39                                       
CONECT   39   38   40   41   42                                       
CONECT   40   39  127  128  129                                       
CONECT   41   39  130  131  132                                       
CONECT   42   39   43   48  133                                       
CONECT   43   42   44  134  135                                       
CONECT   44   43   45  136  137                                       
CONECT   45   44   46   46   47                                       
CONECT   46   45   45                                                 
CONECT   47   45  138  139                                            
CONECT   48    4    4   42   49                                       
CONECT   49   48   50   51   51                                       
CONECT   50   49  140  141  142                                       
CONECT   51    5   49   49   52                                       
CONECT   52   51   53   54   59                                       
CONECT   53   52  143  144  145                                       
CONECT   54   52   55  146  147                                       
CONECT   55   54   56  148  149                                       
CONECT   56   55   57   57   58                                       
CONECT   57   56   56                                                 
CONECT   58   56   65  150                                            
CONECT   59   52   60   64  151                                       
CONECT   60   59   61  152  153                                       
CONECT   61   60   62   62   63                                       
CONECT   62   61   61                                                 
CONECT   63   61  154  155                                            
CONECT   64    5    5    6   59                                       
CONECT   65   58   66  156  157                                       
CONECT   66   65   67   68  158                                       
CONECT   67   66  159  160  161                                       
CONECT   68   66   71                                                 
CONECT   69   71   71                                                 
CONECT   70   71  162                                                 
CONECT   71   68   69   69   70                                       
CONECT   71   72                                                      
CONECT   72   71   73                                                 
CONECT   73   72   74   78  163                                       
CONECT   74   73   75   76  164                                       
CONECT   75   74  165                                                 
CONECT   76   74   77   81  166                                       
CONECT   77   76   78                                                 
CONECT   78   73   77   79  167                                       
CONECT   79   78   80  168  169                                       
CONECT   80   79  170                                                 
CONECT   81   76   82   83                                            
CONECT   82   81   85   85   89                                       
CONECT   83   81   84   84  171                                       
CONECT   84   83   83   85                                            
CONECT   85   82   82   84   86                                       
CONECT   86   85   87   87  172                                       
CONECT   87   86   86   88   90                                       
CONECT   88   87   89   89  173                                       
CONECT   89   82   88   88  174                                       
CONECT   90   87   91                                                 
CONECT   91   90  175  176  177                                       
CONECT   92    7                                                      
CONECT   93    7                                                      
CONECT   94    7                                                      
CONECT   95    9                                                      
CONECT   96    9                                                      
CONECT   97    9                                                      
CONECT   98   10                                                      
CONECT   99   10                                                      
CONECT  100   13                                                      
CONECT  101   13                                                      
CONECT  102   14                                                      
CONECT  103   15                                                      
CONECT  104   15                                                      
CONECT  105   16                                                      
CONECT  106   16                                                      
CONECT  107   19                                                      
CONECT  108   19                                                      
CONECT  109   22                                                      
CONECT  110   22                                                      
CONECT  111   22                                                      
CONECT  112   25                                                      
CONECT  113   25                                                      
CONECT  114   25                                                      
CONECT  115   26                                                      
CONECT  116   26                                                      
CONECT  117   29                                                      
CONECT  118   29                                                      
CONECT  119   30                                                      
CONECT  120   31                                                      
CONECT  121   31                                                      
CONECT  122   32                                                      
CONECT  123   32                                                      
CONECT  124   35                                                      
CONECT  125   35                                                      
CONECT  126   37                                                      
CONECT  127   40                                                      
CONECT  128   40                                                      
CONECT  129   40                                                      
CONECT  130   41                                                      
CONECT  131   41                                                      
CONECT  132   41                                                      
CONECT  133   42                                                      
CONECT  134   43                                                      
CONECT  135   43                                                      
CONECT  136   44                                                      
CONECT  137   44                                                      
CONECT  138   47                                                      
CONECT  139   47                                                      
CONECT  140   50                                                      
CONECT  141   50                                                      
CONECT  142   50                                                      
CONECT  143   53                                                      
CONECT  144   53                                                      
CONECT  145   53                                                      
CONECT  146   54                                                      
CONECT  147   54                                                      
CONECT  148   55                                                      
CONECT  149   55                                                      
CONECT  150   58                                                      
CONECT  151   59                                                      
CONECT  152   60                                                      
CONECT  153   60                                                      
CONECT  154   63                                                      
CONECT  155   63                                                      
CONECT  156   65                                                      
CONECT  157   65                                                      
CONECT  158   66                                                      
CONECT  159   67                                                      
CONECT  160   67                                                      
CONECT  161   67                                                      
CONECT  162   70                                                      
CONECT  163   73                                                      
CONECT  164   74                                                      
CONECT  165   75                                                      
CONECT  166   76                                                      
CONECT  167   78                                                      
CONECT  168   79                                                      
CONECT  169   79                                                      
CONECT  170   80                                                      
CONECT  171   83                                                      
CONECT  172   86                                                      
CONECT  173   88                                                      
CONECT  174   89                                                      
CONECT  175   91                                                      
CONECT  176   91                                                      
CONECT  177   91                                                      
MASTER        0    0    0    0    0    0    0    0  177    0  177    0
END
