COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      16.493   2.362  -0.628  1.00  0.00           C  
HETATM    2  N   UNL     1      18.137   1.278  -2.051  1.00  0.00           N  
HETATM    3  O   UNL     1      17.036   1.769   0.280  1.00  0.00           O  
HETATM    4  C   UNL     1      16.991   2.197  -2.040  1.00  0.00           C  
HETATM    5  C   UNL     1      15.871   1.625  -2.912  1.00  0.00           C  
HETATM    6  C   UNL     1      15.372   0.312  -2.306  1.00  0.00           C  
HETATM    7  C   UNL     1     -15.231   0.346   2.313  1.00  0.00           C  
HETATM    8  C   UNL     1      18.961   1.479  -3.251  1.00  0.00           C  
HETATM    9  C   UNL     1     -18.912   1.562   3.302  1.00  0.00           C  
HETATM   10  O   UNL     1     -17.014   1.750  -0.209  1.00  0.00           O  
HETATM   11  O   UNL     1      12.476   0.198  -0.271  1.00  0.00           O  
HETATM   12  O   UNL     1     -12.495   0.200   0.245  1.00  0.00           O  
HETATM   13  O   UNL     1      14.466   1.142   1.671  1.00  0.00           O  
HETATM   14  O   UNL     1     -14.480   1.144  -1.712  1.00  0.00           O  
HETATM   15  O   UNL     1      14.877   6.981   1.814  1.00  0.00           O  
HETATM   16  O   UNL     1     -14.927   6.966  -1.848  1.00  0.00           O  
HETATM   17  C   UNL     1      13.908  -4.794   0.889  1.00  0.00           C  
HETATM   18  C   UNL     1     -13.922  -4.796  -0.905  1.00  0.00           C  
HETATM   19  C   UNL     1      13.699  -4.462  -0.436  1.00  0.00           C  
HETATM   20  C   UNL     1      13.135  -4.213   1.877  1.00  0.00           C  
HETATM   21  C   UNL     1     -13.717  -4.460   0.421  1.00  0.00           C  
HETATM   22  C   UNL     1     -13.146  -4.217  -1.892  1.00  0.00           C  
HETATM   23  C   UNL     1      12.718  -3.548  -0.774  1.00  0.00           C  
HETATM   24  C   UNL     1      12.159  -3.294   1.540  1.00  0.00           C  
HETATM   25  C   UNL     1     -12.738  -3.545   0.758  1.00  0.00           C  
HETATM   26  C   UNL     1     -12.171  -3.297  -1.555  1.00  0.00           C  
HETATM   27  C   UNL     1       0.637  -1.982  -0.230  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.656  -1.982   0.259  1.00  0.00           C  
HETATM   29  C   UNL     1       0.638  -4.376  -0.228  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.657  -4.376   0.255  1.00  0.00           C  
HETATM   31  C   UNL     1       8.436  -2.275   0.545  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.452  -2.274  -0.551  1.00  0.00           C  
HETATM   33  C   UNL     1     -15.754   1.635   2.950  1.00  0.00           C  
HETATM   34  C   UNL     1       3.683  -3.178   0.150  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.700  -3.176  -0.135  1.00  0.00           C  
HETATM   36  C   UNL     1       5.112  -3.178  -0.397  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.131  -3.176   0.406  1.00  0.00           C  
HETATM   38  C   UNL     1      15.457   5.716   1.488  1.00  0.00           C  
HETATM   39  C   UNL     1     -15.493   5.700  -1.503  1.00  0.00           C  
HETATM   40  C   UNL     1       2.691  -3.179  -1.015  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.713  -3.179   1.034  1.00  0.00           C  
HETATM   42  C   UNL     1      13.579   5.135  -0.055  1.00  0.00           C  
HETATM   43  C   UNL     1     -13.588   5.144   0.016  1.00  0.00           C  
HETATM   44  C   UNL     1      12.510   4.112  -0.426  1.00  0.00           C  
HETATM   45  C   UNL     1     -12.517   4.123   0.386  1.00  0.00           C  
HETATM   46  C   UNL     1      10.489   3.023   0.572  1.00  0.00           C  
HETATM   47  C   UNL     1     -10.509   3.008  -0.588  1.00  0.00           C  
HETATM   48  C   UNL     1      10.330   1.971   1.692  1.00  0.00           C  
HETATM   49  C   UNL     1     -10.342   1.969  -1.717  1.00  0.00           C  
HETATM   50  C   UNL     1       6.104  -3.176   0.768  1.00  0.00           C  
HETATM   51  C   UNL     1      -6.118  -3.174  -0.763  1.00  0.00           C  
HETATM   52  N   UNL     1       9.190  -3.746  -0.840  1.00  0.00           N  
HETATM   53  N   UNL     1      -9.210  -3.740   0.837  1.00  0.00           N  
HETATM   54  N   UNL     1       7.963  -4.031  -0.584  1.00  0.00           N  
HETATM   55  N   UNL     1      -7.983  -4.029   0.580  1.00  0.00           N  
HETATM   56  N   UNL     1     -18.041   1.264   2.157  1.00  0.00           N  
HETATM   57  N   UNL     1      10.872  -0.877   0.822  1.00  0.00           N  
HETATM   58  N   UNL     1     -10.888  -0.877  -0.840  1.00  0.00           N  
HETATM   59  N   UNL     1      15.441   3.165  -0.373  1.00  0.00           N  
HETATM   60  N   UNL     1     -15.408   3.159   0.389  1.00  0.00           N  
HETATM   61  C   UNL     1     -16.447   2.350   0.679  1.00  0.00           C  
HETATM   62  C   UNL     1      11.714   0.165   0.672  1.00  0.00           C  
HETATM   63  C   UNL     1     -11.730   0.165  -0.695  1.00  0.00           C  
HETATM   64  C   UNL     1      13.998   2.212   1.328  1.00  0.00           C  
HETATM   65  C   UNL     1     -14.012   2.209  -1.354  1.00  0.00           C  
HETATM   66  C   UNL     1       1.283  -3.179  -0.476  1.00  0.00           C  
HETATM   67  C   UNL     1      -1.303  -3.179   0.501  1.00  0.00           C  
HETATM   68  C   UNL     1      11.946  -2.966   0.214  1.00  0.00           C  
HETATM   69  C   UNL     1     -11.963  -2.965  -0.229  1.00  0.00           C  
HETATM   70  C   UNL     1       9.533  -2.651  -0.152  1.00  0.00           C  
HETATM   71  C   UNL     1      -9.551  -2.648   0.144  1.00  0.00           C  
HETATM   72  C   UNL     1      14.342   4.703   1.197  1.00  0.00           C  
HETATM   73  C   UNL     1     -14.366   4.697  -1.221  1.00  0.00           C  
HETATM   74  C   UNL     1     -16.903   2.192   2.106  1.00  0.00           C  
HETATM   75  C   UNL     1      11.917   3.526   0.854  1.00  0.00           C  
HETATM   76  C   UNL     1     -11.927   3.523  -0.890  1.00  0.00           C  
HETATM   77  C   UNL     1      11.708   1.289   1.675  1.00  0.00           C  
HETATM   78  C   UNL     1     -11.722   1.285  -1.702  1.00  0.00           C  
HETATM   79  C   UNL     1      10.877  -1.970  -0.154  1.00  0.00           C  
HETATM   80  C   UNL     1     -10.896  -1.967   0.139  1.00  0.00           C  
HETATM   81  C   UNL     1      14.954   3.321   0.997  1.00  0.00           C  
HETATM   82  C   UNL     1     -14.966   3.313  -0.997  1.00  0.00           C  
HETATM   83  N   UNL     1      12.661   2.337   1.281  1.00  0.00           N  
HETATM   84  N   UNL     1     -12.676   2.337  -1.310  1.00  0.00           N  
HETATM   85  N   UNL     1       7.472  -3.176   0.244  1.00  0.00           N  
HETATM   86  N   UNL     1      -7.488  -3.174  -0.245  1.00  0.00           N  
HETATM   87  H   UNL     1      17.833   0.319  -1.978  1.00  0.00           H  
HETATM   88  H   UNL     1      17.298   3.166  -2.433  1.00  0.00           H  
HETATM   89  H   UNL     1      15.048   2.339  -2.961  1.00  0.00           H  
HETATM   90  H   UNL     1      16.251   1.440  -3.917  1.00  0.00           H  
HETATM   91  H   UNL     1      14.515  -0.049  -2.875  1.00  0.00           H  
HETATM   92  H   UNL     1      16.170  -0.430  -2.340  1.00  0.00           H  
HETATM   93  H   UNL     1      15.076   0.480  -1.270  1.00  0.00           H  
HETATM   94  H   UNL     1     -14.799   0.571   1.338  1.00  0.00           H  
HETATM   95  H   UNL     1     -14.469  -0.094   2.956  1.00  0.00           H  
HETATM   96  H   UNL     1     -16.054  -0.359   2.192  1.00  0.00           H  
HETATM   97  H   UNL     1      18.338   1.380  -4.140  1.00  0.00           H  
HETATM   98  H   UNL     1      19.403   2.475  -3.226  1.00  0.00           H  
HETATM   99  H   UNL     1      19.753   0.730  -3.277  1.00  0.00           H  
HETATM  100  H   UNL     1     -19.362   2.545   3.169  1.00  0.00           H  
HETATM  101  H   UNL     1     -19.697   0.808   3.366  1.00  0.00           H  
HETATM  102  H   UNL     1     -18.322   1.552   4.219  1.00  0.00           H  
HETATM  103  H   UNL     1      15.525   7.672   2.010  1.00  0.00           H  
HETATM  104  H   UNL     1     -15.583   7.651  -2.040  1.00  0.00           H  
HETATM  105  H   UNL     1      14.672  -5.510   1.153  1.00  0.00           H  
HETATM  106  H   UNL     1     -14.685  -5.513  -1.168  1.00  0.00           H  
HETATM  107  H   UNL     1      14.303  -4.916  -1.208  1.00  0.00           H  
HETATM  108  H   UNL     1      13.295  -4.475   2.913  1.00  0.00           H  
HETATM  109  H   UNL     1     -14.323  -4.912   1.192  1.00  0.00           H  
HETATM  110  H   UNL     1     -13.303  -4.483  -2.927  1.00  0.00           H  
HETATM  111  H   UNL     1      12.556  -3.289  -1.809  1.00  0.00           H  
HETATM  112  H   UNL     1      11.555  -2.839   2.312  1.00  0.00           H  
HETATM  113  H   UNL     1     -12.578  -3.282   1.794  1.00  0.00           H  
HETATM  114  H   UNL     1     -11.566  -2.845  -2.326  1.00  0.00           H  
HETATM  115  H   UNL     1       1.142  -1.047  -0.423  1.00  0.00           H  
HETATM  116  H   UNL     1      -1.160  -1.047   0.451  1.00  0.00           H  
HETATM  117  H   UNL     1       1.143  -5.312  -0.421  1.00  0.00           H  
HETATM  118  H   UNL     1      -1.164  -5.312   0.440  1.00  0.00           H  
HETATM  119  H   UNL     1       8.348  -1.429   1.210  1.00  0.00           H  
HETATM  120  H   UNL     1      -8.363  -1.430  -1.219  1.00  0.00           H  
HETATM  121  H   UNL     1     -16.112   1.424   3.957  1.00  0.00           H  
HETATM  122  H   UNL     1     -14.949   2.369   2.997  1.00  0.00           H  
HETATM  123  H   UNL     1       3.527  -4.067   0.761  1.00  0.00           H  
HETATM  124  H   UNL     1       3.527  -2.287   0.759  1.00  0.00           H  
HETATM  125  H   UNL     1      -3.542  -4.065  -0.746  1.00  0.00           H  
HETATM  126  H   UNL     1      -3.541  -2.285  -0.743  1.00  0.00           H  
HETATM  127  H   UNL     1       5.268  -4.068  -1.006  1.00  0.00           H  
HETATM  128  H   UNL     1       5.267  -2.288  -1.007  1.00  0.00           H  
HETATM  129  H   UNL     1      -5.290  -4.067   1.013  1.00  0.00           H  
HETATM  130  H   UNL     1      -5.288  -2.287   1.017  1.00  0.00           H  
HETATM  131  H   UNL     1      16.090   5.823   0.607  1.00  0.00           H  
HETATM  132  H   UNL     1      16.058   5.365   2.326  1.00  0.00           H  
HETATM  133  H   UNL     1     -16.113   5.810  -0.614  1.00  0.00           H  
HETATM  134  H   UNL     1     -16.103   5.338  -2.330  1.00  0.00           H  
HETATM  135  H   UNL     1       2.846  -2.289  -1.625  1.00  0.00           H  
HETATM  136  H   UNL     1       2.847  -4.069  -1.623  1.00  0.00           H  
HETATM  137  H   UNL     1      -2.870  -2.290   1.645  1.00  0.00           H  
HETATM  138  H   UNL     1      -2.871  -4.070   1.641  1.00  0.00           H  
HETATM  139  H   UNL     1      14.266   5.274  -0.889  1.00  0.00           H  
HETATM  140  H   UNL     1      13.091   6.098   0.143  1.00  0.00           H  
HETATM  141  H   UNL     1     -14.267   5.291   0.856  1.00  0.00           H  
HETATM  142  H   UNL     1     -13.104   6.105  -0.197  1.00  0.00           H  
HETATM  143  H   UNL     1      11.717   4.604  -0.996  1.00  0.00           H  
HETATM  144  H   UNL     1      12.941   3.317  -1.031  1.00  0.00           H  
HETATM  145  H   UNL     1     -11.721   4.619   0.948  1.00  0.00           H  
HETATM  146  H   UNL     1     -12.942   3.331   0.999  1.00  0.00           H  
HETATM  147  H   UNL     1      10.415   2.569  -0.416  1.00  0.00           H  
HETATM  148  H   UNL     1       9.760   3.828   0.682  1.00  0.00           H  
HETATM  149  H   UNL     1     -10.458   2.543   0.397  1.00  0.00           H  
HETATM  150  H   UNL     1      -9.772   3.808  -0.674  1.00  0.00           H  
HETATM  151  H   UNL     1      10.147   2.450   2.654  1.00  0.00           H  
HETATM  152  H   UNL     1       9.541   1.260   1.452  1.00  0.00           H  
HETATM  153  H   UNL     1     -10.155   2.453  -2.673  1.00  0.00           H  
HETATM  154  H   UNL     1      -9.552   1.256  -1.479  1.00  0.00           H  
HETATM  155  H   UNL     1       5.948  -2.286   1.377  1.00  0.00           H  
HETATM  156  H   UNL     1       5.948  -4.066   1.379  1.00  0.00           H  
HETATM  157  H   UNL     1      -5.959  -2.283  -1.371  1.00  0.00           H  
HETATM  158  H   UNL     1      -5.960  -4.063  -1.374  1.00  0.00           H  
HETATM  159  H   UNL     1     -17.726   0.306   2.181  1.00  0.00           H  
HETATM  160  H   UNL     1      10.263  -0.903   1.576  1.00  0.00           H  
HETATM  161  H   UNL     1     -10.276  -0.906  -1.592  1.00  0.00           H  
HETATM  162  H   UNL     1      15.006   3.640  -1.099  1.00  0.00           H  
HETATM  163  H   UNL     1     -14.955   3.639   1.099  1.00  0.00           H  
HETATM  164  H   UNL     1      13.663   4.681   2.054  1.00  0.00           H  
HETATM  165  H   UNL     1     -13.700   4.671  -2.087  1.00  0.00           H  
HETATM  166  H   UNL     1     -17.206   3.161   2.500  1.00  0.00           H  
HETATM  167  H   UNL     1      11.901   4.277   1.646  1.00  0.00           H  
HETATM  168  H   UNL     1     -11.897   4.268  -1.688  1.00  0.00           H  
HETATM  169  H   UNL     1      11.954   0.912   2.666  1.00  0.00           H  
HETATM  170  H   UNL     1     -11.965   0.906  -2.693  1.00  0.00           H  
HETATM  171  H   UNL     1      11.081  -1.569  -1.147  1.00  0.00           H  
HETATM  172  H   UNL     1     -11.102  -1.564   1.130  1.00  0.00           H  
HETATM  173  H   UNL     1      15.819   3.231   1.672  1.00  0.00           H  
HETATM  174  H   UNL     1     -15.852   3.217  -1.643  1.00  0.00           H  
CONECT    1    3    3    4   59                                       
CONECT    2    8    4   87                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   88                                       
CONECT    5    4    6   89   90                                       
CONECT    6    5   91   92   93                                       
CONECT    7   33   94   95   96                                       
CONECT    8    2   97   98   99                                       
CONECT    9   56  100  101  102                                       
CONECT   10   61   61                                                 
CONECT   11   62   62                                                 
CONECT   12   63   63                                                 
CONECT   13   64   64                                                 
CONECT   14   65   65                                                 
CONECT   15   38  103                                                 
CONECT   16   39  104                                                 
CONECT   17   19   19   20  105                                       
CONECT   18   21   21   22  106                                       
CONECT   19   17   17   23  107                                       
CONECT   20   17   24   24  108                                       
CONECT   21   18   18   25  109                                       
CONECT   22   18   26   26  110                                       
CONECT   23   19   68   68  111                                       
CONECT   24   20   20   68  112                                       
CONECT   25   21   69   69  113                                       
CONECT   26   22   22   69  114                                       
CONECT   27   28   28   66  115                                       
CONECT   28   27   27   67  116                                       
CONECT   29   30   66   66  117                                       
CONECT   30   29   67   67  118                                       
CONECT   31   70   70   85  119                                       
CONECT   32   86   71   71  120                                       
CONECT   33    7   74  121  122                                       
CONECT   34   40   36  123  124                                       
CONECT   35   41   37  125  126                                       
CONECT   36   34   50  127  128                                       
CONECT   37   35   51  129  130                                       
CONECT   38   15   72  131  132                                       
CONECT   39   16   73  133  134                                       
CONECT   40   34   66  135  136                                       
CONECT   41   35   67  137  138                                       
CONECT   42   72   44  139  140                                       
CONECT   43   45   73  141  142                                       
CONECT   44   42   75  143  144                                       
CONECT   45   43   76  145  146                                       
CONECT   46   75   48  147  148                                       
CONECT   47   49   76  149  150                                       
CONECT   48   46   77  151  152                                       
CONECT   49   47   78  153  154                                       
CONECT   50   36   85  155  156                                       
CONECT   51   37   86  157  158                                       
CONECT   52   54   54   70                                            
CONECT   53   55   55   71                                            
CONECT   54   52   52   85                                            
CONECT   55   53   53   86                                            
CONECT   56    9   74  159                                            
CONECT   57   62   79  160                                            
CONECT   58   63   80  161                                            
CONECT   59    1   81  162                                            
CONECT   60   82   61  163                                            
CONECT   61   10   10   60   74                                       
CONECT   62   11   11   57   77                                       
CONECT   63   12   12   58   78                                       
CONECT   64   13   13   81   83                                       
CONECT   65   14   14   84   82                                       
CONECT   66   27   29   29   40                                       
CONECT   67   28   30   30   41                                       
CONECT   68   23   23   24   79                                       
CONECT   69   25   25   26   80                                       
CONECT   70   31   31   52   79                                       
CONECT   71   32   32   53   80                                       
CONECT   72   38   42   81  164                                       
CONECT   73   39   43   82  165                                       
CONECT   74   33   56   61  166                                       
CONECT   75   44   46   83  167                                       
CONECT   76   45   47   84  168                                       
CONECT   77   48   62   83  169                                       
CONECT   78   49   63   84  170                                       
CONECT   79   57   68   70  171                                       
CONECT   80   58   69   71  172                                       
CONECT   81   59   64   72  173                                       
CONECT   82   60   65   73  174                                       
CONECT   83   64   75   77                                            
CONECT   84   65   76   78                                            
CONECT   85   31   50   54                                            
CONECT   86   32   51   55                                            
CONECT   87    2                                                      
CONECT   88    4                                                      
CONECT   89    5                                                      
CONECT   90    5                                                      
CONECT   91    6                                                      
CONECT   92    6                                                      
CONECT   93    6                                                      
CONECT   94    7                                                      
CONECT   95    7                                                      
CONECT   96    7                                                      
CONECT   97    8                                                      
CONECT   98    8                                                      
CONECT   99    8                                                      
CONECT  100    9                                                      
CONECT  101    9                                                      
CONECT  102    9                                                      
CONECT  103   15                                                      
CONECT  104   16                                                      
CONECT  105   17                                                      
CONECT  106   18                                                      
CONECT  107   19                                                      
CONECT  108   20                                                      
CONECT  109   21                                                      
CONECT  110   22                                                      
CONECT  111   23                                                      
CONECT  112   24                                                      
CONECT  113   25                                                      
CONECT  114   26                                                      
CONECT  115   27                                                      
CONECT  116   28                                                      
CONECT  117   29                                                      
CONECT  118   30                                                      
CONECT  119   31                                                      
CONECT  120   32                                                      
CONECT  121   33                                                      
CONECT  122   33                                                      
CONECT  123   34                                                      
CONECT  124   34                                                      
CONECT  125   35                                                      
CONECT  126   35                                                      
CONECT  127   36                                                      
CONECT  128   36                                                      
CONECT  129   37                                                      
CONECT  130   37                                                      
CONECT  131   38                                                      
CONECT  132   38                                                      
CONECT  133   39                                                      
CONECT  134   39                                                      
CONECT  135   40                                                      
CONECT  136   40                                                      
CONECT  137   41                                                      
CONECT  138   41                                                      
CONECT  139   42                                                      
CONECT  140   42                                                      
CONECT  141   43                                                      
CONECT  142   43                                                      
CONECT  143   44                                                      
CONECT  144   44                                                      
CONECT  145   45                                                      
CONECT  146   45                                                      
CONECT  147   46                                                      
CONECT  148   46                                                      
CONECT  149   47                                                      
CONECT  150   47                                                      
CONECT  151   48                                                      
CONECT  152   48                                                      
CONECT  153   49                                                      
CONECT  154   49                                                      
CONECT  155   50                                                      
CONECT  156   50                                                      
CONECT  157   51                                                      
CONECT  158   51                                                      
CONECT  159   56                                                      
CONECT  160   57                                                      
CONECT  161   58                                                      
CONECT  162   59                                                      
CONECT  163   60                                                      
CONECT  164   72                                                      
CONECT  165   73                                                      
CONECT  166   74                                                      
CONECT  167   75                                                      
CONECT  168   76                                                      
CONECT  169   77                                                      
CONECT  170   78                                                      
CONECT  171   79                                                      
CONECT  172   80                                                      
CONECT  173   81                                                      
CONECT  174   82                                                      
MASTER        0    0    0    0    0    0    0    0  174    0  174    0
END
