COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.934   5.411   0.246  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.455   5.924  -1.100  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.838   5.322  -1.365  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.771   5.683  -0.205  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.161   5.180   1.106  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.579   6.055   0.547  1.00  0.00           C  
HETATM    7  C   UNL     1     -16.198 -14.825  -1.860  1.00  0.00           C  
HETATM    8  C   UNL     1     -16.186 -13.298  -1.942  1.00  0.00           C  
HETATM    9  C   UNL     1     -14.869 -12.767  -1.372  1.00  0.00           C  
HETATM   10  C   UNL     1     -14.857 -11.239  -1.455  1.00  0.00           C  
HETATM   11  C   UNL     1     -13.540 -10.708  -0.885  1.00  0.00           C  
HETATM   12  C   UNL     1     -13.528  -9.181  -0.967  1.00  0.00           C  
HETATM   13  C   UNL     1     -12.211  -8.650  -0.397  1.00  0.00           C  
HETATM   14  C   UNL     1     -12.198  -7.122  -0.479  1.00  0.00           C  
HETATM   15  C   UNL     1     -10.882  -6.591   0.091  1.00  0.00           C  
HETATM   16  C   UNL     1     -10.869  -5.063   0.009  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.552  -4.532   0.579  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.540  -3.005   0.496  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.223  -2.474   1.066  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.211  -0.946   0.984  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.894  -0.415   1.554  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.810  -0.847   0.730  1.00  0.00           O  
HETATM   23  C   UNL     1      -6.932   1.114   1.587  1.00  0.00           C  
HETATM   24  O   UNL     1      -8.017   1.546   2.412  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.615   1.645   2.157  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.705   3.164   2.318  1.00  0.00           C  
HETATM   27  O   UNL     1      -6.051   3.756   1.065  1.00  0.00           O  
HETATM   28  O   UNL     1      -8.045   5.066  -0.407  1.00  0.00           O  
HETATM   29  O   UNL     1      -6.364   5.852  -2.584  1.00  0.00           O  
HETATM   30  O   UNL     1      -4.863   5.754   1.276  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.039   5.492   1.744  1.00  0.00           O  
HETATM   32  O   UNL     1      -4.553   7.349  -1.062  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.361   7.978  -2.331  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.485   9.472  -2.175  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.367  10.232  -1.888  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.481  11.602  -1.744  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.713  12.212  -1.888  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.831  11.451  -2.176  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.716  10.082  -2.325  1.00  0.00           C  
HETATM   40  N   UNL     1      -4.519   1.314   1.243  1.00  0.00           N  
HETATM   41  C   UNL     1      -3.260   1.209   1.711  1.00  0.00           C  
HETATM   42  O   UNL     1      -3.034   1.388   2.889  1.00  0.00           O  
HETATM   43  C   UNL     1      -2.132   0.869   0.771  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.817   0.812   1.551  1.00  0.00           C  
HETATM   45  C   UNL     1       0.328   0.468   0.597  1.00  0.00           C  
HETATM   46  C   UNL     1       1.643   0.410   1.377  1.00  0.00           C  
HETATM   47  C   UNL     1       2.787   0.065   0.422  1.00  0.00           C  
HETATM   48  C   UNL     1       4.102   0.008   1.202  1.00  0.00           C  
HETATM   49  C   UNL     1       5.247  -0.337   0.248  1.00  0.00           C  
HETATM   50  C   UNL     1       6.562  -0.394   1.028  1.00  0.00           C  
HETATM   51  C   UNL     1       7.707  -0.739   0.073  1.00  0.00           C  
HETATM   52  C   UNL     1       9.022  -0.796   0.853  1.00  0.00           C  
HETATM   53  C   UNL     1      10.167  -1.141  -0.101  1.00  0.00           C  
HETATM   54  C   UNL     1      11.481  -1.198   0.679  1.00  0.00           C  
HETATM   55  C   UNL     1      12.626  -1.543  -0.276  1.00  0.00           C  
HETATM   56  C   UNL     1      13.941  -1.600   0.504  1.00  0.00           C  
HETATM   57  C   UNL     1      15.086  -1.945  -0.450  1.00  0.00           C  
HETATM   58  C   UNL     1      16.401  -2.002   0.330  1.00  0.00           C  
HETATM   59  C   UNL     1      17.546  -2.347  -0.625  1.00  0.00           C  
HETATM   60  C   UNL     1      18.861  -2.404   0.155  1.00  0.00           C  
HETATM   61  C   UNL     1      20.005  -2.749  -0.799  1.00  0.00           C  
HETATM   62  C   UNL     1      21.320  -2.806  -0.019  1.00  0.00           C  
HETATM   63  C   UNL     1      22.465  -3.151  -0.974  1.00  0.00           C  
HETATM   64  C   UNL     1      23.780  -3.208  -0.193  1.00  0.00           C  
HETATM   65  C   UNL     1      24.925  -3.553  -1.148  1.00  0.00           C  
HETATM   66  C   UNL     1      26.240  -3.611  -0.368  1.00  0.00           C  
HETATM   67  C   UNL     1      27.385  -3.955  -1.322  1.00  0.00           C  
HETATM   68  H   UNL     1      -3.821   4.328   0.204  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.769   5.626  -1.893  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.756   4.238  -1.443  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.893   6.765  -0.159  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.800   5.472   1.940  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.896   5.868  -0.282  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.707   7.129   0.676  1.00  0.00           H  
HETATM   75  H   UNL     1     -15.365 -15.227  -2.436  1.00  0.00           H  
HETATM   76  H   UNL     1     -16.102 -15.134  -0.819  1.00  0.00           H  
HETATM   77  H   UNL     1     -17.136 -15.204  -2.266  1.00  0.00           H  
HETATM   78  H   UNL     1     -16.282 -12.989  -2.983  1.00  0.00           H  
HETATM   79  H   UNL     1     -17.020 -12.896  -1.366  1.00  0.00           H  
HETATM   80  H   UNL     1     -14.773 -13.075  -0.331  1.00  0.00           H  
HETATM   81  H   UNL     1     -14.036 -13.168  -1.949  1.00  0.00           H  
HETATM   82  H   UNL     1     -14.953 -10.931  -2.496  1.00  0.00           H  
HETATM   83  H   UNL     1     -15.690 -10.838  -0.878  1.00  0.00           H  
HETATM   84  H   UNL     1     -13.444 -11.017   0.156  1.00  0.00           H  
HETATM   85  H   UNL     1     -12.706 -11.110  -1.461  1.00  0.00           H  
HETATM   86  H   UNL     1     -13.623  -8.872  -2.008  1.00  0.00           H  
HETATM   87  H   UNL     1     -14.361  -8.779  -0.391  1.00  0.00           H  
HETATM   88  H   UNL     1     -12.115  -8.958   0.644  1.00  0.00           H  
HETATM   89  H   UNL     1     -11.377  -9.051  -0.973  1.00  0.00           H  
HETATM   90  H   UNL     1     -12.294  -6.813  -1.520  1.00  0.00           H  
HETATM   91  H   UNL     1     -13.032  -6.720   0.097  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.786  -6.900   1.132  1.00  0.00           H  
HETATM   93  H   UNL     1     -10.048  -6.993  -0.485  1.00  0.00           H  
HETATM   94  H   UNL     1     -10.965  -4.755  -1.032  1.00  0.00           H  
HETATM   95  H   UNL     1     -11.703  -4.662   0.585  1.00  0.00           H  
HETATM   96  H   UNL     1      -9.457  -4.841   1.620  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.719  -4.934   0.002  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.636  -2.696  -0.545  1.00  0.00           H  
HETATM   99  H   UNL     1     -10.374  -2.603   1.073  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.127  -2.783   2.107  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.390  -2.876   0.490  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.307  -0.638  -0.057  1.00  0.00           H  
HETATM  103  H   UNL     1      -9.044  -0.545   1.560  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.756  -0.797   2.566  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.867  -0.543  -0.187  1.00  0.00           H  
HETATM  106  H   UNL     1      -7.070   1.496   0.576  1.00  0.00           H  
HETATM  107  H   UNL     1      -8.000   1.180   3.307  1.00  0.00           H  
HETATM  108  H   UNL     1      -5.429   1.187   3.128  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.468   3.406   3.058  1.00  0.00           H  
HETATM  110  H   UNL     1      -4.742   3.551   2.650  1.00  0.00           H  
HETATM  111  H   UNL     1      -8.687   5.253   0.292  1.00  0.00           H  
HETATM  112  H   UNL     1      -7.243   5.518  -2.811  1.00  0.00           H  
HETATM  113  H   UNL     1      -1.179   5.854   1.996  1.00  0.00           H  
HETATM  114  H   UNL     1      -3.369   7.734  -2.711  1.00  0.00           H  
HETATM  115  H   UNL     1      -5.116   7.622  -3.032  1.00  0.00           H  
HETATM  116  H   UNL     1      -2.404   9.756  -1.775  1.00  0.00           H  
HETATM  117  H   UNL     1      -2.608  12.196  -1.520  1.00  0.00           H  
HETATM  118  H   UNL     1      -4.803  13.282  -1.771  1.00  0.00           H  
HETATM  119  H   UNL     1      -6.794  11.928  -2.288  1.00  0.00           H  
HETATM  120  H   UNL     1      -6.590   9.488  -2.549  1.00  0.00           H  
HETATM  121  H   UNL     1      -4.700   1.171   0.301  1.00  0.00           H  
HETATM  122  H   UNL     1      -2.323  -0.099   0.310  1.00  0.00           H  
HETATM  123  H   UNL     1      -2.062   1.633  -0.003  1.00  0.00           H  
HETATM  124  H   UNL     1      -0.626   1.781   2.013  1.00  0.00           H  
HETATM  125  H   UNL     1      -0.887   0.049   2.326  1.00  0.00           H  
HETATM  126  H   UNL     1       0.137  -0.501   0.135  1.00  0.00           H  
HETATM  127  H   UNL     1       0.398   1.231  -0.178  1.00  0.00           H  
HETATM  128  H   UNL     1       1.834   1.379   1.838  1.00  0.00           H  
HETATM  129  H   UNL     1       1.572  -0.354   2.151  1.00  0.00           H  
HETATM  130  H   UNL     1       2.596  -0.904  -0.039  1.00  0.00           H  
HETATM  131  H   UNL     1       2.857   0.829  -0.352  1.00  0.00           H  
HETATM  132  H   UNL     1       4.293   0.977   1.664  1.00  0.00           H  
HETATM  133  H   UNL     1       4.032  -0.756   1.977  1.00  0.00           H  
HETATM  134  H   UNL     1       5.056  -1.306  -0.214  1.00  0.00           H  
HETATM  135  H   UNL     1       5.317   0.427  -0.527  1.00  0.00           H  
HETATM  136  H   UNL     1       6.753   0.575   1.489  1.00  0.00           H  
HETATM  137  H   UNL     1       6.492  -1.158   1.802  1.00  0.00           H  
HETATM  138  H   UNL     1       7.516  -1.708  -0.388  1.00  0.00           H  
HETATM  139  H   UNL     1       7.777   0.025  -0.701  1.00  0.00           H  
HETATM  140  H   UNL     1       9.213   0.173   1.315  1.00  0.00           H  
HETATM  141  H   UNL     1       8.952  -1.560   1.628  1.00  0.00           H  
HETATM  142  H   UNL     1       9.975  -2.110  -0.563  1.00  0.00           H  
HETATM  143  H   UNL     1      10.236  -0.377  -0.876  1.00  0.00           H  
HETATM  144  H   UNL     1      11.672  -0.229   1.140  1.00  0.00           H  
HETATM  145  H   UNL     1      11.411  -1.962   1.453  1.00  0.00           H  
HETATM  146  H   UNL     1      12.435  -2.512  -0.737  1.00  0.00           H  
HETATM  147  H   UNL     1      12.696  -0.779  -1.050  1.00  0.00           H  
HETATM  148  H   UNL     1      14.132  -0.631   0.966  1.00  0.00           H  
HETATM  149  H   UNL     1      13.871  -2.364   1.279  1.00  0.00           H  
HETATM  150  H   UNL     1      14.895  -2.914  -0.912  1.00  0.00           H  
HETATM  151  H   UNL     1      15.156  -1.181  -1.225  1.00  0.00           H  
HETATM  152  H   UNL     1      16.592  -1.033   0.791  1.00  0.00           H  
HETATM  153  H   UNL     1      16.331  -2.766   1.104  1.00  0.00           H  
HETATM  154  H   UNL     1      17.355  -3.316  -1.086  1.00  0.00           H  
HETATM  155  H   UNL     1      17.616  -1.583  -1.399  1.00  0.00           H  
HETATM  156  H   UNL     1      19.052  -1.435   0.617  1.00  0.00           H  
HETATM  157  H   UNL     1      18.791  -3.168   0.930  1.00  0.00           H  
HETATM  158  H   UNL     1      19.814  -3.718  -1.261  1.00  0.00           H  
HETATM  159  H   UNL     1      20.075  -1.985  -1.574  1.00  0.00           H  
HETATM  160  H   UNL     1      21.511  -1.837   0.442  1.00  0.00           H  
HETATM  161  H   UNL     1      21.250  -3.570   0.756  1.00  0.00           H  
HETATM  162  H   UNL     1      22.274  -4.120  -1.435  1.00  0.00           H  
HETATM  163  H   UNL     1      22.535  -2.387  -1.748  1.00  0.00           H  
HETATM  164  H   UNL     1      23.971  -2.240   0.268  1.00  0.00           H  
HETATM  165  H   UNL     1      23.710  -3.972   0.581  1.00  0.00           H  
HETATM  166  H   UNL     1      24.734  -4.522  -1.610  1.00  0.00           H  
HETATM  167  H   UNL     1      24.995  -2.789  -1.923  1.00  0.00           H  
HETATM  168  H   UNL     1      26.431  -2.642   0.094  1.00  0.00           H  
HETATM  169  H   UNL     1      26.170  -4.374   0.407  1.00  0.00           H  
HETATM  170  H   UNL     1      27.194  -4.924  -1.784  1.00  0.00           H  
HETATM  171  H   UNL     1      27.455  -3.192  -2.097  1.00  0.00           H  
HETATM  172  H   UNL     1      28.321  -3.996  -0.767  1.00  0.00           H  
CONECT    1    2   30    6   68                                       
CONECT    2    3   32    1   69                                       
CONECT    3   29    4    2   70                                       
CONECT    4   28    3    5   71                                       
CONECT    5   27    4   30   72                                       
CONECT    6    1   31   73   74                                       
CONECT    7    8   75   76   77                                       
CONECT    8    7    9   78   79                                       
CONECT    9   10    8   80   81                                       
CONECT   10    9   11   82   83                                       
CONECT   11   10   12   84   85                                       
CONECT   12   11   13   86   87                                       
CONECT   13   12   14   88   89                                       
CONECT   14   13   15   90   91                                       
CONECT   15   14   16   92   93                                       
CONECT   16   15   17   94   95                                       
CONECT   17   16   18   96   97                                       
CONECT   18   17   19   98   99                                       
CONECT   19   18   20  100  101                                       
CONECT   20   19   21  102  103                                       
CONECT   21   22   20   23  104                                       
CONECT   22   21  105                                                 
CONECT   23   21   24   25  106                                       
CONECT   24   23  107                                                 
CONECT   25   23   40   26  108                                       
CONECT   26   25   27  109  110                                       
CONECT   27   26    5                                                 
CONECT   28    4  111                                                 
CONECT   29    3  112                                                 
CONECT   30    5    1                                                 
CONECT   31    6  113                                                 
CONECT   32    2   33                                                 
CONECT   33   32   34  114  115                                       
CONECT   34   39   39   35   33                                       
CONECT   35   36   36   34  116                                       
CONECT   36   37   35   35  117                                       
CONECT   37   38   38   36  118                                       
CONECT   38   37   37   39  119                                       
CONECT   39   38   34   34  120                                       
CONECT   40   25   41  121                                            
CONECT   41   40   43   42   42                                       
CONECT   42   41   41                                                 
CONECT   43   44   41  122  123                                       
CONECT   44   45   43  124  125                                       
CONECT   45   46   44  126  127                                       
CONECT   46   47   45  128  129                                       
CONECT   47   48   46  130  131                                       
CONECT   48   49   47  132  133                                       
CONECT   49   50   48  134  135                                       
CONECT   50   49   51  136  137                                       
CONECT   51   50   52  138  139                                       
CONECT   52   51   53  140  141                                       
CONECT   53   52   54  142  143                                       
CONECT   54   53   55  144  145                                       
CONECT   55   54   56  146  147                                       
CONECT   56   55   57  148  149                                       
CONECT   57   56   58  150  151                                       
CONECT   58   57   59  152  153                                       
CONECT   59   58   60  154  155                                       
CONECT   60   61   59  156  157                                       
CONECT   61   62   60  158  159                                       
CONECT   62   63   61  160  161                                       
CONECT   63   64   62  162  163                                       
CONECT   64   65   63  164  165                                       
CONECT   65   66   64  166  167                                       
CONECT   66   67   65  168  169                                       
CONECT   67   66  170  171  172                                       
CONECT   68    1                                                      
CONECT   69    2                                                      
CONECT   70    3                                                      
CONECT   71    4                                                      
CONECT   72    5                                                      
CONECT   73    6                                                      
CONECT   74    6                                                      
CONECT   75    7                                                      
CONECT   76    7                                                      
CONECT   77    7                                                      
CONECT   78    8                                                      
CONECT   79    8                                                      
CONECT   80    9                                                      
CONECT   81    9                                                      
CONECT   82   10                                                      
CONECT   83   10                                                      
CONECT   84   11                                                      
CONECT   85   11                                                      
CONECT   86   12                                                      
CONECT   87   12                                                      
CONECT   88   13                                                      
CONECT   89   13                                                      
CONECT   90   14                                                      
CONECT   91   14                                                      
CONECT   92   15                                                      
CONECT   93   15                                                      
CONECT   94   16                                                      
CONECT   95   16                                                      
CONECT   96   17                                                      
CONECT   97   17                                                      
CONECT   98   18                                                      
CONECT   99   18                                                      
CONECT  100   19                                                      
CONECT  101   19                                                      
CONECT  102   20                                                      
CONECT  103   20                                                      
CONECT  104   21                                                      
CONECT  105   22                                                      
CONECT  106   23                                                      
CONECT  107   24                                                      
CONECT  108   25                                                      
CONECT  109   26                                                      
CONECT  110   26                                                      
CONECT  111   28                                                      
CONECT  112   29                                                      
CONECT  113   31                                                      
CONECT  114   33                                                      
CONECT  115   33                                                      
CONECT  116   35                                                      
CONECT  117   36                                                      
CONECT  118   37                                                      
CONECT  119   38                                                      
CONECT  120   39                                                      
CONECT  121   40                                                      
CONECT  122   43                                                      
CONECT  123   43                                                      
CONECT  124   44                                                      
CONECT  125   44                                                      
CONECT  126   45                                                      
CONECT  127   45                                                      
CONECT  128   46                                                      
CONECT  129   46                                                      
CONECT  130   47                                                      
CONECT  131   47                                                      
CONECT  132   48                                                      
CONECT  133   48                                                      
CONECT  134   49                                                      
CONECT  135   49                                                      
CONECT  136   50                                                      
CONECT  137   50                                                      
CONECT  138   51                                                      
CONECT  139   51                                                      
CONECT  140   52                                                      
CONECT  141   52                                                      
CONECT  142   53                                                      
CONECT  143   53                                                      
CONECT  144   54                                                      
CONECT  145   54                                                      
CONECT  146   55                                                      
CONECT  147   55                                                      
CONECT  148   56                                                      
CONECT  149   56                                                      
CONECT  150   57                                                      
CONECT  151   57                                                      
CONECT  152   58                                                      
CONECT  153   58                                                      
CONECT  154   59                                                      
CONECT  155   59                                                      
CONECT  156   60                                                      
CONECT  157   60                                                      
CONECT  158   61                                                      
CONECT  159   61                                                      
CONECT  160   62                                                      
CONECT  161   62                                                      
CONECT  162   63                                                      
CONECT  163   63                                                      
CONECT  164   64                                                      
CONECT  165   64                                                      
CONECT  166   65                                                      
CONECT  167   65                                                      
CONECT  168   66                                                      
CONECT  169   66                                                      
CONECT  170   67                                                      
CONECT  171   67                                                      
CONECT  172   67                                                      
MASTER        0    0    0    0    0    0    0    0  172    0  172    0
END
