COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.315   4.229   0.001  1.00  0.00           C  
HETATM    2  C   UNL     1       0.375   3.947   1.337  1.00  0.00           C  
HETATM    3  C   UNL     1       1.833   3.557   1.085  1.00  0.00           C  
HETATM    4  C   UNL     1       4.956   0.459  -1.034  1.00  0.00           C  
HETATM    5  C   UNL     1       5.147  -0.786  -1.901  1.00  0.00           C  
HETATM    6  C   UNL     1       6.642  -1.063  -2.074  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.926   3.384  -2.042  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.912   2.166  -2.967  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.616   2.515  -4.280  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.886   3.678  -4.957  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.602   1.297  -5.206  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.305   1.646  -6.519  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.291   0.428  -7.445  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.995   0.777  -8.758  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.265   1.939  -9.434  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.981  -0.440  -9.683  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.685  -0.091 -10.996  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.671  -1.309 -11.922  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.374  -0.960 -13.235  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.821  -0.555 -12.946  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.360  -2.178 -14.161  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.064  -1.829 -15.474  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.050  -3.047 -16.399  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.754  -2.698 -17.712  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.740  -3.916 -18.638  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.201  -2.293 -17.424  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.138   3.097   3.405  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.838   1.979   4.180  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.669   2.217   5.682  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.290   3.563   6.058  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.369   1.098   6.457  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.200   1.336   7.959  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.900   0.218   8.734  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.732   0.456  10.236  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.242   0.465  10.587  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.431  -0.662  11.011  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.263  -0.424  12.513  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.962  -1.542  13.288  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.794  -1.305  14.790  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.415   0.041  15.166  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.494  -2.423  15.565  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.325  -2.185  17.067  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.025  -3.303  17.842  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.856  -3.066  19.344  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.556  -4.184  20.119  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.367  -3.056  19.695  1.00  0.00           C  
HETATM   47  O   UNL     1      -0.269   3.058  -0.815  1.00  0.00           O  
HETATM   48  O   UNL     1      -0.295   2.875   2.002  1.00  0.00           O  
HETATM   49  O   UNL     1       1.879   2.385   0.267  1.00  0.00           O  
HETATM   50  O   UNL     1       4.077   1.786   1.354  1.00  0.00           O  
HETATM   51  O   UNL     1       4.163   3.270  -0.686  1.00  0.00           O  
HETATM   52  O   UNL     1       3.560   0.717  -0.873  1.00  0.00           O  
HETATM   53  O   UNL     1       4.551  -0.571  -3.182  1.00  0.00           O  
HETATM   54  O   UNL     1       6.820  -2.227  -2.884  1.00  0.00           O  
HETATM   55  O   UNL     1       9.024  -1.274  -3.662  1.00  0.00           O  
HETATM   56  O   UNL     1       9.049  -2.675  -1.563  1.00  0.00           O  
HETATM   57  O   UNL     1       8.683  -3.761  -3.929  1.00  0.00           O  
HETATM   58  P   UNL     1       3.434   2.034   0.044  1.00  0.00           P  
HETATM   59  P   UNL     1       8.407  -2.458  -3.024  1.00  0.00           P  
HETATM   60  C   UNL     1      10.101  -3.912  -4.015  1.00  0.00           C  
HETATM   61  H   UNL     1      -1.353   4.507   0.180  1.00  0.00           H  
HETATM   62  H   UNL     1       0.197   5.047  -0.506  1.00  0.00           H  
HETATM   63  H   UNL     1       0.340   4.840   1.960  1.00  0.00           H  
HETATM   64  H   UNL     1       2.325   3.355   2.036  1.00  0.00           H  
HETATM   65  H   UNL     1       2.345   4.374   0.577  1.00  0.00           H  
HETATM   66  H   UNL     1       5.411   0.295  -0.057  1.00  0.00           H  
HETATM   67  H   UNL     1       5.431   1.313  -1.517  1.00  0.00           H  
HETATM   68  H   UNL     1       4.673  -1.641  -1.419  1.00  0.00           H  
HETATM   69  H   UNL     1       7.096  -1.228  -1.097  1.00  0.00           H  
HETATM   70  H   UNL     1       7.116  -0.209  -2.556  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.957   3.672  -1.836  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.406   4.212  -2.523  1.00  0.00           H  
HETATM   73  H   UNL     1       0.118   1.877  -3.173  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.432   1.338  -2.486  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.646   2.803  -4.075  1.00  0.00           H  
HETATM   76  H   UNL     1       0.144   3.389  -5.162  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.387   3.926  -5.892  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.896   4.545  -4.297  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.571   1.008  -5.412  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.122   0.469  -4.724  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.336   1.934  -6.314  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.785   2.474  -7.001  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.261   0.139  -7.650  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.811  -0.399  -6.963  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.026   1.065  -8.552  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.234   1.651  -9.639  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.766   2.188 -10.369  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.275   2.807  -8.774  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.950  -0.729  -9.889  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.501  -1.269  -9.202  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.715   0.196 -10.791  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.165   0.736 -11.478  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.640  -1.598 -12.128  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.191  -2.138 -11.440  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.854  -0.132 -13.717  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.341  -1.384 -12.465  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.831   0.312 -12.287  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.322  -0.307 -13.882  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.330  -2.467 -14.366  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.880  -3.007 -13.679  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.095  -1.541 -15.268  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.544  -1.001 -15.955  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.019  -3.336 -16.605  1.00  0.00           H  
HETATM  104  H   UNL     1      -5.570  -3.876 -15.918  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.234  -1.870 -18.194  1.00  0.00           H  
HETATM  106  H   UNL     1      -6.241  -3.668 -19.573  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.709  -4.205 -18.844  1.00  0.00           H  
HETATM  108  H   UNL     1      -6.260  -4.745 -18.156  1.00  0.00           H  
HETATM  109  H   UNL     1      -7.720  -3.122 -16.942  1.00  0.00           H  
HETATM  110  H   UNL     1      -7.210  -1.426 -16.764  1.00  0.00           H  
HETATM  111  H   UNL     1      -7.702  -2.045 -18.359  1.00  0.00           H  
HETATM  112  H   UNL     1       0.922   3.104   3.655  1.00  0.00           H  
HETATM  113  H   UNL     1      -0.581   4.057   3.673  1.00  0.00           H  
HETATM  114  H   UNL     1      -1.899   1.972   3.930  1.00  0.00           H  
HETATM  115  H   UNL     1      -0.395   1.019   3.912  1.00  0.00           H  
HETATM  116  H   UNL     1       0.391   2.223   5.932  1.00  0.00           H  
HETATM  117  H   UNL     1      -2.351   3.557   5.808  1.00  0.00           H  
HETATM  118  H   UNL     1      -1.170   3.733   7.128  1.00  0.00           H  
HETATM  119  H   UNL     1      -0.792   4.360   5.506  1.00  0.00           H  
HETATM  120  H   UNL     1      -2.430   1.092   6.207  1.00  0.00           H  
HETATM  121  H   UNL     1      -0.926   0.139   6.189  1.00  0.00           H  
HETATM  122  H   UNL     1      -0.140   1.343   8.209  1.00  0.00           H  
HETATM  123  H   UNL     1      -1.643   2.296   8.227  1.00  0.00           H  
HETATM  124  H   UNL     1      -2.961   0.211   8.484  1.00  0.00           H  
HETATM  125  H   UNL     1      -1.458  -0.741   8.466  1.00  0.00           H  
HETATM  126  H   UNL     1      -2.174   1.415  10.504  1.00  0.00           H  
HETATM  127  H   UNL     1       0.199  -0.494  10.319  1.00  0.00           H  
HETATM  128  H   UNL     1       0.255   1.262  10.035  1.00  0.00           H  
HETATM  129  H   UNL     1      -0.122   0.634  11.657  1.00  0.00           H  
HETATM  130  H   UNL     1      -3.492  -0.669  10.761  1.00  0.00           H  
HETATM  131  H   UNL     1      -1.989  -1.621  10.744  1.00  0.00           H  
HETATM  132  H   UNL     1      -1.202  -0.417  12.763  1.00  0.00           H  
HETATM  133  H   UNL     1      -2.705   0.535  12.781  1.00  0.00           H  
HETATM  134  H   UNL     1      -4.023  -1.549  13.038  1.00  0.00           H  
HETATM  135  H   UNL     1      -2.520  -2.502  13.021  1.00  0.00           H  
HETATM  136  H   UNL     1      -1.733  -1.298  15.040  1.00  0.00           H  
HETATM  137  H   UNL     1      -4.476   0.035  14.916  1.00  0.00           H  
HETATM  138  H   UNL     1      -3.295   0.211  16.236  1.00  0.00           H  
HETATM  139  H   UNL     1      -2.917   0.838  14.614  1.00  0.00           H  
HETATM  140  H   UNL     1      -4.555  -2.430  15.315  1.00  0.00           H  
HETATM  141  H   UNL     1      -3.051  -3.382  15.298  1.00  0.00           H  
HETATM  142  H   UNL     1      -2.264  -2.178  17.317  1.00  0.00           H  
HETATM  143  H   UNL     1      -3.768  -1.226  17.335  1.00  0.00           H  
HETATM  144  H   UNL     1      -5.086  -3.310  17.592  1.00  0.00           H  
HETATM  145  H   UNL     1      -3.582  -4.263  17.575  1.00  0.00           H  
HETATM  146  H   UNL     1      -4.299  -2.106  19.612  1.00  0.00           H  
HETATM  147  H   UNL     1      -4.436  -4.014  21.190  1.00  0.00           H  
HETATM  148  H   UNL     1      -5.617  -4.191  19.869  1.00  0.00           H  
HETATM  149  H   UNL     1      -4.114  -5.143  19.852  1.00  0.00           H  
HETATM  150  H   UNL     1      -1.925  -4.016  19.428  1.00  0.00           H  
HETATM  151  H   UNL     1      -1.869  -2.259  19.143  1.00  0.00           H  
HETATM  152  H   UNL     1      -2.247  -2.887  20.766  1.00  0.00           H  
HETATM  153  H   UNL     1       3.715   3.397  -1.533  1.00  0.00           H  
HETATM  154  H   UNL     1       4.999   0.191  -3.574  1.00  0.00           H  
HETATM  155  H   UNL     1       8.620  -3.454  -1.182  1.00  0.00           H  
HETATM  156  H   UNL     1      10.337  -4.786  -4.622  1.00  0.00           H  
HETATM  157  H   UNL     1      10.534  -3.023  -4.474  1.00  0.00           H  
HETATM  158  H   UNL     1      10.514  -4.042  -3.015  1.00  0.00           H  
CONECT    1    2   47   61   62                                       
CONECT    2    1    3   48   63                                       
CONECT    3    2   49   64   65                                       
CONECT    4    5   52   66   67                                       
CONECT    5    4    6   53   68                                       
CONECT    6    5   54   69   70                                       
CONECT    7    8   47   71   72                                       
CONECT    8    7    9   73   74                                       
CONECT    9    8   10   11   75                                       
CONECT   10    9   76   77   78                                       
CONECT   11    9   12   79   80                                       
CONECT   12   11   13   81   82                                       
CONECT   13   12   14   83   84                                       
CONECT   14   13   15   16   85                                       
CONECT   15   14   86   87   88                                       
CONECT   16   14   17   89   90                                       
CONECT   17   16   18   91   92                                       
CONECT   18   17   19   93   94                                       
CONECT   19   18   20   21   95                                       
CONECT   20   19   96   97   98                                       
CONECT   21   19   22   99  100                                       
CONECT   22   21   23  101  102                                       
CONECT   23   22   24  103  104                                       
CONECT   24   23   25   26  105                                       
CONECT   25   24  106  107  108                                       
CONECT   26   24  109  110  111                                       
CONECT   27   28   48  112  113                                       
CONECT   28   27   29  114  115                                       
CONECT   29   28   30   31  116                                       
CONECT   30   29  117  118  119                                       
CONECT   31   29   32  120  121                                       
CONECT   32   31   33  122  123                                       
CONECT   33   32   34  124  125                                       
CONECT   34   33   35   36  126                                       
CONECT   35   34  127  128  129                                       
CONECT   36   34   37  130  131                                       
CONECT   37   36   38  132  133                                       
CONECT   38   37   39  134  135                                       
CONECT   39   38   40   41  136                                       
CONECT   40   39  137  138  139                                       
CONECT   41   39   42  140  141                                       
CONECT   42   41   43  142  143                                       
CONECT   43   42   44  144  145                                       
CONECT   44   43   45   46  146                                       
CONECT   45   44  147  148  149                                       
CONECT   46   44  150  151  152                                       
CONECT   47    1    7                                                 
CONECT   48    2   27                                                 
CONECT   49    3   58                                                 
CONECT   50   58   58                                                 
CONECT   51   58  153                                                 
CONECT   52    4   58                                                 
CONECT   53    5  154                                                 
CONECT   54    6   59                                                 
CONECT   55   59   59                                                 
CONECT   56   59  155                                                 
CONECT   57   59   60                                                 
CONECT   58   49   50   50   51                                       
CONECT   58   52                                                      
CONECT   59   54   55   55   56                                       
CONECT   59   57                                                      
CONECT   60   57  156  157  158                                       
CONECT   61    1                                                      
CONECT   62    1                                                      
CONECT   63    2                                                      
CONECT   64    3                                                      
CONECT   65    3                                                      
CONECT   66    4                                                      
CONECT   67    4                                                      
CONECT   68    5                                                      
CONECT   69    6                                                      
CONECT   70    6                                                      
CONECT   71    7                                                      
CONECT   72    7                                                      
CONECT   73    8                                                      
CONECT   74    8                                                      
CONECT   75    9                                                      
CONECT   76   10                                                      
CONECT   77   10                                                      
CONECT   78   10                                                      
CONECT   79   11                                                      
CONECT   80   11                                                      
CONECT   81   12                                                      
CONECT   82   12                                                      
CONECT   83   13                                                      
CONECT   84   13                                                      
CONECT   85   14                                                      
CONECT   86   15                                                      
CONECT   87   15                                                      
CONECT   88   15                                                      
CONECT   89   16                                                      
CONECT   90   16                                                      
CONECT   91   17                                                      
CONECT   92   17                                                      
CONECT   93   18                                                      
CONECT   94   18                                                      
CONECT   95   19                                                      
CONECT   96   20                                                      
CONECT   97   20                                                      
CONECT   98   20                                                      
CONECT   99   21                                                      
CONECT  100   21                                                      
CONECT  101   22                                                      
CONECT  102   22                                                      
CONECT  103   23                                                      
CONECT  104   23                                                      
CONECT  105   24                                                      
CONECT  106   25                                                      
CONECT  107   25                                                      
CONECT  108   25                                                      
CONECT  109   26                                                      
CONECT  110   26                                                      
CONECT  111   26                                                      
CONECT  112   27                                                      
CONECT  113   27                                                      
CONECT  114   28                                                      
CONECT  115   28                                                      
CONECT  116   29                                                      
CONECT  117   30                                                      
CONECT  118   30                                                      
CONECT  119   30                                                      
CONECT  120   31                                                      
CONECT  121   31                                                      
CONECT  122   32                                                      
CONECT  123   32                                                      
CONECT  124   33                                                      
CONECT  125   33                                                      
CONECT  126   34                                                      
CONECT  127   35                                                      
CONECT  128   35                                                      
CONECT  129   35                                                      
CONECT  130   36                                                      
CONECT  131   36                                                      
CONECT  132   37                                                      
CONECT  133   37                                                      
CONECT  134   38                                                      
CONECT  135   38                                                      
CONECT  136   39                                                      
CONECT  137   40                                                      
CONECT  138   40                                                      
CONECT  139   40                                                      
CONECT  140   41                                                      
CONECT  141   41                                                      
CONECT  142   42                                                      
CONECT  143   42                                                      
CONECT  144   43                                                      
CONECT  145   43                                                      
CONECT  146   44                                                      
CONECT  147   45                                                      
CONECT  148   45                                                      
CONECT  149   45                                                      
CONECT  150   46                                                      
CONECT  151   46                                                      
CONECT  152   46                                                      
CONECT  153   51                                                      
CONECT  154   53                                                      
CONECT  155   56                                                      
CONECT  156   60                                                      
CONECT  157   60                                                      
CONECT  158   60                                                      
MASTER        0    0    0    0    0    0    0    0  158    0  158    0
END
