COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.079  -0.412   1.203  1.00  0.00           C  
HETATM    2  C   UNL     1      15.295   4.845  -0.411  1.00  0.00           C  
HETATM    3  C   UNL     1       5.579  -0.565   1.461  1.00  0.00           C  
HETATM    4  C   UNL     1       6.322   0.640   0.880  1.00  0.00           C  
HETATM    5  C   UNL     1      12.309   2.589   0.492  1.00  0.00           C  
HETATM    6  C   UNL     1       7.822   0.486   1.138  1.00  0.00           C  
HETATM    7  C   UNL     1       8.566   1.691   0.557  1.00  0.00           C  
HETATM    8  C   UNL     1      10.066   1.538   0.815  1.00  0.00           C  
HETATM    9  C   UNL     1      10.809   2.743   0.234  1.00  0.00           C  
HETATM   10  C   UNL     1      13.052   3.794  -0.089  1.00  0.00           C  
HETATM   11  C   UNL     1      14.552   3.641   0.169  1.00  0.00           C  
HETATM   12  N   UNL     1       1.585  -1.386   0.002  1.00  0.00           N  
HETATM   13  C   UNL     1       3.349  -1.672   1.671  1.00  0.00           C  
HETATM   14  C   UNL     1     -19.885   6.404   2.710  1.00  0.00           C  
HETATM   15  C   UNL     1     -18.659   5.543   3.023  1.00  0.00           C  
HETATM   16  C   UNL     1     -17.862   5.303   1.740  1.00  0.00           C  
HETATM   17  C   UNL     1     -16.637   4.443   2.053  1.00  0.00           C  
HETATM   18  C   UNL     1     -15.840   4.203   0.770  1.00  0.00           C  
HETATM   19  C   UNL     1     -14.614   3.342   1.083  1.00  0.00           C  
HETATM   20  C   UNL     1     -13.818   3.102  -0.200  1.00  0.00           C  
HETATM   21  C   UNL     1     -12.592   2.242   0.113  1.00  0.00           C  
HETATM   22  C   UNL     1     -11.795   2.002  -1.171  1.00  0.00           C  
HETATM   23  C   UNL     1     -10.569   1.141  -0.857  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.773   0.901  -2.141  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.656  -0.540  -2.640  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.443   0.155  -2.017  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.309   0.572  -2.956  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.038  -0.199  -2.595  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.904   0.219  -3.533  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.633  -0.552  -3.172  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.516  -0.141  -4.097  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.370   0.258  -3.603  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.102   0.133  -2.125  1.00  0.00           C  
HETATM   34  C   UNL     1       0.209  -0.625  -1.908  1.00  0.00           C  
HETATM   35  C   UNL     1       0.478  -0.751  -0.430  1.00  0.00           C  
HETATM   36  O   UNL     1      -0.303  -0.280   0.370  1.00  0.00           O  
HETATM   37  C   UNL     1       1.846  -1.508   1.438  1.00  0.00           C  
HETATM   38  C   UNL     1       1.108  -2.730   1.989  1.00  0.00           C  
HETATM   39  O   UNL     1       1.644  -3.916   1.398  1.00  0.00           O  
HETATM   40  C   UNL     1       1.021  -5.121   1.847  1.00  0.00           C  
HETATM   41  O   UNL     1      -0.310  -5.191   1.330  1.00  0.00           O  
HETATM   42  C   UNL     1      -0.384  -5.160  -0.097  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.849  -5.211  -0.533  1.00  0.00           C  
HETATM   44  O   UNL     1      -2.519  -4.027  -0.094  1.00  0.00           O  
HETATM   45  C   UNL     1       0.362  -6.366  -0.672  1.00  0.00           C  
HETATM   46  O   UNL     1      -0.268  -7.571  -0.233  1.00  0.00           O  
HETATM   47  C   UNL     1       1.814  -6.340  -0.182  1.00  0.00           C  
HETATM   48  O   UNL     1       2.498  -7.502  -0.654  1.00  0.00           O  
HETATM   49  C   UNL     1       1.823  -6.326   1.350  1.00  0.00           C  
HETATM   50  O   UNL     1       3.170  -6.229   1.818  1.00  0.00           O  
HETATM   51  O   UNL     1       3.596  -1.875   3.064  1.00  0.00           O  
HETATM   52  O   UNL     1       3.585   0.720   1.923  1.00  0.00           O  
HETATM   53  C   UNL     1      16.796   4.692  -0.154  1.00  0.00           C  
HETATM   54  C   UNL     1      17.539   5.897  -0.734  1.00  0.00           C  
HETATM   55  C   UNL     1      19.039   5.743  -0.477  1.00  0.00           C  
HETATM   56  C   UNL     1      19.782   6.948  -1.057  1.00  0.00           C  
HETATM   57  H   UNL     1       3.906  -0.268   0.136  1.00  0.00           H  
HETATM   58  H   UNL     1      15.115   4.901  -1.485  1.00  0.00           H  
HETATM   59  H   UNL     1      14.936   5.758   0.065  1.00  0.00           H  
HETATM   60  H   UNL     1       5.760  -0.621   2.534  1.00  0.00           H  
HETATM   61  H   UNL     1       5.938  -1.478   0.984  1.00  0.00           H  
HETATM   62  H   UNL     1       6.142   0.695  -0.193  1.00  0.00           H  
HETATM   63  H   UNL     1       5.963   1.552   1.356  1.00  0.00           H  
HETATM   64  H   UNL     1      12.490   2.534   1.566  1.00  0.00           H  
HETATM   65  H   UNL     1      12.668   1.677   0.016  1.00  0.00           H  
HETATM   66  H   UNL     1       8.003   0.431   2.211  1.00  0.00           H  
HETATM   67  H   UNL     1       8.182  -0.426   0.661  1.00  0.00           H  
HETATM   68  H   UNL     1       8.385   1.746  -0.516  1.00  0.00           H  
HETATM   69  H   UNL     1       8.206   2.603   1.033  1.00  0.00           H  
HETATM   70  H   UNL     1      10.246   1.482   1.888  1.00  0.00           H  
HETATM   71  H   UNL     1      10.425   0.625   0.339  1.00  0.00           H  
HETATM   72  H   UNL     1      10.450   3.655   0.711  1.00  0.00           H  
HETATM   73  H   UNL     1      10.628   2.798  -0.839  1.00  0.00           H  
HETATM   74  H   UNL     1      12.872   3.849  -1.162  1.00  0.00           H  
HETATM   75  H   UNL     1      12.693   4.706   0.388  1.00  0.00           H  
HETATM   76  H   UNL     1      14.911   2.728  -0.307  1.00  0.00           H  
HETATM   77  H   UNL     1      14.733   3.585   1.243  1.00  0.00           H  
HETATM   78  H   UNL     1       2.209  -1.763  -0.638  1.00  0.00           H  
HETATM   79  H   UNL     1       3.712  -2.533   1.109  1.00  0.00           H  
HETATM   80  H   UNL     1     -20.514   5.889   1.983  1.00  0.00           H  
HETATM   81  H   UNL     1     -20.452   6.575   3.624  1.00  0.00           H  
HETATM   82  H   UNL     1     -19.562   7.360   2.298  1.00  0.00           H  
HETATM   83  H   UNL     1     -18.031   6.058   3.750  1.00  0.00           H  
HETATM   84  H   UNL     1     -18.982   4.587   3.435  1.00  0.00           H  
HETATM   85  H   UNL     1     -18.491   4.788   1.013  1.00  0.00           H  
HETATM   86  H   UNL     1     -17.540   6.259   1.328  1.00  0.00           H  
HETATM   87  H   UNL     1     -16.008   4.958   2.780  1.00  0.00           H  
HETATM   88  H   UNL     1     -16.959   3.487   2.465  1.00  0.00           H  
HETATM   89  H   UNL     1     -16.469   3.688   0.043  1.00  0.00           H  
HETATM   90  H   UNL     1     -15.517   5.159   0.358  1.00  0.00           H  
HETATM   91  H   UNL     1     -13.986   3.857   1.810  1.00  0.00           H  
HETATM   92  H   UNL     1     -14.937   2.386   1.495  1.00  0.00           H  
HETATM   93  H   UNL     1     -14.446   2.587  -0.927  1.00  0.00           H  
HETATM   94  H   UNL     1     -13.495   4.058  -0.612  1.00  0.00           H  
HETATM   95  H   UNL     1     -11.963   2.757   0.840  1.00  0.00           H  
HETATM   96  H   UNL     1     -12.915   1.286   0.525  1.00  0.00           H  
HETATM   97  H   UNL     1     -12.424   1.487  -1.897  1.00  0.00           H  
HETATM   98  H   UNL     1     -11.472   2.958  -1.582  1.00  0.00           H  
HETATM   99  H   UNL     1      -9.941   1.656  -0.130  1.00  0.00           H  
HETATM  100  H   UNL     1     -10.892   0.185  -0.445  1.00  0.00           H  
HETATM  101  H   UNL     1      -9.840   1.690  -2.890  1.00  0.00           H  
HETATM  102  H   UNL     1     -10.146  -1.317  -2.054  1.00  0.00           H  
HETATM  103  H   UNL     1      -9.646  -0.700  -3.718  1.00  0.00           H  
HETATM  104  H   UNL     1      -8.135  -0.165  -1.022  1.00  0.00           H  
HETATM  105  H   UNL     1      -7.589   0.349  -3.986  1.00  0.00           H  
HETATM  106  H   UNL     1      -7.127   1.642  -2.853  1.00  0.00           H  
HETATM  107  H   UNL     1      -5.758   0.025  -1.565  1.00  0.00           H  
HETATM  108  H   UNL     1      -6.220  -1.268  -2.698  1.00  0.00           H  
HETATM  109  H   UNL     1      -5.184  -0.004  -4.563  1.00  0.00           H  
HETATM  110  H   UNL     1      -4.722   1.289  -3.430  1.00  0.00           H  
HETATM  111  H   UNL     1      -3.353  -0.329  -2.143  1.00  0.00           H  
HETATM  112  H   UNL     1      -3.815  -1.622  -3.276  1.00  0.00           H  
HETATM  113  H   UNL     1      -2.660  -0.176  -5.167  1.00  0.00           H  
HETATM  114  H   UNL     1      -0.618   0.678  -4.255  1.00  0.00           H  
HETATM  115  H   UNL     1      -1.024   1.127  -1.684  1.00  0.00           H  
HETATM  116  H   UNL     1      -1.919  -0.412  -1.653  1.00  0.00           H  
HETATM  117  H   UNL     1       0.132  -1.619  -2.349  1.00  0.00           H  
HETATM  118  H   UNL     1       1.027  -0.081  -2.381  1.00  0.00           H  
HETATM  119  H   UNL     1       1.495  -0.611   1.949  1.00  0.00           H  
HETATM  120  H   UNL     1       1.235  -2.774   3.070  1.00  0.00           H  
HETATM  121  H   UNL     1       0.047  -2.652   1.750  1.00  0.00           H  
HETATM  122  H   UNL     1       0.988  -5.130   2.936  1.00  0.00           H  
HETATM  123  H   UNL     1       0.073  -4.241  -0.465  1.00  0.00           H  
HETATM  124  H   UNL     1      -1.903  -5.277  -1.620  1.00  0.00           H  
HETATM  125  H   UNL     1      -2.329  -6.085  -0.092  1.00  0.00           H  
HETATM  126  H   UNL     1      -3.454  -3.992  -0.336  1.00  0.00           H  
HETATM  127  H   UNL     1       0.344  -6.321  -1.761  1.00  0.00           H  
HETATM  128  H   UNL     1       0.153  -8.378  -0.561  1.00  0.00           H  
HETATM  129  H   UNL     1       2.309  -5.445  -0.558  1.00  0.00           H  
HETATM  130  H   UNL     1       3.423  -7.555  -0.375  1.00  0.00           H  
HETATM  131  H   UNL     1       1.372  -7.245   1.725  1.00  0.00           H  
HETATM  132  H   UNL     1       3.252  -6.215   2.781  1.00  0.00           H  
HETATM  133  H   UNL     1       3.228  -1.186   3.634  1.00  0.00           H  
HETATM  134  H   UNL     1       3.705   0.660   2.880  1.00  0.00           H  
HETATM  135  H   UNL     1      16.976   4.637   0.920  1.00  0.00           H  
HETATM  136  H   UNL     1      17.155   3.780  -0.630  1.00  0.00           H  
HETATM  137  H   UNL     1      17.358   5.952  -1.808  1.00  0.00           H  
HETATM  138  H   UNL     1      17.180   6.809  -0.258  1.00  0.00           H  
HETATM  139  H   UNL     1      19.220   5.688   0.597  1.00  0.00           H  
HETATM  140  H   UNL     1      19.398   4.831  -0.953  1.00  0.00           H  
HETATM  141  H   UNL     1      20.851   6.839  -0.873  1.00  0.00           H  
HETATM  142  H   UNL     1      19.602   7.004  -2.131  1.00  0.00           H  
HETATM  143  H   UNL     1      19.423   7.861  -0.581  1.00  0.00           H  
CONECT    1   52    3   13   57                                       
CONECT    2   53   11   58   59                                       
CONECT    3    4    1   60   61                                       
CONECT    4    6    3   62   63                                       
CONECT    5   10    9   64   65                                       
CONECT    6    7    4   66   67                                       
CONECT    7    8    6   68   69                                       
CONECT    8    9    7   70   71                                       
CONECT    9    5    8   72   73                                       
CONECT   10   11    5   74   75                                       
CONECT   11    2   10   76   77                                       
CONECT   12   37   35   78                                            
CONECT   13    1   51   37   79                                       
CONECT   14   15   80   81   82                                       
CONECT   15   14   16   83   84                                       
CONECT   16   15   17   85   86                                       
CONECT   17   18   16   87   88                                       
CONECT   18   19   17   89   90                                       
CONECT   19   20   18   91   92                                       
CONECT   20   21   19   93   94                                       
CONECT   21   22   20   95   96                                       
CONECT   22   23   21   97   98                                       
CONECT   23   24   22   99  100                                       
CONECT   24   25   26   23  101                                       
CONECT   25   26   24  102  103                                       
CONECT   26   27   25   24  104                                       
CONECT   27   28   26  105  106                                       
CONECT   28   27   29  107  108                                       
CONECT   29   28   30  109  110                                       
CONECT   30   31   29  111  112                                       
CONECT   31   32   32   30  113                                       
CONECT   32   31   31   33  114                                       
CONECT   33   32   34  115  116                                       
CONECT   34   33   35  117  118                                       
CONECT   35   12   34   36   36                                       
CONECT   36   35   35                                                 
CONECT   37   13   12   38  119                                       
CONECT   38   37   39  120  121                                       
CONECT   39   40   38                                                 
CONECT   40   49   39   41  122                                       
CONECT   41   40   42                                                 
CONECT   42   45   41   43  123                                       
CONECT   43   42   44  124  125                                       
CONECT   44   43  126                                                 
CONECT   45   47   46   42  127                                       
CONECT   46   45  128                                                 
CONECT   47   48   49   45  129                                       
CONECT   48   47  130                                                 
CONECT   49   50   47   40  131                                       
CONECT   50   49  132                                                 
CONECT   51   13  133                                                 
CONECT   52    1  134                                                 
CONECT   53   54    2  135  136                                       
CONECT   54   53   55  137  138                                       
CONECT   55   56   54  139  140                                       
CONECT   56   55  141  142  143                                       
CONECT   57    1                                                      
CONECT   58    2                                                      
CONECT   59    2                                                      
CONECT   60    3                                                      
CONECT   61    3                                                      
CONECT   62    4                                                      
CONECT   63    4                                                      
CONECT   64    5                                                      
CONECT   65    5                                                      
CONECT   66    6                                                      
CONECT   67    6                                                      
CONECT   68    7                                                      
CONECT   69    7                                                      
CONECT   70    8                                                      
CONECT   71    8                                                      
CONECT   72    9                                                      
CONECT   73    9                                                      
CONECT   74   10                                                      
CONECT   75   10                                                      
CONECT   76   11                                                      
CONECT   77   11                                                      
CONECT   78   12                                                      
CONECT   79   13                                                      
CONECT   80   14                                                      
CONECT   81   14                                                      
CONECT   82   14                                                      
CONECT   83   15                                                      
CONECT   84   15                                                      
CONECT   85   16                                                      
CONECT   86   16                                                      
CONECT   87   17                                                      
CONECT   88   17                                                      
CONECT   89   18                                                      
CONECT   90   18                                                      
CONECT   91   19                                                      
CONECT   92   19                                                      
CONECT   93   20                                                      
CONECT   94   20                                                      
CONECT   95   21                                                      
CONECT   96   21                                                      
CONECT   97   22                                                      
CONECT   98   22                                                      
CONECT   99   23                                                      
CONECT  100   23                                                      
CONECT  101   24                                                      
CONECT  102   25                                                      
CONECT  103   25                                                      
CONECT  104   26                                                      
CONECT  105   27                                                      
CONECT  106   27                                                      
CONECT  107   28                                                      
CONECT  108   28                                                      
CONECT  109   29                                                      
CONECT  110   29                                                      
CONECT  111   30                                                      
CONECT  112   30                                                      
CONECT  113   31                                                      
CONECT  114   32                                                      
CONECT  115   33                                                      
CONECT  116   33                                                      
CONECT  117   34                                                      
CONECT  118   34                                                      
CONECT  119   37                                                      
CONECT  120   38                                                      
CONECT  121   38                                                      
CONECT  122   40                                                      
CONECT  123   42                                                      
CONECT  124   43                                                      
CONECT  125   43                                                      
CONECT  126   44                                                      
CONECT  127   45                                                      
CONECT  128   46                                                      
CONECT  129   47                                                      
CONECT  130   48                                                      
CONECT  131   49                                                      
CONECT  132   50                                                      
CONECT  133   51                                                      
CONECT  134   52                                                      
CONECT  135   53                                                      
CONECT  136   53                                                      
CONECT  137   54                                                      
CONECT  138   54                                                      
CONECT  139   55                                                      
CONECT  140   55                                                      
CONECT  141   56                                                      
CONECT  142   56                                                      
CONECT  143   56                                                      
MASTER        0    0    0    0    0    0    0    0  143    0  143    0
END
