COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.011  -3.291  -2.955  1.00  0.00           C  
HETATM    2  C   UNL     1       2.598  -2.858  -2.555  1.00  0.00           C  
HETATM    3  C   UNL     1       2.180  -1.646  -3.390  1.00  0.00           C  
HETATM    4  C   UNL     1       4.399  -4.540  -2.158  1.00  0.00           C  
HETATM    5  C   UNL     1     -22.028   5.610  -1.001  1.00  0.00           C  
HETATM    6  C   UNL     1     -21.100   4.763  -0.128  1.00  0.00           C  
HETATM    7  C   UNL     1     -19.725   4.664  -0.791  1.00  0.00           C  
HETATM    8  C   UNL     1     -18.797   3.816   0.082  1.00  0.00           C  
HETATM    9  C   UNL     1     -17.422   3.718  -0.582  1.00  0.00           C  
HETATM   10  C   UNL     1     -16.494   2.871   0.291  1.00  0.00           C  
HETATM   11  C   UNL     1     -15.119   2.772  -0.372  1.00  0.00           C  
HETATM   12  C   UNL     1     -14.191   1.924   0.501  1.00  0.00           C  
HETATM   13  C   UNL     1     -12.816   1.826  -0.163  1.00  0.00           C  
HETATM   14  C   UNL     1     -11.888   0.978   0.710  1.00  0.00           C  
HETATM   15  C   UNL     1     -10.513   0.879   0.047  1.00  0.00           C  
HETATM   16  C   UNL     1      -9.585   0.032   0.920  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.210  -0.067   0.256  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.282  -0.914   1.129  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.907  -1.013   0.466  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.980  -1.860   1.339  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.605  -1.959   0.675  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.691  -2.793   1.535  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.067  -3.184   2.615  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.459  -3.103   1.102  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.675  -4.003   1.929  1.00  0.00           C  
HETATM   26  C   UNL     1       0.731  -4.141   1.343  1.00  0.00           C  
HETATM   27  C   UNL     1       0.633  -4.576  -0.121  1.00  0.00           C  
HETATM   28  O   UNL     1       1.945  -4.806  -0.638  1.00  0.00           O  
HETATM   29  C   UNL     1       1.973  -5.114  -2.033  1.00  0.00           C  
HETATM   30  O   UNL     1       1.688  -3.935  -2.788  1.00  0.00           O  
HETATM   31  O   UNL     1       0.910  -1.171  -2.937  1.00  0.00           O  
HETATM   32  O   UNL     1       4.932  -2.236  -2.670  1.00  0.00           O  
HETATM   33  O   UNL     1       5.687  -4.994  -2.577  1.00  0.00           O  
HETATM   34  C   UNL     1       3.361  -5.637  -2.412  1.00  0.00           C  
HETATM   35  O   UNL     1       3.673  -6.783  -1.618  1.00  0.00           O  
HETATM   36  O   UNL     1       1.416  -2.863   1.423  1.00  0.00           O  
HETATM   37  C   UNL     1       2.752  -2.895   1.555  1.00  0.00           C  
HETATM   38  O   UNL     1       3.329  -3.956   1.602  1.00  0.00           O  
HETATM   39  C   UNL     1       3.531  -1.609   1.644  1.00  0.00           C  
HETATM   40  C   UNL     1       5.021  -1.924   1.789  1.00  0.00           C  
HETATM   41  C   UNL     1       5.813  -0.618   1.880  1.00  0.00           C  
HETATM   42  C   UNL     1       7.303  -0.933   2.025  1.00  0.00           C  
HETATM   43  C   UNL     1       8.094   0.373   2.116  1.00  0.00           C  
HETATM   44  C   UNL     1       9.584   0.057   2.260  1.00  0.00           C  
HETATM   45  C   UNL     1      10.376   1.364   2.351  1.00  0.00           C  
HETATM   46  C   UNL     1      11.843   1.053   2.494  1.00  0.00           C  
HETATM   47  C   UNL     1      12.710   1.593   1.674  1.00  0.00           C  
HETATM   48  C   UNL     1      12.265   2.649   0.696  1.00  0.00           C  
HETATM   49  C   UNL     1      13.152   3.887   0.842  1.00  0.00           C  
HETATM   50  C   UNL     1      12.700   4.960  -0.151  1.00  0.00           C  
HETATM   51  C   UNL     1      13.587   6.198  -0.004  1.00  0.00           C  
HETATM   52  C   UNL     1      13.135   7.270  -0.997  1.00  0.00           C  
HETATM   53  C   UNL     1      14.022   8.508  -0.850  1.00  0.00           C  
HETATM   54  C   UNL     1      13.570   9.580  -1.843  1.00  0.00           C  
HETATM   55  C   UNL     1      14.457  10.818  -1.696  1.00  0.00           C  
HETATM   56  H   UNL     1       4.035  -3.517  -4.021  1.00  0.00           H  
HETATM   57  H   UNL     1       2.585  -2.593  -1.497  1.00  0.00           H  
HETATM   58  H   UNL     1       2.923  -0.857  -3.281  1.00  0.00           H  
HETATM   59  H   UNL     1       2.107  -1.935  -4.438  1.00  0.00           H  
HETATM   60  H   UNL     1       4.424  -4.301  -1.094  1.00  0.00           H  
HETATM   61  H   UNL     1     -23.007   5.680  -0.528  1.00  0.00           H  
HETATM   62  H   UNL     1     -21.607   6.609  -1.115  1.00  0.00           H  
HETATM   63  H   UNL     1     -22.130   5.144  -1.981  1.00  0.00           H  
HETATM   64  H   UNL     1     -20.998   5.228   0.852  1.00  0.00           H  
HETATM   65  H   UNL     1     -21.521   3.764  -0.013  1.00  0.00           H  
HETATM   66  H   UNL     1     -19.827   4.198  -1.771  1.00  0.00           H  
HETATM   67  H   UNL     1     -19.304   5.663  -0.906  1.00  0.00           H  
HETATM   68  H   UNL     1     -18.695   4.282   1.062  1.00  0.00           H  
HETATM   69  H   UNL     1     -19.218   2.818   0.196  1.00  0.00           H  
HETATM   70  H   UNL     1     -17.524   3.252  -1.562  1.00  0.00           H  
HETATM   71  H   UNL     1     -17.001   4.717  -0.696  1.00  0.00           H  
HETATM   72  H   UNL     1     -16.392   3.336   1.271  1.00  0.00           H  
HETATM   73  H   UNL     1     -16.915   1.872   0.406  1.00  0.00           H  
HETATM   74  H   UNL     1     -15.221   2.306  -1.352  1.00  0.00           H  
HETATM   75  H   UNL     1     -14.698   3.771  -0.487  1.00  0.00           H  
HETATM   76  H   UNL     1     -14.089   2.390   1.481  1.00  0.00           H  
HETATM   77  H   UNL     1     -14.612   0.925   0.615  1.00  0.00           H  
HETATM   78  H   UNL     1     -12.918   1.360  -1.143  1.00  0.00           H  
HETATM   79  H   UNL     1     -12.395   2.825  -0.277  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.786   1.444   1.691  1.00  0.00           H  
HETATM   81  H   UNL     1     -12.309  -0.021   0.825  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.615   0.414  -0.933  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.092   1.878  -0.068  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.483   0.498   1.900  1.00  0.00           H  
HETATM   85  H   UNL     1     -10.006  -0.967   1.034  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.312  -0.532  -0.724  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.790   0.932   0.142  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.180  -0.448   2.110  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.703  -1.913   1.244  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.010  -1.479  -0.514  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.487  -0.014   0.351  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.877  -1.394   2.319  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.400  -2.859   1.454  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.707  -2.425  -0.305  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.184  -0.960   0.561  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.609  -3.602   2.941  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.155  -4.981   1.957  1.00  0.00           H  
HETATM   98  H   UNL     1       1.288  -4.888   1.908  1.00  0.00           H  
HETATM   99  H   UNL     1       0.050  -5.495  -0.188  1.00  0.00           H  
HETATM  100  H   UNL     1       0.145  -3.793  -0.701  1.00  0.00           H  
HETATM  101  H   UNL     1       1.225  -5.876  -2.253  1.00  0.00           H  
HETATM  102  H   UNL     1       0.582  -0.402  -3.423  1.00  0.00           H  
HETATM  103  H   UNL     1       5.849  -2.442  -2.898  1.00  0.00           H  
HETATM  104  H   UNL     1       5.994  -5.788  -2.118  1.00  0.00           H  
HETATM  105  H   UNL     1       3.372  -5.911  -3.467  1.00  0.00           H  
HETATM  106  H   UNL     1       3.055  -7.519  -1.729  1.00  0.00           H  
HETATM  107  H   UNL     1       3.370  -1.023   0.739  1.00  0.00           H  
HETATM  108  H   UNL     1       3.194  -1.039   2.510  1.00  0.00           H  
HETATM  109  H   UNL     1       5.182  -2.510   2.694  1.00  0.00           H  
HETATM  110  H   UNL     1       5.358  -2.494   0.923  1.00  0.00           H  
HETATM  111  H   UNL     1       5.652  -0.032   0.975  1.00  0.00           H  
HETATM  112  H   UNL     1       5.476  -0.049   2.746  1.00  0.00           H  
HETATM  113  H   UNL     1       7.464  -1.519   2.930  1.00  0.00           H  
HETATM  114  H   UNL     1       7.640  -1.503   1.159  1.00  0.00           H  
HETATM  115  H   UNL     1       7.933   0.959   1.211  1.00  0.00           H  
HETATM  116  H   UNL     1       7.758   0.942   2.982  1.00  0.00           H  
HETATM  117  H   UNL     1       9.745  -0.529   3.165  1.00  0.00           H  
HETATM  118  H   UNL     1       9.921  -0.512   1.394  1.00  0.00           H  
HETATM  119  H   UNL     1      10.215   1.949   1.446  1.00  0.00           H  
HETATM  120  H   UNL     1      10.039   1.933   3.217  1.00  0.00           H  
HETATM  121  H   UNL     1      12.181   0.385   3.273  1.00  0.00           H  
HETATM  122  H   UNL     1      13.744   1.282   1.698  1.00  0.00           H  
HETATM  123  H   UNL     1      12.347   2.262  -0.320  1.00  0.00           H  
HETATM  124  H   UNL     1      11.228   2.919   0.899  1.00  0.00           H  
HETATM  125  H   UNL     1      13.070   4.275   1.858  1.00  0.00           H  
HETATM  126  H   UNL     1      14.188   3.618   0.639  1.00  0.00           H  
HETATM  127  H   UNL     1      12.782   4.572  -1.166  1.00  0.00           H  
HETATM  128  H   UNL     1      11.663   5.229   0.053  1.00  0.00           H  
HETATM  129  H   UNL     1      13.505   6.585   1.012  1.00  0.00           H  
HETATM  130  H   UNL     1      14.623   5.928  -0.207  1.00  0.00           H  
HETATM  131  H   UNL     1      13.217   6.883  -2.012  1.00  0.00           H  
HETATM  132  H   UNL     1      12.099   7.540  -0.793  1.00  0.00           H  
HETATM  133  H   UNL     1      13.940   8.895   0.166  1.00  0.00           H  
HETATM  134  H   UNL     1      15.059   8.238  -1.053  1.00  0.00           H  
HETATM  135  H   UNL     1      13.652   9.193  -2.859  1.00  0.00           H  
HETATM  136  H   UNL     1      12.534   9.850  -1.640  1.00  0.00           H  
HETATM  137  H   UNL     1      14.135  11.582  -2.404  1.00  0.00           H  
HETATM  138  H   UNL     1      14.375  11.205  -0.681  1.00  0.00           H  
HETATM  139  H   UNL     1      15.494  10.548  -1.900  1.00  0.00           H  
CONECT    1    4   32    2   56                                       
CONECT    2    1   30    3   57                                       
CONECT    3    2   31   58   59                                       
CONECT    4   33   34    1   60                                       
CONECT    5    6   61   62   63                                       
CONECT    6    5    7   64   65                                       
CONECT    7    8    6   66   67                                       
CONECT    8    7    9   68   69                                       
CONECT    9    8   10   70   71                                       
CONECT   10   11    9   72   73                                       
CONECT   11   10   12   74   75                                       
CONECT   12   11   13   76   77                                       
CONECT   13   12   14   78   79                                       
CONECT   14   13   15   80   81                                       
CONECT   15   14   16   82   83                                       
CONECT   16   15   17   84   85                                       
CONECT   17   16   18   86   87                                       
CONECT   18   17   19   88   89                                       
CONECT   19   18   20   90   91                                       
CONECT   20   19   21   92   93                                       
CONECT   21   20   22   94   95                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25                                                 
CONECT   25   24   26   96   97                                       
CONECT   26   25   27   36   98                                       
CONECT   27   28   26   99  100                                       
CONECT   28   29   27                                                 
CONECT   29   34   28   30  101                                       
CONECT   30   29    2                                                 
CONECT   31    3  102                                                 
CONECT   32    1  103                                                 
CONECT   33    4  104                                                 
CONECT   34   35    4   29  105                                       
CONECT   35   34  106                                                 
CONECT   36   26   37                                                 
CONECT   37   39   36   38   38                                       
CONECT   38   37   37                                                 
CONECT   39   40   37  107  108                                       
CONECT   40   41   39  109  110                                       
CONECT   41   42   40  111  112                                       
CONECT   42   43   41  113  114                                       
CONECT   43   44   42  115  116                                       
CONECT   44   45   43  117  118                                       
CONECT   45   46   44  119  120                                       
CONECT   46   45   47   47  121                                       
CONECT   47   48   46   46  122                                       
CONECT   48   47   49  123  124                                       
CONECT   49   48   50  125  126                                       
CONECT   50   49   51  127  128                                       
CONECT   51   50   52  129  130                                       
CONECT   52   51   53  131  132                                       
CONECT   53   52   54  133  134                                       
CONECT   54   53   55  135  136                                       
CONECT   55   54  137  138  139                                       
CONECT   56    1                                                      
CONECT   57    2                                                      
CONECT   58    3                                                      
CONECT   59    3                                                      
CONECT   60    4                                                      
CONECT   61    5                                                      
CONECT   62    5                                                      
CONECT   63    5                                                      
CONECT   64    6                                                      
CONECT   65    6                                                      
CONECT   66    7                                                      
CONECT   67    7                                                      
CONECT   68    8                                                      
CONECT   69    8                                                      
CONECT   70    9                                                      
CONECT   71    9                                                      
CONECT   72   10                                                      
CONECT   73   10                                                      
CONECT   74   11                                                      
CONECT   75   11                                                      
CONECT   76   12                                                      
CONECT   77   12                                                      
CONECT   78   13                                                      
CONECT   79   13                                                      
CONECT   80   14                                                      
CONECT   81   14                                                      
CONECT   82   15                                                      
CONECT   83   15                                                      
CONECT   84   16                                                      
CONECT   85   16                                                      
CONECT   86   17                                                      
CONECT   87   17                                                      
CONECT   88   18                                                      
CONECT   89   18                                                      
CONECT   90   19                                                      
CONECT   91   19                                                      
CONECT   92   20                                                      
CONECT   93   20                                                      
CONECT   94   21                                                      
CONECT   95   21                                                      
CONECT   96   25                                                      
CONECT   97   25                                                      
CONECT   98   26                                                      
CONECT   99   27                                                      
CONECT  100   27                                                      
CONECT  101   29                                                      
CONECT  102   31                                                      
CONECT  103   32                                                      
CONECT  104   33                                                      
CONECT  105   34                                                      
CONECT  106   35                                                      
CONECT  107   39                                                      
CONECT  108   39                                                      
CONECT  109   40                                                      
CONECT  110   40                                                      
CONECT  111   41                                                      
CONECT  112   41                                                      
CONECT  113   42                                                      
CONECT  114   42                                                      
CONECT  115   43                                                      
CONECT  116   43                                                      
CONECT  117   44                                                      
CONECT  118   44                                                      
CONECT  119   45                                                      
CONECT  120   45                                                      
CONECT  121   46                                                      
CONECT  122   47                                                      
CONECT  123   48                                                      
CONECT  124   48                                                      
CONECT  125   49                                                      
CONECT  126   49                                                      
CONECT  127   50                                                      
CONECT  128   50                                                      
CONECT  129   51                                                      
CONECT  130   51                                                      
CONECT  131   52                                                      
CONECT  132   52                                                      
CONECT  133   53                                                      
CONECT  134   53                                                      
CONECT  135   54                                                      
CONECT  136   54                                                      
CONECT  137   55                                                      
CONECT  138   55                                                      
CONECT  139   55                                                      
MASTER        0    0    0    0    0    0    0    0  139    0  139    0
END
