COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.735   2.764  -0.881  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.119   1.443  -1.428  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.752   1.323  -0.797  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.145  -0.066  -1.134  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.993  -0.195  -2.649  1.00  0.00           C  
HETATM    6  O   UNL     1      -2.876   2.342  -1.426  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.818   2.760  -0.611  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.702   2.292   0.547  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.867   3.731  -1.087  1.00  0.00           C  
HETATM   10  C   UNL     1       0.081   4.124  -0.297  1.00  0.00           C  
HETATM   11  C   UNL     1       1.081   5.149  -0.678  1.00  0.00           C  
HETATM   12  C   UNL     1       1.417   5.015  -2.114  1.00  0.00           C  
HETATM   13  C   UNL     1       2.408   4.960   0.217  1.00  0.00           C  
HETATM   14  O   UNL     1       2.054   5.166   1.562  1.00  0.00           O  
HETATM   15  C   UNL     1       2.941   3.581   0.057  1.00  0.00           C  
HETATM   16  C   UNL     1       2.431   2.732   1.145  1.00  0.00           C  
HETATM   17  C   UNL     1       4.509   3.717   0.158  1.00  0.00           C  
HETATM   18  O   UNL     1       4.950   4.758   0.715  1.00  0.00           O  
HETATM   19  C   UNL     1       5.446   2.698  -0.259  1.00  0.00           C  
HETATM   20  C   UNL     1       4.779   1.730  -1.212  1.00  0.00           C  
HETATM   21  C   UNL     1       6.091   2.045   0.998  1.00  0.00           C  
HETATM   22  O   UNL     1       5.199   1.867   1.945  1.00  0.00           O  
HETATM   23  C   UNL     1       6.840   0.708   0.653  1.00  0.00           C  
HETATM   24  C   UNL     1       7.721   0.823  -0.543  1.00  0.00           C  
HETATM   25  C   UNL     1       5.942  -0.401   0.594  1.00  0.00           C  
HETATM   26  O   UNL     1       4.707  -0.299   0.851  1.00  0.00           O  
HETATM   27  C   UNL     1       6.434  -1.861   0.389  1.00  0.00           C  
HETATM   28  C   UNL     1       7.341  -2.274   1.481  1.00  0.00           C  
HETATM   29  O   UNL     1       6.984  -1.931  -0.878  1.00  0.00           O  
HETATM   30  C   UNL     1       5.181  -2.795   0.393  1.00  0.00           C  
HETATM   31  O   UNL     1       4.301  -2.324  -0.685  1.00  0.00           O  
HETATM   32  C   UNL     1       5.546  -4.173   0.112  1.00  0.00           C  
HETATM   33  C   UNL     1       5.570  -4.500  -1.417  1.00  0.00           C  
HETATM   34  C   UNL     1       4.530  -5.122   0.846  1.00  0.00           C  
HETATM   35  C   UNL     1       3.306  -5.214   0.009  1.00  0.00           C  
HETATM   36  C   UNL     1       2.155  -4.627   0.421  1.00  0.00           C  
HETATM   37  C   UNL     1       0.883  -4.640  -0.340  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.163  -3.922   0.109  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.442  -3.911  -0.672  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.049  -3.698  -2.139  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.219  -2.420  -2.265  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.270  -2.743  -0.107  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.559  -2.565  -0.946  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.068  -1.134  -0.608  1.00  0.00           C  
HETATM   45  O   UNL     1      -5.342  -0.970  -1.261  1.00  0.00           O  
HETATM   46  C   UNL     1      -5.972   0.244  -0.911  1.00  0.00           C  
HETATM   47  O   UNL     1      -6.203   0.291   0.449  1.00  0.00           O  
HETATM   48  C   UNL     1      -7.383   0.366  -1.606  1.00  0.00           C  
HETATM   49  C   UNL     1      -8.271  -0.851  -1.080  1.00  0.00           C  
HETATM   50  C   UNL     1      -8.296  -0.804   0.436  1.00  0.00           C  
HETATM   51  C   UNL     1      -9.161   0.379   0.932  1.00  0.00           C  
HETATM   52  C   UNL     1      -6.939  -0.784   1.009  1.00  0.00           C  
HETATM   53  C   UNL     1      -7.029  -0.649   2.501  1.00  0.00           C  
HETATM   54  C   UNL     1      -5.631  -0.777   3.110  1.00  0.00           C  
HETATM   55  C   UNL     1      -5.705  -0.516   4.615  1.00  0.00           C  
HETATM   56  O   UNL     1      -5.130  -2.095   2.879  1.00  0.00           O  
HETATM   57  H   UNL     1      -5.726   2.746   0.209  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.149   3.612  -1.235  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.762   2.860  -1.234  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.080   1.480  -2.434  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.732   1.383   0.319  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.156  -0.207  -0.726  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.969  -0.087  -3.122  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.324   0.584  -3.014  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.579  -1.174  -2.891  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.998   4.135  -2.060  1.00  0.00           H  
HETATM   67  H   UNL     1       0.132   3.751   0.758  1.00  0.00           H  
HETATM   68  H   UNL     1       0.708   6.137  -0.456  1.00  0.00           H  
HETATM   69  H   UNL     1       0.516   5.151  -2.713  1.00  0.00           H  
HETATM   70  H   UNL     1       2.152   5.772  -2.387  1.00  0.00           H  
HETATM   71  H   UNL     1       1.831   4.024  -2.299  1.00  0.00           H  
HETATM   72  H   UNL     1       3.141   5.724  -0.093  1.00  0.00           H  
HETATM   73  H   UNL     1       1.692   6.044   1.743  1.00  0.00           H  
HETATM   74  H   UNL     1       2.746   3.178  -0.863  1.00  0.00           H  
HETATM   75  H   UNL     1       1.350   2.626   1.047  1.00  0.00           H  
HETATM   76  H   UNL     1       2.898   1.749   1.088  1.00  0.00           H  
HETATM   77  H   UNL     1       2.666   3.191   2.105  1.00  0.00           H  
HETATM   78  H   UNL     1       6.226   3.229  -0.841  1.00  0.00           H  
HETATM   79  H   UNL     1       4.529   2.247  -2.139  1.00  0.00           H  
HETATM   80  H   UNL     1       5.459   0.906  -1.429  1.00  0.00           H  
HETATM   81  H   UNL     1       3.869   1.340  -0.757  1.00  0.00           H  
HETATM   82  H   UNL     1       6.894   2.774   1.316  1.00  0.00           H  
HETATM   83  H   UNL     1       4.779   2.684   2.249  1.00  0.00           H  
HETATM   84  H   UNL     1       7.532   0.576   1.497  1.00  0.00           H  
HETATM   85  H   UNL     1       8.303   1.743  -0.479  1.00  0.00           H  
HETATM   86  H   UNL     1       8.397  -0.032  -0.580  1.00  0.00           H  
HETATM   87  H   UNL     1       7.109   0.842  -1.444  1.00  0.00           H  
HETATM   88  H   UNL     1       7.650  -3.308   1.326  1.00  0.00           H  
HETATM   89  H   UNL     1       8.220  -1.629   1.488  1.00  0.00           H  
HETATM   90  H   UNL     1       6.822  -2.190   2.436  1.00  0.00           H  
HETATM   91  H   UNL     1       7.845  -1.499  -0.958  1.00  0.00           H  
HETATM   92  H   UNL     1       4.648  -2.671   1.362  1.00  0.00           H  
HETATM   93  H   UNL     1       3.484  -2.834  -0.777  1.00  0.00           H  
HETATM   94  H   UNL     1       6.534  -4.430   0.503  1.00  0.00           H  
HETATM   95  H   UNL     1       4.574  -4.353  -1.836  1.00  0.00           H  
HETATM   96  H   UNL     1       6.276  -3.839  -1.919  1.00  0.00           H  
HETATM   97  H   UNL     1       5.876  -5.536  -1.562  1.00  0.00           H  
HETATM   98  H   UNL     1       4.965  -6.191   0.836  1.00  0.00           H  
HETATM   99  H   UNL     1       4.348  -4.768   1.750  1.00  0.00           H  
HETATM  100  H   UNL     1       3.224  -5.809  -0.886  1.00  0.00           H  
HETATM  101  H   UNL     1       2.154  -4.108   1.382  1.00  0.00           H  
HETATM  102  H   UNL     1       0.921  -5.147  -1.222  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.083  -3.410   1.064  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.018  -4.847  -0.576  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.462  -4.549  -2.486  1.00  0.00           H  
HETATM  106  H   UNL     1      -1.950  -3.608  -2.747  1.00  0.00           H  
HETATM  107  H   UNL     1      -0.010  -2.224  -3.317  1.00  0.00           H  
HETATM  108  H   UNL     1      -0.774  -1.582  -1.843  1.00  0.00           H  
HETATM  109  H   UNL     1       0.720  -2.542  -1.725  1.00  0.00           H  
HETATM  110  H   UNL     1      -2.455  -2.884   0.863  1.00  0.00           H  
HETATM  111  H   UNL     1      -1.662  -1.758  -0.216  1.00  0.00           H  
HETATM  112  H   UNL     1      -3.428  -2.767  -1.953  1.00  0.00           H  
HETATM  113  H   UNL     1      -4.291  -3.321  -0.578  1.00  0.00           H  
HETATM  114  H   UNL     1      -4.156  -1.010   0.455  1.00  0.00           H  
HETATM  115  H   UNL     1      -7.870   1.289  -1.339  1.00  0.00           H  
HETATM  116  H   UNL     1      -7.172   0.224  -2.690  1.00  0.00           H  
HETATM  117  H   UNL     1      -9.227  -0.742  -1.542  1.00  0.00           H  
HETATM  118  H   UNL     1      -7.805  -1.799  -1.509  1.00  0.00           H  
HETATM  119  H   UNL     1      -8.784  -1.749   0.769  1.00  0.00           H  
HETATM  120  H   UNL     1     -10.182   0.261   0.567  1.00  0.00           H  
HETATM  121  H   UNL     1      -9.166   0.394   2.022  1.00  0.00           H  
HETATM  122  H   UNL     1      -8.747   1.315   0.558  1.00  0.00           H  
HETATM  123  H   UNL     1      -6.399  -1.684   0.774  1.00  0.00           H  
HETATM  124  H   UNL     1      -7.448   0.326   2.753  1.00  0.00           H  
HETATM  125  H   UNL     1      -7.672  -1.434   2.898  1.00  0.00           H  
HETATM  126  H   UNL     1      -4.966  -0.048   2.647  1.00  0.00           H  
HETATM  127  H   UNL     1      -6.371  -1.244   5.078  1.00  0.00           H  
HETATM  128  H   UNL     1      -4.710  -0.607   5.049  1.00  0.00           H  
HETATM  129  H   UNL     1      -6.088   0.490   4.792  1.00  0.00           H  
HETATM  130  H   UNL     1      -4.246  -2.248   3.239  1.00  0.00           H  
CONECT    1    2   57   58   59                                       
CONECT    2    3   46    1   60                                       
CONECT    3    4    6    2   61                                       
CONECT    4    5   44    3   62                                       
CONECT    5    4   63   64   65                                       
CONECT    6    7    3                                                 
CONECT    7    9    8    8    6                                       
CONECT    8    7    7                                                 
CONECT    9   10   10    7   66                                       
CONECT   10   11    9    9   67                                       
CONECT   11   13   10   12   68                                       
CONECT   12   11   69   70   71                                       
CONECT   13   15   14   11   72                                       
CONECT   14   13   73                                                 
CONECT   15   17   16   13   74                                       
CONECT   16   15   75   76   77                                       
CONECT   17   19   18   18   15                                       
CONECT   18   17   17                                                 
CONECT   19   20   17   21   78                                       
CONECT   20   19   79   80   81                                       
CONECT   21   19   23   22   82                                       
CONECT   22   21   83                                                 
CONECT   23   25   21   24   84                                       
CONECT   24   23   85   86   87                                       
CONECT   25   27   23   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   28   29   30   25                                       
CONECT   28   27   88   89   90                                       
CONECT   29   27   91                                                 
CONECT   30   32   27   31   92                                       
CONECT   31   30   93                                                 
CONECT   32   33   34   30   94                                       
CONECT   33   32   95   96   97                                       
CONECT   34   32   35   98   99                                       
CONECT   35   34   36   36  100                                       
CONECT   36   35   35   37  101                                       
CONECT   37   36   38   38  102                                       
CONECT   38   37   37   39  103                                       
CONECT   39   38   40   42  104                                       
CONECT   40   39   41  105  106                                       
CONECT   41   40  107  108  109                                       
CONECT   42   39   43  110  111                                       
CONECT   43   42   44  112  113                                       
CONECT   44   43    4   45  114                                       
CONECT   45   44   46                                                 
CONECT   46   45    2   48   47                                       
CONECT   47   46   52                                                 
CONECT   48   46   49  115  116                                       
CONECT   49   48   50  117  118                                       
CONECT   50   52   49   51  119                                       
CONECT   51   50  120  121  122                                       
CONECT   52   47   53   50  123                                       
CONECT   53   54   52  124  125                                       
CONECT   54   56   55   53  126                                       
CONECT   55   54  127  128  129                                       
CONECT   56   54  130                                                 
CONECT   57    1                                                      
CONECT   58    1                                                      
CONECT   59    1                                                      
CONECT   60    2                                                      
CONECT   61    3                                                      
CONECT   62    4                                                      
CONECT   63    5                                                      
CONECT   64    5                                                      
CONECT   65    5                                                      
CONECT   66    9                                                      
CONECT   67   10                                                      
CONECT   68   11                                                      
CONECT   69   12                                                      
CONECT   70   12                                                      
CONECT   71   12                                                      
CONECT   72   13                                                      
CONECT   73   14                                                      
CONECT   74   15                                                      
CONECT   75   16                                                      
CONECT   76   16                                                      
CONECT   77   16                                                      
CONECT   78   19                                                      
CONECT   79   20                                                      
CONECT   80   20                                                      
CONECT   81   20                                                      
CONECT   82   21                                                      
CONECT   83   22                                                      
CONECT   84   23                                                      
CONECT   85   24                                                      
CONECT   86   24                                                      
CONECT   87   24                                                      
CONECT   88   28                                                      
CONECT   89   28                                                      
CONECT   90   28                                                      
CONECT   91   29                                                      
CONECT   92   30                                                      
CONECT   93   31                                                      
CONECT   94   32                                                      
CONECT   95   33                                                      
CONECT   96   33                                                      
CONECT   97   33                                                      
CONECT   98   34                                                      
CONECT   99   34                                                      
CONECT  100   35                                                      
CONECT  101   36                                                      
CONECT  102   37                                                      
CONECT  103   38                                                      
CONECT  104   39                                                      
CONECT  105   40                                                      
CONECT  106   40                                                      
CONECT  107   41                                                      
CONECT  108   41                                                      
CONECT  109   41                                                      
CONECT  110   42                                                      
CONECT  111   42                                                      
CONECT  112   43                                                      
CONECT  113   43                                                      
CONECT  114   44                                                      
CONECT  115   48                                                      
CONECT  116   48                                                      
CONECT  117   49                                                      
CONECT  118   49                                                      
CONECT  119   50                                                      
CONECT  120   51                                                      
CONECT  121   51                                                      
CONECT  122   51                                                      
CONECT  123   52                                                      
CONECT  124   53                                                      
CONECT  125   53                                                      
CONECT  126   54                                                      
CONECT  127   55                                                      
CONECT  128   55                                                      
CONECT  129   55                                                      
CONECT  130   56                                                      
MASTER        0    0    0    0    0    0    0    0  130    0  130    0
END
