COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.951  -5.073  -1.251  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.959  -3.938  -1.262  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.561  -4.479  -0.956  1.00  0.00           C  
HETATM    4  C   UNL     1       5.255  -2.106  -0.376  1.00  0.00           C  
HETATM    5  C   UNL     1       6.653  -2.647  -0.070  1.00  0.00           C  
HETATM    6  C   UNL     1       7.659  -1.495  -0.081  1.00  0.00           C  
HETATM    7  C   UNL     1       9.057  -2.037   0.225  1.00  0.00           C  
HETATM    8  C   UNL     1      10.064  -0.885   0.214  1.00  0.00           C  
HETATM    9  C   UNL     1      11.462  -1.426   0.520  1.00  0.00           C  
HETATM   10  C   UNL     1      12.469  -0.274   0.509  1.00  0.00           C  
HETATM   11  C   UNL     1      13.867  -0.815   0.815  1.00  0.00           C  
HETATM   12  C   UNL     1      14.873   0.337   0.804  1.00  0.00           C  
HETATM   13  C   UNL     1      16.271  -0.205   1.110  1.00  0.00           C  
HETATM   14  C   UNL     1       0.445  -3.327  -0.967  1.00  0.00           C  
HETATM   15  CA  UNL     1      -5.220  -5.933  -1.475  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.612  -5.387  -1.151  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.991  -4.283   0.589  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.568  -3.210   2.105  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.576  -2.644   3.526  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.637  -0.908   4.887  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.677   0.283   4.842  1.00  0.00           C  
HETATM   22  C   UNL     1       1.843  -3.869  -0.661  1.00  0.00           C  
HETATM   23  C   UNL     1       2.850  -2.717  -0.672  1.00  0.00           C  
HETATM   24  C   UNL     1       4.248  -3.258  -0.366  1.00  0.00           C  
HETATM   25  C   UNL     1      17.278   0.947   1.099  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.576  -6.203  -1.021  1.00  0.00           O  
HETATM   27  N   UNL     1      -4.255  -4.830  -1.491  1.00  0.00           N  
HETATM   28  C   UNL     1      -6.620  -4.821   0.270  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.243  -6.600  -2.826  1.00  0.00           C  
HETATM   30  OXT UNL     1      -6.060  -7.642  -3.046  1.00  0.00           O  
HETATM   31  O   UNL     1      -4.528  -6.196  -3.712  1.00  0.00           O  
HETATM   32  N   UNL     1      -8.235  -3.732   1.795  1.00  0.00           N  
HETATM   33  O   UNL     1      -8.875  -4.347  -0.239  1.00  0.00           O  
HETATM   34  O   UNL     1      -8.703  -1.515   3.595  1.00  0.00           O  
HETATM   35  O   UNL     1      -8.208   1.290   3.978  1.00  0.00           O  
HETATM   36  C   UNL     1      -7.384   2.452   3.866  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.036   3.442   2.936  1.00  0.00           C  
HETATM   38  O   UNL     1      -9.102   3.179   2.420  1.00  0.00           O  
HETATM   39  N   UNL     1      -7.436   4.621   2.677  1.00  0.00           N  
HETATM   40  C   UNL     1      -8.070   5.583   1.773  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.188   6.828   1.653  1.00  0.00           C  
HETATM   42  O   UNL     1      -5.953   6.477   1.026  1.00  0.00           O  
HETATM   43  C   UNL     1      -5.051   7.574   0.864  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.770   7.085   0.186  1.00  0.00           C  
HETATM   45  O   UNL     1      -4.070   6.645  -1.140  1.00  0.00           O  
HETATM   46  C   UNL     1      -2.936   6.166  -1.864  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.367   5.730  -3.241  1.00  0.00           C  
HETATM   48  O   UNL     1      -4.531   5.821  -3.569  1.00  0.00           O  
HETATM   49  N   UNL     1      -2.458   5.239  -4.108  1.00  0.00           N  
HETATM   50  C   UNL     1      18.676   0.406   1.405  1.00  0.00           C  
HETATM   51  C   UNL     1      19.667   1.541   1.395  1.00  0.00           C  
HETATM   52  O   UNL     1      19.294   2.667   1.166  1.00  0.00           O  
HETATM   53  O   UNL     1      20.965   1.300   1.639  1.00  0.00           O  
HETATM   54  C   UNL     1      -1.053   5.129  -3.711  1.00  0.00           C  
HETATM   55  C   UNL     1      -2.877   4.816  -5.446  1.00  0.00           C  
HETATM   56  C   UNL     1      -0.808   3.759  -3.075  1.00  0.00           C  
HETATM   57  C   UNL     1      -2.779   6.000  -6.410  1.00  0.00           C  
HETATM   58  H   UNL     1      -1.959  -3.465  -2.244  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.238  -3.204  -0.505  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.562  -4.952   0.026  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.282  -5.213  -1.712  1.00  0.00           H  
HETATM   62  H   UNL     1       4.976  -1.372   0.380  1.00  0.00           H  
HETATM   63  H   UNL     1       5.255  -1.633  -1.359  1.00  0.00           H  
HETATM   64  H   UNL     1       6.652  -3.120   0.912  1.00  0.00           H  
HETATM   65  H   UNL     1       6.932  -3.381  -0.827  1.00  0.00           H  
HETATM   66  H   UNL     1       7.660  -1.022  -1.063  1.00  0.00           H  
HETATM   67  H   UNL     1       7.380  -0.762   0.675  1.00  0.00           H  
HETATM   68  H   UNL     1       9.057  -2.510   1.207  1.00  0.00           H  
HETATM   69  H   UNL     1       9.336  -2.770  -0.532  1.00  0.00           H  
HETATM   70  H   UNL     1      10.064  -0.412  -0.768  1.00  0.00           H  
HETATM   71  H   UNL     1       9.785  -0.151   0.970  1.00  0.00           H  
HETATM   72  H   UNL     1      11.462  -1.899   1.502  1.00  0.00           H  
HETATM   73  H   UNL     1      11.741  -2.160  -0.236  1.00  0.00           H  
HETATM   74  H   UNL     1      12.469   0.199  -0.473  1.00  0.00           H  
HETATM   75  H   UNL     1      12.189   0.460   1.265  1.00  0.00           H  
HETATM   76  H   UNL     1      13.866  -1.288   1.797  1.00  0.00           H  
HETATM   77  H   UNL     1      14.146  -1.549   0.059  1.00  0.00           H  
HETATM   78  H   UNL     1      14.874   0.810  -0.178  1.00  0.00           H  
HETATM   79  H   UNL     1      14.594   1.070   1.561  1.00  0.00           H  
HETATM   80  H   UNL     1      16.271  -0.678   2.092  1.00  0.00           H  
HETATM   81  H   UNL     1      16.550  -0.938   0.354  1.00  0.00           H  
HETATM   82  H   UNL     1       0.446  -2.854  -1.949  1.00  0.00           H  
HETATM   83  H   UNL     1       0.166  -2.594  -0.210  1.00  0.00           H  
HETATM   84  HA  UNL     1      -4.929  -6.659  -0.716  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.866  -4.597  -1.858  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.344  -6.191  -1.226  1.00  0.00           H  
HETATM   87  H   UNL     1     -10.300  -4.014   2.030  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.823  -2.420   1.398  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.588  -2.336   3.789  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.236  -3.409   4.224  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.277  -1.638   5.613  1.00  0.00           H  
HETATM   92  H   UNL     1      -9.629  -0.565   5.178  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.558   0.691   5.846  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.708  -0.045   4.466  1.00  0.00           H  
HETATM   95  H   UNL     1       1.843  -4.341   0.321  1.00  0.00           H  
HETATM   96  H   UNL     1       2.122  -4.602  -1.417  1.00  0.00           H  
HETATM   97  H   UNL     1       2.850  -2.244  -1.654  1.00  0.00           H  
HETATM   98  H   UNL     1       2.571  -1.983   0.085  1.00  0.00           H  
HETATM   99  H   UNL     1       4.527  -3.991  -1.122  1.00  0.00           H  
HETATM  100  H   UNL     1       4.247  -3.731   0.617  1.00  0.00           H  
HETATM  101  H   UNL     1      17.278   1.420   0.117  1.00  0.00           H  
HETATM  102  H   UNL     1      16.999   1.681   1.856  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.554  -3.926  -1.675  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.366  -5.611   0.977  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.888  -4.017   0.345  1.00  0.00           H  
HETATM  106  HXT UNL     1      -6.040  -8.037  -3.928  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.528  -3.682   2.457  1.00  0.00           H  
HETATM  108  H   UNL     1      -7.259   2.905   4.849  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.409   2.169   3.470  1.00  0.00           H  
HETATM  110  H   UNL     1      -6.583   4.832   3.090  1.00  0.00           H  
HETATM  111  H   UNL     1      -8.195   5.130   0.790  1.00  0.00           H  
HETATM  112  H   UNL     1      -9.045   5.866   2.170  1.00  0.00           H  
HETATM  113  H   UNL     1      -7.700   7.579   1.052  1.00  0.00           H  
HETATM  114  H   UNL     1      -6.990   7.230   2.646  1.00  0.00           H  
HETATM  115  H   UNL     1      -5.519   8.341   0.247  1.00  0.00           H  
HETATM  116  H   UNL     1      -4.808   7.992   1.841  1.00  0.00           H  
HETATM  117  H   UNL     1      -3.048   7.901   0.143  1.00  0.00           H  
HETATM  118  H   UNL     1      -3.349   6.257   0.757  1.00  0.00           H  
HETATM  119  H   UNL     1      -2.197   6.962  -1.950  1.00  0.00           H  
HETATM  120  H   UNL     1      -2.498   5.319  -1.336  1.00  0.00           H  
HETATM  121  H   UNL     1      18.675  -0.067   2.387  1.00  0.00           H  
HETATM  122  H   UNL     1      18.955  -0.328   0.649  1.00  0.00           H  
HETATM  123  H   UNL     1      21.563   2.060   1.622  1.00  0.00           H  
HETATM  124  H   UNL     1      -0.417   5.241  -4.590  1.00  0.00           H  
HETATM  125  H   UNL     1      -0.816   5.912  -2.990  1.00  0.00           H  
HETATM  126  H   UNL     1      -2.229   4.011  -5.792  1.00  0.00           H  
HETATM  127  H   UNL     1      -3.908   4.462  -5.409  1.00  0.00           H  
HETATM  128  H   UNL     1      -1.443   3.648  -2.196  1.00  0.00           H  
HETATM  129  H   UNL     1      -1.044   2.977  -3.796  1.00  0.00           H  
HETATM  130  H   UNL     1       0.238   3.678  -2.780  1.00  0.00           H  
HETATM  131  H   UNL     1      -3.427   6.805  -6.064  1.00  0.00           H  
HETATM  132  H   UNL     1      -1.748   6.354  -6.446  1.00  0.00           H  
HETATM  133  H   UNL     1      -3.090   5.685  -7.406  1.00  0.00           H  
CONECT    1    2   27   26   26                                       
CONECT    2    3    1   58   59                                       
CONECT    3   14    2   60   61                                       
CONECT    4   24    5   62   63                                       
CONECT    5    6    4   64   65                                       
CONECT    6    7    5   66   67                                       
CONECT    7    8    6   68   69                                       
CONECT    8    9    7   70   71                                       
CONECT    9   10    8   72   73                                       
CONECT   10   11    9   74   75                                       
CONECT   11   12   10   76   77                                       
CONECT   12   13   11   78   79                                       
CONECT   13   25   12   80   81                                       
CONECT   14   22    3   82   83                                       
CONECT   15   29   27   16   84                                       
CONECT   16   15   28   85   86                                       
CONECT   17   28   33   33   32                                       
CONECT   18   32   19   87   88                                       
CONECT   19   18   34   89   90                                       
CONECT   20   34   21   91   92                                       
CONECT   21   20   35   93   94                                       
CONECT   22   23   14   95   96                                       
CONECT   23   24   22   97   98                                       
CONECT   24   23    4   99  100                                       
CONECT   25   50   13  101  102                                       
CONECT   26    1    1                                                 
CONECT   27   15    1  103                                            
CONECT   28   16   17  104  105                                       
CONECT   29   31   31   30   15                                       
CONECT   30   29  106                                                 
CONECT   31   29   29                                                 
CONECT   32   17   18  107                                            
CONECT   33   17   17                                                 
CONECT   34   19   20                                                 
CONECT   35   21   36                                                 
CONECT   36   35   37  108  109                                       
CONECT   37   39   36   38   38                                       
CONECT   38   37   37                                                 
CONECT   39   40   37  110                                            
CONECT   40   41   39  111  112                                       
CONECT   41   42   40  113  114                                       
CONECT   42   43   41                                                 
CONECT   43   44   42  115  116                                       
CONECT   44   45   43  117  118                                       
CONECT   45   46   44                                                 
CONECT   46   47   45  119  120                                       
CONECT   47   49   48   48   46                                       
CONECT   48   47   47                                                 
CONECT   49   54   55   47                                            
CONECT   50   51   25  121  122                                       
CONECT   51   52   52   53   50                                       
CONECT   52   51   51                                                 
CONECT   53   51  123                                                 
CONECT   54   49   56  124  125                                       
CONECT   55   57   49  126  127                                       
CONECT   56   54  128  129  130                                       
CONECT   57   55  131  132  133                                       
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   12                                                      
CONECT   80   13                                                      
CONECT   81   13                                                      
CONECT   82   14                                                      
CONECT   83   14                                                      
CONECT   84   15                                                      
CONECT   85   16                                                      
CONECT   86   16                                                      
CONECT   87   18                                                      
CONECT   88   18                                                      
CONECT   89   19                                                      
CONECT   90   19                                                      
CONECT   91   20                                                      
CONECT   92   20                                                      
CONECT   93   21                                                      
CONECT   94   21                                                      
CONECT   95   22                                                      
CONECT   96   22                                                      
CONECT   97   23                                                      
CONECT   98   23                                                      
CONECT   99   24                                                      
CONECT  100   24                                                      
CONECT  101   25                                                      
CONECT  102   25                                                      
CONECT  103   27                                                      
CONECT  104   28                                                      
CONECT  105   28                                                      
CONECT  106   30                                                      
CONECT  107   32                                                      
CONECT  108   36                                                      
CONECT  109   36                                                      
CONECT  110   39                                                      
CONECT  111   40                                                      
CONECT  112   40                                                      
CONECT  113   41                                                      
CONECT  114   41                                                      
CONECT  115   43                                                      
CONECT  116   43                                                      
CONECT  117   44                                                      
CONECT  118   44                                                      
CONECT  119   46                                                      
CONECT  120   46                                                      
CONECT  121   50                                                      
CONECT  122   50                                                      
CONECT  123   53                                                      
CONECT  124   54                                                      
CONECT  125   54                                                      
CONECT  126   55                                                      
CONECT  127   55                                                      
CONECT  128   56                                                      
CONECT  129   56                                                      
CONECT  130   56                                                      
CONECT  131   57                                                      
CONECT  132   57                                                      
CONECT  133   57                                                      
MASTER        0    0    0    0    0    0    0    0  133    0  133    0
END
