COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -11.205  -5.258   2.444  1.00  0.00           C  
HETATM    2  N   UNL     1     -10.717  -3.528   0.814  1.00  0.00           N  
HETATM    3  O   UNL     1     -10.903  -6.300   3.236  1.00  0.00           O  
HETATM    4  N   UNL     1     -17.774   2.991   0.514  1.00  0.00           N  
HETATM    5  C   UNL     1     -18.901   3.413  -0.023  1.00  0.00           C  
HETATM    6  N   UNL     1     -19.963   3.687   0.817  1.00  0.00           N  
HETATM    7  N   UNL     1     -19.069   3.591  -1.330  1.00  0.00           N  
HETATM    8  C   UNL     1     -18.090   3.346  -2.189  1.00  0.00           C  
HETATM    9  N   UNL     1     -18.267   3.531  -3.543  1.00  0.00           N  
HETATM   10  N   UNL     1     -15.774   2.602  -2.432  1.00  0.00           N  
HETATM   11  C   UNL     1     -14.649   2.181  -1.893  1.00  0.00           C  
HETATM   12  C   UNL     1     -14.541   2.016  -0.512  1.00  0.00           C  
HETATM   13  N   UNL     1     -15.559   2.279   0.279  1.00  0.00           N  
HETATM   14  C   UNL     1     -13.468   1.872  -2.776  1.00  0.00           C  
HETATM   15  CA  UNL     1     -10.140  -4.638   1.577  1.00  0.00           C  
HETATM   16  C   UNL     1      -9.005  -4.115   2.460  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.750  -3.082   2.444  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.869  -3.598   1.575  1.00  0.00           C  
HETATM   19  N   UNL     1     -13.580   0.501  -3.280  1.00  0.00           N  
HETATM   20  C   UNL     1     -16.813   2.874  -1.650  1.00  0.00           C  
HETATM   21  C   UNL     1     -16.708   2.709  -0.246  1.00  0.00           C  
HETATM   22  C   UNL     1     -14.279   0.238  -4.540  1.00  0.00           C  
HETATM   23  C   UNL     1      14.258  -0.275  -4.529  1.00  0.00           C  
HETATM   24  N   UNL     1      20.005  -3.670   0.801  1.00  0.00           N  
HETATM   25  N   UNL     1      18.268  -3.540  -3.544  1.00  0.00           N  
HETATM   26  O   UNL     1       6.837   3.145   3.640  1.00  0.00           O  
HETATM   27  O   UNL     1      10.889   6.317   3.207  1.00  0.00           O  
HETATM   28  O   UNL     1     -11.434  -4.905  -0.774  1.00  0.00           O  
HETATM   29  O   UNL     1      11.425   4.896  -0.792  1.00  0.00           O  
HETATM   30  OXT UNL     1      12.317   4.831   2.410  1.00  0.00           O  
HETATM   31  C   UNL     1     -11.825  -1.342  -0.640  1.00  0.00           C  
HETATM   32  C   UNL     1     -12.579  -2.897  -2.333  1.00  0.00           C  
HETATM   33  C   UNL     1      12.572   2.877  -2.336  1.00  0.00           C  
HETATM   34  C   UNL     1      11.817   1.333  -0.632  1.00  0.00           C  
HETATM   35  C   UNL     1     -12.368  -0.301  -1.359  1.00  0.00           C  
HETATM   36  C   UNL     1     -13.130  -1.854  -3.041  1.00  0.00           C  
HETATM   37  C   UNL     1      13.119   1.828  -3.039  1.00  0.00           C  
HETATM   38  C   UNL     1      12.370   0.289  -1.338  1.00  0.00           C  
HETATM   39  C   UNL     1      14.568  -2.013  -0.487  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.007   0.007   2.720  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.142  -0.516   1.838  1.00  0.00           C  
HETATM   42  C   UNL     1       1.130   0.524   1.836  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.279  -1.033   2.722  1.00  0.00           C  
HETATM   44  C   UNL     1       2.265   1.048   2.718  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.414  -1.556   1.840  1.00  0.00           C  
HETATM   46  C   UNL     1       3.401   1.565   1.834  1.00  0.00           C  
HETATM   47  C   UNL     1      -4.550  -2.073   2.724  1.00  0.00           C  
HETATM   48  C   UNL     1       4.536   2.088   2.716  1.00  0.00           C  
HETATM   49  C   UNL     1       7.856   3.604   1.561  1.00  0.00           C  
HETATM   50  C   UNL     1       8.991   4.127   2.443  1.00  0.00           C  
HETATM   51  C   UNL     1      13.471  -1.894  -2.740  1.00  0.00           C  
HETATM   52  N   UNL     1      15.594  -2.270   0.297  1.00  0.00           N  
HETATM   53  N   UNL     1      19.091  -3.587  -1.338  1.00  0.00           N  
HETATM   54  N   UNL     1      17.812  -2.977   0.515  1.00  0.00           N  
HETATM   55  N   UNL     1      15.782  -2.614  -2.414  1.00  0.00           N  
HETATM   56  N   UNL     1       5.624   2.583   1.869  1.00  0.00           N  
HETATM   57  N   UNL     1      10.706   3.529   0.805  1.00  0.00           N  
HETATM   58  C   UNL     1       6.737   3.095   2.432  1.00  0.00           C  
HETATM   59  C   UNL     1      11.192   5.271   2.423  1.00  0.00           C  
HETATM   60  C   UNL     1     -11.346  -3.768  -0.353  1.00  0.00           C  
HETATM   61  C   UNL     1      11.336   3.761  -0.364  1.00  0.00           C  
HETATM   62  C   UNL     1      18.934  -3.402  -0.030  1.00  0.00           C  
HETATM   63  C   UNL     1      18.103  -3.348  -2.189  1.00  0.00           C  
HETATM   64  C   UNL     1      14.662  -2.190  -1.867  1.00  0.00           C  
HETATM   65  C   UNL     1     -11.927  -2.650  -1.121  1.00  0.00           C  
HETATM   66  C   UNL     1      11.918   2.638  -1.123  1.00  0.00           C  
HETATM   67  C   UNL     1     -13.022  -0.552  -2.562  1.00  0.00           C  
HETATM   68  C   UNL     1      13.021   0.530  -2.545  1.00  0.00           C  
HETATM   69  C   UNL     1      16.739  -2.702  -0.237  1.00  0.00           C  
HETATM   70  C   UNL     1      16.831  -2.875  -1.641  1.00  0.00           C  
HETATM   71  CA  UNL     1      10.128   4.644   1.559  1.00  0.00           C  
HETATM   72  N   UNL     1      13.573  -0.527  -3.259  1.00  0.00           N  
HETATM   73  O   UNL     1      -6.852  -3.124   3.652  1.00  0.00           O  
HETATM   74  N   UNL     1      -5.637  -2.574   1.879  1.00  0.00           N  
HETATM   75  OXT UNL     1     -12.332  -4.822   2.423  1.00  0.00           O  
HETATM   76  H   UNL     1     -10.646  -2.621   1.150  1.00  0.00           H  
HETATM   77  H   UNL     1     -11.620  -6.664   3.774  1.00  0.00           H  
HETATM   78  H   UNL     1     -19.868   3.567   1.774  1.00  0.00           H  
HETATM   79  H   UNL     1     -20.805   4.000   0.448  1.00  0.00           H  
HETATM   80  H   UNL     1     -19.120   3.845  -3.882  1.00  0.00           H  
HETATM   81  H   UNL     1     -17.539   3.347  -4.157  1.00  0.00           H  
HETATM   82  H   UNL     1     -13.610   1.669  -0.088  1.00  0.00           H  
HETATM   83  H   UNL     1     -13.450   2.567  -3.616  1.00  0.00           H  
HETATM   84  H   UNL     1     -12.548   1.974  -2.201  1.00  0.00           H  
HETATM   85  HA  UNL     1      -9.750  -5.387   0.889  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.376  -3.303   3.086  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.635  -4.922   3.092  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.497  -4.409   0.949  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.239  -2.790   0.943  1.00  0.00           H  
HETATM   90  H   UNL     1     -13.571   0.289  -5.366  1.00  0.00           H  
HETATM   91  H   UNL     1     -14.727  -0.755  -4.506  1.00  0.00           H  
HETATM   92  H   UNL     1     -15.061   0.984  -4.684  1.00  0.00           H  
HETATM   93  H   UNL     1      13.540  -0.337  -5.347  1.00  0.00           H  
HETATM   94  H   UNL     1      14.703   0.719  -4.510  1.00  0.00           H  
HETATM   95  H   UNL     1      15.040  -1.021  -4.674  1.00  0.00           H  
HETATM   96  H   UNL     1      20.843  -3.984   0.426  1.00  0.00           H  
HETATM   97  H   UNL     1      19.919  -3.544   1.759  1.00  0.00           H  
HETATM   98  H   UNL     1      19.118  -3.855  -3.889  1.00  0.00           H  
HETATM   99  H   UNL     1      17.534  -3.361  -4.152  1.00  0.00           H  
HETATM  100  H   UNL     1      11.604   6.686   3.744  1.00  0.00           H  
HETATM  101  H   UNL     1     -11.318  -1.147   0.294  1.00  0.00           H  
HETATM  102  H   UNL     1     -12.659  -3.907  -2.707  1.00  0.00           H  
HETATM  103  H   UNL     1      12.652   3.884  -2.717  1.00  0.00           H  
HETATM  104  H   UNL     1      11.312   1.146   0.304  1.00  0.00           H  
HETATM  105  H   UNL     1     -12.286   0.710  -0.989  1.00  0.00           H  
HETATM  106  H   UNL     1     -13.634  -2.044  -3.977  1.00  0.00           H  
HETATM  107  H   UNL     1      13.624   2.012  -3.976  1.00  0.00           H  
HETATM  108  H   UNL     1      12.300  -0.718  -0.955  1.00  0.00           H  
HETATM  109  H   UNL     1      13.642  -1.664  -0.056  1.00  0.00           H  
HETATM  110  H   UNL     1      -0.378   0.818   3.346  1.00  0.00           H  
HETATM  111  H   UNL     1       0.363  -0.800   3.352  1.00  0.00           H  
HETATM  112  H   UNL     1      -1.512   0.291   1.205  1.00  0.00           H  
HETATM  113  H   UNL     1      -0.771  -1.327   1.211  1.00  0.00           H  
HETATM  114  H   UNL     1       1.500  -0.287   1.209  1.00  0.00           H  
HETATM  115  H   UNL     1       0.759   1.331   1.203  1.00  0.00           H  
HETATM  116  H   UNL     1      -1.908  -1.840   3.354  1.00  0.00           H  
HETATM  117  H   UNL     1      -2.649  -0.222   3.348  1.00  0.00           H  
HETATM  118  H   UNL     1       1.894   1.859   3.344  1.00  0.00           H  
HETATM  119  H   UNL     1       2.635   0.241   3.350  1.00  0.00           H  
HETATM  120  H   UNL     1      -3.784  -0.749   1.207  1.00  0.00           H  
HETATM  121  H   UNL     1      -3.043  -2.368   1.214  1.00  0.00           H  
HETATM  122  H   UNL     1       3.772   0.753   1.207  1.00  0.00           H  
HETATM  123  H   UNL     1       3.031   2.372   1.201  1.00  0.00           H  
HETATM  124  H   UNL     1      -4.180  -2.880   3.356  1.00  0.00           H  
HETATM  125  H   UNL     1      -4.921  -1.262   3.350  1.00  0.00           H  
HETATM  126  H   UNL     1       4.165   2.899   3.342  1.00  0.00           H  
HETATM  127  H   UNL     1       7.486   4.411   0.929  1.00  0.00           H  
HETATM  128  H   UNL     1       8.227   2.793   0.935  1.00  0.00           H  
HETATM  129  H   UNL     1       8.620   4.938   3.070  1.00  0.00           H  
HETATM  130  H   UNL     1       9.362   3.320   3.076  1.00  0.00           H  
HETATM  131  H   UNL     1      13.446  -2.597  -3.572  1.00  0.00           H  
HETATM  132  H   UNL     1      12.557  -1.992  -2.154  1.00  0.00           H  
HETATM  133  H   UNL     1      10.635   2.624   1.146  1.00  0.00           H  
HETATM  134  HA  UNL     1       9.738   5.389   0.865  1.00  0.00           H  
HETATM  135  H   UNL     1      -5.556  -2.541   0.913  1.00  0.00           H  
HETATM  136  H   UNL     1       4.906   1.281   3.348  1.00  0.00           H  
HETATM  137  H   UNL     1       5.544   2.543   0.903  1.00  0.00           H  
CONECT    1    3   15   75   75                                       
CONECT    2   76   15   60                                            
CONECT    3    1   77                                                 
CONECT    4    5   21   21                                            
CONECT    5    4    6    7    7                                       
CONECT    6    5   78   79                                            
CONECT    7    5    5    8                                            
CONECT    8    7    9   20   20                                       
CONECT    9    8   80   81                                            
CONECT   10   20   11   11                                            
CONECT   11   10   10   12   14                                       
CONECT   12   11   13   13   82                                       
CONECT   13   12   12   21                                            
CONECT   14   11   83   84   19                                       
CONECT   15    1    2   85   16                                       
CONECT   16   15   86   87   18                                       
CONECT   17   18   73   73   74                                       
CONECT   18   17   16   88   89                                       
CONECT   19   14   22   67                                            
CONECT   20   10    8    8   21                                       
CONECT   21   13    4    4   20                                       
CONECT   22   19   90   91   92                                       
CONECT   23   93   94   95   72                                       
CONECT   24   62   96   97                                            
CONECT   25   63   98   99                                            
CONECT   26   58   58                                                 
CONECT   27   59  100                                                 
CONECT   28   60   60                                                 
CONECT   29   61   61                                                 
CONECT   30   59   59                                                 
CONECT   31   35  101   65   65                                       
CONECT   32   65   36   36  102                                       
CONECT   33   66  103   37   37                                       
CONECT   34  104   38   66   66                                       
CONECT   35   31  105   67   67                                       
CONECT   36   32   32   67  106                                       
CONECT   37   33   33   68  107                                       
CONECT   38   34  108   68   68                                       
CONECT   39  109   52   64   64                                       
CONECT   40   41  110  111   42                                       
CONECT   41   40   43  112  113                                       
CONECT   42   40  114  115   44                                       
CONECT   43   41   45  116  117                                       
CONECT   44   42  118  119   46                                       
CONECT   45   43   47  120  121                                       
CONECT   46   44   48  122  123                                       
CONECT   47   45   74  124  125                                       
CONECT   48   46  126   56  136                                       
CONECT   49   58  127  128   50                                       
CONECT   50   49  129  130   71                                       
CONECT   51   64   72  131  132                                       
CONECT   52   39   69   69                                            
CONECT   53   62   63   63                                            
CONECT   54   69   62   62                                            
CONECT   55   64   70   70                                            
CONECT   56   48   58  137                                            
CONECT   57   61  133   71                                            
CONECT   58   26   26   49   56                                       
CONECT   59   27   30   30   71                                       
CONECT   60   28   28    2   65                                       
CONECT   61   57   29   29   66                                       
CONECT   62   24   53   54   54                                       
CONECT   63   25   53   53   70                                       
CONECT   64   51   55   39   39                                       
CONECT   65   32   60   31   31                                       
CONECT   66   33   34   34   61                                       
CONECT   67   36   19   35   35                                       
CONECT   68   37   38   38   72                                       
CONECT   69   54   52   52   70                                       
CONECT   70   63   55   55   69                                       
CONECT   71   59   50   57  134                                       
CONECT   72   51   23   68                                            
CONECT   73   17   17                                                 
CONECT   74   47   17  135                                            
CONECT   75    1    1                                                 
CONECT   76    2                                                      
CONECT   77    3                                                      
CONECT   78    6                                                      
CONECT   79    6                                                      
CONECT   80    9                                                      
CONECT   81    9                                                      
CONECT   82   12                                                      
CONECT   83   14                                                      
CONECT   84   14                                                      
CONECT   85   15                                                      
CONECT   86   16                                                      
CONECT   87   16                                                      
CONECT   88   18                                                      
CONECT   89   18                                                      
CONECT   90   22                                                      
CONECT   91   22                                                      
CONECT   92   22                                                      
CONECT   93   23                                                      
CONECT   94   23                                                      
CONECT   95   23                                                      
CONECT   96   24                                                      
CONECT   97   24                                                      
CONECT   98   25                                                      
CONECT   99   25                                                      
CONECT  100   27                                                      
CONECT  101   31                                                      
CONECT  102   32                                                      
CONECT  103   33                                                      
CONECT  104   34                                                      
CONECT  105   35                                                      
CONECT  106   36                                                      
CONECT  107   37                                                      
CONECT  108   38                                                      
CONECT  109   39                                                      
CONECT  110   40                                                      
CONECT  111   40                                                      
CONECT  112   41                                                      
CONECT  113   41                                                      
CONECT  114   42                                                      
CONECT  115   42                                                      
CONECT  116   43                                                      
CONECT  117   43                                                      
CONECT  118   44                                                      
CONECT  119   44                                                      
CONECT  120   45                                                      
CONECT  121   45                                                      
CONECT  122   46                                                      
CONECT  123   46                                                      
CONECT  124   47                                                      
CONECT  125   47                                                      
CONECT  126   48                                                      
CONECT  127   49                                                      
CONECT  128   49                                                      
CONECT  129   50                                                      
CONECT  130   50                                                      
CONECT  131   51                                                      
CONECT  132   51                                                      
CONECT  133   57                                                      
CONECT  134   71                                                      
CONECT  135   74                                                      
CONECT  136   48                                                      
CONECT  137   56                                                      
MASTER        0    0    0    0    0    0    0    0  137    0  137    0
END
