COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.617   3.629   0.191  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.519   2.594   0.865  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.923   2.669   0.260  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.000   2.004   2.324  1.00  0.00           C  
HETATM    5  CA  UNL     1      -8.648   1.079   4.553  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.069   1.551   0.199  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.179   0.702  -1.891  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.243  -3.225   0.010  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.503  -5.025  -1.170  1.00  0.00           C  
HETATM   10  N   UNL     1      -7.789   1.675   0.908  1.00  0.00           N  
HETATM   11  C   UNL     1      -8.551   0.779   3.056  1.00  0.00           C  
HETATM   12  N   UNL     1      -7.303   1.313   5.094  1.00  0.00           N  
HETATM   13  C   UNL     1      -9.278  -0.093   5.261  1.00  0.00           C  
HETATM   14  O   UNL     1      -8.590  -0.854   5.899  1.00  0.00           O  
HETATM   15  OXT UNL     1     -10.603  -0.292   5.182  1.00  0.00           O  
HETATM   16  C   UNL     1      -8.866   0.745  -1.085  1.00  0.00           C  
HETATM   17  O   UNL     1      -8.518  -0.612  -0.761  1.00  0.00           O  
HETATM   18  C   UNL     1      -9.104  -1.451  -1.779  1.00  0.00           C  
HETATM   19  C   UNL     1     -10.493  -0.808  -2.024  1.00  0.00           C  
HETATM   20  O   UNL     1     -10.973  -1.115  -3.334  1.00  0.00           O  
HETATM   21  O   UNL     1      -9.994   1.290  -3.180  1.00  0.00           O  
HETATM   22  N   UNL     1      -9.250  -2.826  -1.293  1.00  0.00           N  
HETATM   23  N   UNL     1      -9.392  -4.516   0.080  1.00  0.00           N  
HETATM   24  C   UNL     1      -9.680  -6.315  -1.700  1.00  0.00           C  
HETATM   25  N   UNL     1      -9.771  -7.417  -0.867  1.00  0.00           N  
HETATM   26  N   UNL     1      -9.759  -6.452  -3.019  1.00  0.00           N  
HETATM   27  C   UNL     1      -9.675  -5.407  -3.822  1.00  0.00           C  
HETATM   28  N   UNL     1      -9.501  -4.182  -3.371  1.00  0.00           N  
HETATM   29  C   UNL     1      -9.419  -3.946  -2.066  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.270   3.557   0.771  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.314   4.366  -0.008  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.247   3.477  -0.593  1.00  0.00           C  
HETATM   33  O   UNL     1      -1.272   2.283  -0.385  1.00  0.00           O  
HETATM   34  C   UNL     1      -1.677   5.382   0.963  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.886   4.719   2.350  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.268   4.043   2.168  1.00  0.00           C  
HETATM   37  N   UNL     1      -0.265   4.010  -1.346  1.00  0.00           N  
HETATM   38  C   UNL     1       0.834   3.262  -1.975  1.00  0.00           C  
HETATM   39  C   UNL     1       1.639   2.550  -0.919  1.00  0.00           C  
HETATM   40  O   UNL     1       1.332   2.652   0.250  1.00  0.00           O  
HETATM   41  C   UNL     1       1.723   4.286  -2.711  1.00  0.00           C  
HETATM   42  C   UNL     1       1.393   5.617  -1.986  1.00  0.00           C  
HETATM   43  C   UNL     1      -0.118   5.438  -1.682  1.00  0.00           C  
HETATM   44  N   UNL     1       2.701   1.800  -1.273  1.00  0.00           N  
HETATM   45  C   UNL     1       3.484   1.107  -0.247  1.00  0.00           C  
HETATM   46  C   UNL     1       4.884   0.874  -0.755  1.00  0.00           C  
HETATM   47  O   UNL     1       5.196   1.249  -1.865  1.00  0.00           O  
HETATM   48  C   UNL     1       2.828  -0.236   0.075  1.00  0.00           C  
HETATM   49  C   UNL     1       1.456   0.005   0.707  1.00  0.00           C  
HETATM   50  C   UNL     1       0.799  -1.339   1.030  1.00  0.00           C  
HETATM   51  C   UNL     1      -0.573  -1.098   1.662  1.00  0.00           C  
HETATM   52  N   UNL     1      -1.203  -2.388   1.971  1.00  0.00           N1+
HETATM   53  N   UNL     1       5.788   0.249   0.025  1.00  0.00           N  
HETATM   54  C   UNL     1       7.149   0.022  -0.469  1.00  0.00           C  
HETATM   55  C   UNL     1       7.752  -1.160   0.245  1.00  0.00           C  
HETATM   56  O   UNL     1       7.109  -1.754   1.084  1.00  0.00           O  
HETATM   57  C   UNL     1       8.000   1.265  -0.207  1.00  0.00           C  
HETATM   58  C   UNL     1       7.461   2.436  -1.031  1.00  0.00           C  
HETATM   59  C   UNL     1       8.313   3.680  -0.769  1.00  0.00           C  
HETATM   60  N   UNL     1       7.796   4.801  -1.558  1.00  0.00           N  
HETATM   61  C   UNL     1       8.402   6.025  -1.485  1.00  0.00           C  
HETATM   62  N   UNL     1       9.462   6.198  -0.697  1.00  0.00           N  
HETATM   63  N   UNL     1       7.932   7.044  -2.203  1.00  0.00           N1+
HETATM   64  N   UNL     1       9.006  -1.557  -0.048  1.00  0.00           N  
HETATM   65  C   UNL     1       9.592  -2.706   0.646  1.00  0.00           C  
HETATM   66  C   UNL     1      11.095  -2.588   0.633  1.00  0.00           C  
HETATM   67  O   UNL     1      11.624  -1.638   0.095  1.00  0.00           O  
HETATM   68  C   UNL     1       9.176  -3.997  -0.061  1.00  0.00           C  
HETATM   69  C   UNL     1       9.672  -3.968  -1.508  1.00  0.00           C  
HETATM   70  C   UNL     1       7.650  -4.116  -0.047  1.00  0.00           C  
HETATM   71  C   UNL     1       9.365  -5.308  -2.179  1.00  0.00           C  
HETATM   72  N   UNL     1      11.851  -3.538   1.217  1.00  0.00           N  
HETATM   73  C   UNL     1      13.311  -3.424   1.204  1.00  0.00           C  
HETATM   74  C   UNL     1      13.924  -4.794   1.333  1.00  0.00           C  
HETATM   75  O   UNL     1      13.211  -5.771   1.427  1.00  0.00           O  
HETATM   76  C   UNL     1      13.765  -2.550   2.375  1.00  0.00           C  
HETATM   77  N   UNL     1      15.264  -4.935   1.344  1.00  0.00           N  
HETATM   78  H   UNL     1      -4.563   3.423  -0.878  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.028   4.627   0.348  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.109   1.597   0.708  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.573   2.800   1.934  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.333   3.666   0.418  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.869   2.463  -0.809  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.053   2.300   2.774  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.713   2.825   2.404  1.00  0.00           H  
HETATM   86  HA  UNL     1      -9.261   1.968   4.706  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.790   1.041   0.838  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.444   2.544  -0.050  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.975   1.213  -1.350  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.127  -2.568   0.859  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.541   0.539   2.668  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.884  -0.069   2.898  1.00  0.00           H  
HETATM   93  H1  UNL     1      -7.345   1.577   6.067  1.00  0.00           H  
HETATM   94  H2  UNL     1      -6.715   0.503   4.964  1.00  0.00           H  
HETATM   95  HXT UNL     1     -10.961  -1.057   5.653  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.077   1.198  -1.686  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.504  -1.427  -2.689  1.00  0.00           H  
HETATM   98  H   UNL     1     -11.208  -1.126  -1.265  1.00  0.00           H  
HETATM   99  H   UNL     1     -11.839  -0.735  -3.535  1.00  0.00           H  
HETATM  100  H   UNL     1     -10.789   1.290  -3.730  1.00  0.00           H  
HETATM  101  H   UNL     1      -9.893  -8.302  -1.245  1.00  0.00           H  
HETATM  102  H   UNL     1      -9.711  -7.304   0.095  1.00  0.00           H  
HETATM  103  H   UNL     1      -9.744  -5.563  -4.888  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.838   4.891  -0.807  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.615   5.505   0.750  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.194   6.341   0.912  1.00  0.00           H  
HETATM  107  H   UNL     1      -1.112   3.979   2.549  1.00  0.00           H  
HETATM  108  H   UNL     1      -1.920   5.469   3.140  1.00  0.00           H  
HETATM  109  H   UNL     1      -4.068   4.767   2.319  1.00  0.00           H  
HETATM  110  H   UNL     1      -3.375   3.207   2.860  1.00  0.00           H  
HETATM  111  H   UNL     1       0.432   2.539  -2.685  1.00  0.00           H  
HETATM  112  H   UNL     1       2.777   4.035  -2.596  1.00  0.00           H  
HETATM  113  H   UNL     1       1.452   4.344  -3.766  1.00  0.00           H  
HETATM  114  H   UNL     1       1.971   5.715  -1.067  1.00  0.00           H  
HETATM  115  H   UNL     1       1.558   6.472  -2.643  1.00  0.00           H  
HETATM  116  H   UNL     1      -0.716   5.685  -2.559  1.00  0.00           H  
HETATM  117  H   UNL     1      -0.410   6.058  -0.836  1.00  0.00           H  
HETATM  118  H   UNL     1       2.947   1.718  -2.208  1.00  0.00           H  
HETATM  119  H   UNL     1       3.523   1.719   0.655  1.00  0.00           H  
HETATM  120  H   UNL     1       2.709  -0.812  -0.842  1.00  0.00           H  
HETATM  121  H   UNL     1       3.457  -0.790   0.773  1.00  0.00           H  
HETATM  122  H   UNL     1       1.574   0.581   1.625  1.00  0.00           H  
HETATM  123  H   UNL     1       0.827   0.558   0.010  1.00  0.00           H  
HETATM  124  H   UNL     1       0.681  -1.915   0.112  1.00  0.00           H  
HETATM  125  H   UNL     1       1.428  -1.893   1.727  1.00  0.00           H  
HETATM  126  H   UNL     1      -0.454  -0.522   2.579  1.00  0.00           H  
HETATM  127  H   UNL     1      -1.202  -0.544   0.964  1.00  0.00           H  
HETATM  128  H   UNL     1      -2.108  -2.229   2.388  1.00  0.00           H  
HETATM  129  H   UNL     1      -1.313  -2.921   1.122  1.00  0.00           H  
HETATM  130  H   UNL     1      -0.621  -2.901   2.617  1.00  0.00           H  
HETATM  131  H   UNL     1       5.538  -0.051   0.913  1.00  0.00           H  
HETATM  132  H   UNL     1       7.118  -0.178  -1.540  1.00  0.00           H  
HETATM  133  H   UNL     1       7.959   1.517   0.853  1.00  0.00           H  
HETATM  134  H   UNL     1       9.033   1.065  -0.493  1.00  0.00           H  
HETATM  135  H   UNL     1       7.502   2.184  -2.091  1.00  0.00           H  
HETATM  136  H   UNL     1       6.428   2.636  -0.745  1.00  0.00           H  
HETATM  137  H   UNL     1       8.271   3.932   0.291  1.00  0.00           H  
HETATM  138  H   UNL     1       9.345   3.480  -1.055  1.00  0.00           H  
HETATM  139  H   UNL     1       7.024   4.675  -2.132  1.00  0.00           H  
HETATM  140  H   UNL     1       9.804   5.455  -0.175  1.00  0.00           H  
HETATM  141  H   UNL     1       9.892   7.066  -0.646  1.00  0.00           H  
HETATM  142  H   UNL     1       7.160   6.918  -2.776  1.00  0.00           H  
HETATM  143  H   UNL     1       8.362   7.912  -2.151  1.00  0.00           H  
HETATM  144  H   UNL     1       9.521  -1.082  -0.719  1.00  0.00           H  
HETATM  145  H   UNL     1       9.239  -2.726   1.677  1.00  0.00           H  
HETATM  146  H   UNL     1       9.612  -4.851   0.456  1.00  0.00           H  
HETATM  147  H   UNL     1       9.168  -3.167  -2.049  1.00  0.00           H  
HETATM  148  H   UNL     1      10.748  -3.794  -1.520  1.00  0.00           H  
HETATM  149  H   UNL     1       7.353  -5.036  -0.551  1.00  0.00           H  
HETATM  150  H   UNL     1       7.297  -4.137   0.984  1.00  0.00           H  
HETATM  151  H   UNL     1       7.214  -3.261  -0.564  1.00  0.00           H  
HETATM  152  H   UNL     1       9.868  -6.109  -1.638  1.00  0.00           H  
HETATM  153  H   UNL     1       8.289  -5.483  -2.167  1.00  0.00           H  
HETATM  154  H   UNL     1       9.718  -5.288  -3.210  1.00  0.00           H  
HETATM  155  H   UNL     1      11.428  -4.298   1.647  1.00  0.00           H  
HETATM  156  H   UNL     1      13.631  -2.970   0.266  1.00  0.00           H  
HETATM  157  H   UNL     1      13.445  -3.004   3.312  1.00  0.00           H  
HETATM  158  H   UNL     1      14.851  -2.464   2.365  1.00  0.00           H  
HETATM  159  H   UNL     1      13.322  -1.558   2.281  1.00  0.00           H  
HETATM  160  H   UNL     1      15.834  -4.154   1.269  1.00  0.00           H  
HETATM  161  H   UNL     1      15.658  -5.818   1.428  1.00  0.00           H  
CONECT    1    2   78   79   30                                       
CONECT    2    1    3   80   81                                       
CONECT    3    2   10   82   83                                       
CONECT    4   10   11   84   85                                       
CONECT    5   11   12   13   86                                       
CONECT    6   16   10   87   88                                       
CONECT    7   19   16   21   89                                       
CONECT    8   23   23   22   90                                       
CONECT    9   24   23   29   29                                       
CONECT   10    6    3    4                                            
CONECT   11    4    5   91   92                                       
CONECT   12    5   93   94                                            
CONECT   13    5   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   95                                                 
CONECT   16   17    6    7   96                                       
CONECT   17   18   16                                                 
CONECT   18   22   19   17   97                                       
CONECT   19   18   20    7   98                                       
CONECT   20   19   99                                                 
CONECT   21    7  100                                                 
CONECT   22    8   29   18                                            
CONECT   23    9    8    8                                            
CONECT   24   25   26   26    9                                       
CONECT   25   24  101  102                                            
CONECT   26   24   24   27                                            
CONECT   27   26   28   28  103                                       
CONECT   28   27   27   29                                            
CONECT   29    9    9   22   28                                       
CONECT   30   31   36    1                                            
CONECT   31   30   32   34  104                                       
CONECT   32   31   33   33   37                                       
CONECT   33   32   32                                                 
CONECT   34   31   35  105  106                                       
CONECT   35   34   36  107  108                                       
CONECT   36   30   35  109  110                                       
CONECT   37   38   43   32                                            
CONECT   38   37   39   41  111                                       
CONECT   39   38   40   40   44                                       
CONECT   40   39   39                                                 
CONECT   41   38   42  112  113                                       
CONECT   42   41   43  114  115                                       
CONECT   43   37   42  116  117                                       
CONECT   44   45  118   39                                            
CONECT   45   44   46   48  119                                       
CONECT   46   45   47   47   53                                       
CONECT   47   46   46                                                 
CONECT   48   45   49  120  121                                       
CONECT   49   48   50  122  123                                       
CONECT   50   49   51  124  125                                       
CONECT   51   50   52  126  127                                       
CONECT   52   51  128  129  130                                       
CONECT   53   54  131   46                                            
CONECT   54   53   55   57  132                                       
CONECT   55   54   56   56   64                                       
CONECT   56   55   55                                                 
CONECT   57   54   58  133  134                                       
CONECT   58   57   59  135  136                                       
CONECT   59   58   60  137  138                                       
CONECT   60   59   61  139                                            
CONECT   61   60   62   63   63                                       
CONECT   62   61  140  141                                            
CONECT   63   61   61  142  143                                       
CONECT   64   65  144   55                                            
CONECT   65   64   66   68  145                                       
CONECT   66   65   67   67   72                                       
CONECT   67   66   66                                                 
CONECT   68   65   69   70  146                                       
CONECT   69   68   71  147  148                                       
CONECT   70   68  149  150  151                                       
CONECT   71   69  152  153  154                                       
CONECT   72   73  155   66                                            
CONECT   73   72   74   76  156                                       
CONECT   74   73   75   75   77                                       
CONECT   75   74   74                                                 
CONECT   76   73  157  158  159                                       
CONECT   77  160  161   74                                            
CONECT   78    1                                                      
CONECT   79    1                                                      
CONECT   80    2                                                      
CONECT   81    2                                                      
CONECT   82    3                                                      
CONECT   83    3                                                      
CONECT   84    4                                                      
CONECT   85    4                                                      
CONECT   86    5                                                      
CONECT   87    6                                                      
CONECT   88    6                                                      
CONECT   89    7                                                      
CONECT   90    8                                                      
CONECT   91   11                                                      
CONECT   92   11                                                      
CONECT   93   12                                                      
CONECT   94   12                                                      
CONECT   95   15                                                      
CONECT   96   16                                                      
CONECT   97   18                                                      
CONECT   98   19                                                      
CONECT   99   20                                                      
CONECT  100   21                                                      
CONECT  101   25                                                      
CONECT  102   25                                                      
CONECT  103   27                                                      
CONECT  104   31                                                      
CONECT  105   34                                                      
CONECT  106   34                                                      
CONECT  107   35                                                      
CONECT  108   35                                                      
CONECT  109   36                                                      
CONECT  110   36                                                      
CONECT  111   38                                                      
CONECT  112   41                                                      
CONECT  113   41                                                      
CONECT  114   42                                                      
CONECT  115   42                                                      
CONECT  116   43                                                      
CONECT  117   43                                                      
CONECT  118   44                                                      
CONECT  119   45                                                      
CONECT  120   48                                                      
CONECT  121   48                                                      
CONECT  122   49                                                      
CONECT  123   49                                                      
CONECT  124   50                                                      
CONECT  125   50                                                      
CONECT  126   51                                                      
CONECT  127   51                                                      
CONECT  128   52                                                      
CONECT  129   52                                                      
CONECT  130   52                                                      
CONECT  131   53                                                      
CONECT  132   54                                                      
CONECT  133   57                                                      
CONECT  134   57                                                      
CONECT  135   58                                                      
CONECT  136   58                                                      
CONECT  137   59                                                      
CONECT  138   59                                                      
CONECT  139   60                                                      
CONECT  140   62                                                      
CONECT  141   62                                                      
CONECT  142   63                                                      
CONECT  143   63                                                      
CONECT  144   64                                                      
CONECT  145   65                                                      
CONECT  146   68                                                      
CONECT  147   69                                                      
CONECT  148   69                                                      
CONECT  149   70                                                      
CONECT  150   70                                                      
CONECT  151   70                                                      
CONECT  152   71                                                      
CONECT  153   71                                                      
CONECT  154   71                                                      
CONECT  155   72                                                      
CONECT  156   73                                                      
CONECT  157   76                                                      
CONECT  158   76                                                      
CONECT  159   76                                                      
CONECT  160   77                                                      
CONECT  161   77                                                      
MASTER        0    0    0    0    0    0    0    0  161    0  161    0
END
