COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  CA  UNL     1      -6.542   2.744  -1.161  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.459   2.051   0.252  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.415   1.064  -0.282  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.330  -1.694  -2.054  1.00  0.00           C  
HETATM    5  C   UNL     1     -12.418  -2.820  -1.725  1.00  0.00           C  
HETATM    6  C   UNL     1     -13.049  -1.607  -1.494  1.00  0.00           C  
HETATM    7  C   UNL     1     -12.328  -0.434  -1.531  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.038   0.521   1.865  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.229   1.711   1.578  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.411   1.674   3.868  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.186   0.548   4.111  1.00  0.00           C  
HETATM   12  C   UNL     1     -11.061  -2.860  -2.004  1.00  0.00           C  
HETATM   13  N   UNL     1     -13.197  -4.078  -1.672  1.00  0.00           N1+
HETATM   14  O   UNL     1     -12.601  -5.231  -1.890  1.00  0.00           O  
HETATM   15  O   UNL     1     -14.487  -4.043  -1.407  1.00  0.00           O1-
HETATM   16  C   UNL     1     -10.959  -0.467  -1.817  1.00  0.00           C  
HETATM   17  S   UNL     1     -10.032   1.030  -1.879  1.00  0.00           S  
HETATM   18  N   UNL     1      -9.726   0.180   0.713  1.00  0.00           N  
HETATM   19  C   UNL     1      -8.986  -0.023   3.134  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.403   2.273   2.642  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.844   3.203  -0.500  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.991   3.859  -2.012  1.00  0.00           C  
HETATM   23  OXT UNL     1      -4.896   4.312  -1.778  1.00  0.00           O  
HETATM   24  O   UNL     1      -6.717   4.349  -3.029  1.00  0.00           O  
HETATM   25  H   UNL     1      -6.321   5.063  -3.547  1.00  0.00           H  
HETATM   26  N   UNL     1      -5.567   2.391  -0.126  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.578   1.518  -0.402  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.496   1.024  -1.507  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.575   1.155   0.662  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.568   0.153   0.093  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.549  -0.215   1.174  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.812   1.045   1.631  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.087   1.673   0.438  1.00  0.00           C  
HETATM   34  C   UNL     1       0.639   2.914   0.889  1.00  0.00           C  
HETATM   35  O   UNL     1       0.582   3.263   2.049  1.00  0.00           O  
HETATM   36  N   UNL     1       1.352   3.637   0.002  1.00  0.00           N  
HETATM   37  CA  UNL     1       2.058   4.844   0.440  1.00  0.00           C  
HETATM   38  C   UNL     1       1.111   6.016   0.415  1.00  0.00           C  
HETATM   39  O   UNL     1      -0.035   5.859   0.068  1.00  0.00           O  
HETATM   40  OXT UNL     1       1.542   7.234   0.780  1.00  0.00           O  
HETATM   41  HXT UNL     1       0.898   7.955   0.748  1.00  0.00           H  
HETATM   42  C   UNL     1       3.233   5.117  -0.502  1.00  0.00           C  
HETATM   43  C   UNL     1       4.240   4.002  -0.385  1.00  0.00           C  
HETATM   44  C   UNL     1       5.311   3.943   0.495  1.00  0.00           C  
HETATM   45  C   UNL     1       5.824   4.833   1.533  1.00  0.00           C  
HETATM   46  C   UNL     1       6.932   4.458   2.233  1.00  0.00           C  
HETATM   47  C   UNL     1       7.572   3.253   1.974  1.00  0.00           C  
HETATM   48  C   UNL     1       7.125   2.375   1.000  1.00  0.00           C  
HETATM   49  C   UNL     1       6.008   2.677   0.244  1.00  0.00           C  
HETATM   50  N   UNL     1       5.342   2.013  -0.773  1.00  0.00           N  
HETATM   51  C   UNL     1       4.272   2.761  -1.181  1.00  0.00           C  
HETATM   52  S   UNL     1       3.161   2.330  -2.410  1.00  0.00           S  
HETATM   53  C   UNL     1       3.733   0.706  -2.784  1.00  0.00           C  
HETATM   54  C   UNL     1       3.292  -0.386  -2.027  1.00  0.00           C  
HETATM   55  C   UNL     1       3.743  -1.653  -2.325  1.00  0.00           C  
HETATM   56  C   UNL     1       4.631  -1.848  -3.371  1.00  0.00           C  
HETATM   57  N   UNL     1       5.112  -3.213  -3.685  1.00  0.00           N1+
HETATM   58  O   UNL     1       4.695  -4.238  -2.971  1.00  0.00           O  
HETATM   59  O   UNL     1       5.956  -3.401  -4.678  1.00  0.00           O1-
HETATM   60  C   UNL     1       5.072  -0.771  -4.125  1.00  0.00           C  
HETATM   61  C   UNL     1       4.625   0.501  -3.842  1.00  0.00           C  
HETATM   62  N   UNL     1      -2.244  -0.816   2.315  1.00  0.00           N  
HETATM   63  C   UNL     1      -2.964  -1.943   2.149  1.00  0.00           C  
HETATM   64  O   UNL     1      -3.037  -2.460   1.054  1.00  0.00           O  
HETATM   65  C   UNL     1      -3.678  -2.560   3.323  1.00  0.00           C  
HETATM   66  N   UNL     1      -4.386  -3.770   2.884  1.00  0.00           N  
HETATM   67  C   UNL     1      -0.542  -1.217   0.605  1.00  0.00           C  
HETATM   68  C   UNL     1       0.400  -1.680   1.717  1.00  0.00           C  
HETATM   69  C   UNL     1       1.392  -2.667   1.157  1.00  0.00           C  
HETATM   70  O   UNL     1       1.349  -2.970  -0.016  1.00  0.00           O  
HETATM   71  N   UNL     1       2.327  -3.213   1.960  1.00  0.00           N  
HETATM   72  CA  UNL     1       3.291  -4.172   1.416  1.00  0.00           C  
HETATM   73  C   UNL     1       2.685  -5.552   1.423  1.00  0.00           C  
HETATM   74  O   UNL     1       1.564  -5.717   1.841  1.00  0.00           O  
HETATM   75  OXT UNL     1       3.392  -6.597   0.966  1.00  0.00           O  
HETATM   76  HXT UNL     1       2.962  -7.463   0.991  1.00  0.00           H  
HETATM   77  C   UNL     1       4.557  -4.166   2.274  1.00  0.00           C  
HETATM   78  C   UNL     1       5.229  -2.821   2.168  1.00  0.00           C  
HETATM   79  C   UNL     1       5.006  -1.718   2.981  1.00  0.00           C  
HETATM   80  C   UNL     1       4.134  -1.457   4.123  1.00  0.00           C  
HETATM   81  C   UNL     1       4.164  -0.224   4.706  1.00  0.00           C  
HETATM   82  C   UNL     1       5.004   0.774   4.231  1.00  0.00           C  
HETATM   83  C   UNL     1       5.849   0.576   3.150  1.00  0.00           C  
HETATM   84  C   UNL     1       5.883  -0.643   2.502  1.00  0.00           C  
HETATM   85  N   UNL     1       6.604  -1.126   1.423  1.00  0.00           N  
HETATM   86  C   UNL     1       6.255  -2.426   1.186  1.00  0.00           C  
HETATM   87  S   UNL     1       6.897  -3.426  -0.047  1.00  0.00           S  
HETATM   88  C   UNL     1       8.148  -2.361  -0.683  1.00  0.00           C  
HETATM   89  C   UNL     1       9.466  -2.475  -0.228  1.00  0.00           C  
HETATM   90  C   UNL     1      10.440  -1.639  -0.729  1.00  0.00           C  
HETATM   91  C   UNL     1      10.116  -0.687  -1.684  1.00  0.00           C  
HETATM   92  N   UNL     1      11.168   0.207  -2.218  1.00  0.00           N1+
HETATM   93  O   UNL     1      10.863   1.113  -3.125  1.00  0.00           O  
HETATM   94  O   UNL     1      12.407   0.098  -1.787  1.00  0.00           O1-
HETATM   95  C   UNL     1       8.812  -0.569  -2.140  1.00  0.00           C  
HETATM   96  C   UNL     1       7.830  -1.402  -1.651  1.00  0.00           C  
HETATM   97  HA  UNL     1      -6.740   1.874  -1.786  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.272  -1.727  -2.272  1.00  0.00           H  
HETATM   99  H   UNL     1     -14.107  -1.583  -1.277  1.00  0.00           H  
HETATM  100  H   UNL     1     -12.821   0.510  -1.351  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.804   2.082   4.662  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.165   0.102   5.095  1.00  0.00           H  
HETATM  103  H   UNL     1     -10.576  -3.808  -2.183  1.00  0.00           H  
HETATM  104  H   UNL     1     -10.336  -0.570   0.626  1.00  0.00           H  
HETATM  105  H   UNL     1      -9.574  -0.899   3.367  1.00  0.00           H  
HETATM  106  H   UNL     1      -6.796   3.148   2.463  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.632   4.017   0.193  1.00  0.00           H  
HETATM  108  H   UNL     1      -8.538   3.549  -1.265  1.00  0.00           H  
HETATM  109  H   UNL     1      -5.633   2.786   0.757  1.00  0.00           H  
HETATM  110  H   UNL     1      -3.050   2.053   0.988  1.00  0.00           H  
HETATM  111  H   UNL     1      -4.092   0.708   1.511  1.00  0.00           H  
HETATM  112  H   UNL     1      -3.093  -0.744  -0.232  1.00  0.00           H  
HETATM  113  H   UNL     1      -2.051   0.600  -0.756  1.00  0.00           H  
HETATM  114  H   UNL     1      -1.529   1.759   2.036  1.00  0.00           H  
HETATM  115  H   UNL     1      -0.086   0.783   2.401  1.00  0.00           H  
HETATM  116  H   UNL     1       0.631   0.959   0.033  1.00  0.00           H  
HETATM  117  H   UNL     1      -0.812   1.935  -0.331  1.00  0.00           H  
HETATM  118  H   UNL     1       1.398   3.358  -0.926  1.00  0.00           H  
HETATM  119  HA  UNL     1       2.431   4.699   1.454  1.00  0.00           H  
HETATM  120  H   UNL     1       2.870   5.174  -1.528  1.00  0.00           H  
HETATM  121  H   UNL     1       3.704   6.062  -0.230  1.00  0.00           H  
HETATM  122  H   UNL     1       5.334   5.773   1.742  1.00  0.00           H  
HETATM  123  H   UNL     1       7.320   5.110   3.003  1.00  0.00           H  
HETATM  124  H   UNL     1       8.447   2.992   2.550  1.00  0.00           H  
HETATM  125  H   UNL     1       7.652   1.448   0.831  1.00  0.00           H  
HETATM  126  H   UNL     1       5.593   1.150  -1.137  1.00  0.00           H  
HETATM  127  H   UNL     1       2.600  -0.235  -1.212  1.00  0.00           H  
HETATM  128  H   UNL     1       3.403  -2.496  -1.742  1.00  0.00           H  
HETATM  129  H   UNL     1       5.764  -0.930  -4.938  1.00  0.00           H  
HETATM  130  H   UNL     1       4.965   1.338  -4.433  1.00  0.00           H  
HETATM  131  H   UNL     1      -2.185  -0.402   3.191  1.00  0.00           H  
HETATM  132  H   UNL     1      -2.953  -2.823   4.093  1.00  0.00           H  
HETATM  133  H   UNL     1      -4.396  -1.847   3.728  1.00  0.00           H  
HETATM  134  H   UNL     1      -4.874  -4.204   3.654  1.00  0.00           H  
HETATM  135  H   UNL     1      -5.019  -3.564   2.126  1.00  0.00           H  
HETATM  136  H   UNL     1      -1.075  -2.076   0.199  1.00  0.00           H  
HETATM  137  H   UNL     1       0.036  -0.741  -0.187  1.00  0.00           H  
HETATM  138  H   UNL     1       0.933  -0.820   2.124  1.00  0.00           H  
HETATM  139  H   UNL     1      -0.178  -2.156   2.509  1.00  0.00           H  
HETATM  140  H   UNL     1       2.361  -2.971   2.899  1.00  0.00           H  
HETATM  141  HA  UNL     1       3.544  -3.892   0.393  1.00  0.00           H  
HETATM  142  H   UNL     1       4.292  -4.359   3.314  1.00  0.00           H  
HETATM  143  H   UNL     1       5.238  -4.941   1.923  1.00  0.00           H  
HETATM  144  H   UNL     1       3.477  -2.227   4.500  1.00  0.00           H  
HETATM  145  H   UNL     1       3.524  -0.021   5.551  1.00  0.00           H  
HETATM  146  H   UNL     1       4.999   1.738   4.719  1.00  0.00           H  
HETATM  147  H   UNL     1       6.486   1.380   2.813  1.00  0.00           H  
HETATM  148  H   UNL     1       7.258  -0.620   0.916  1.00  0.00           H  
HETATM  149  H   UNL     1       9.720  -3.216   0.516  1.00  0.00           H  
HETATM  150  H   UNL     1      11.458  -1.726  -0.379  1.00  0.00           H  
HETATM  151  H   UNL     1       8.567   0.175  -2.883  1.00  0.00           H  
HETATM  152  H   UNL     1       6.816  -1.312  -2.011  1.00  0.00           H  
CONECT    1   26   21   22   97                                       
CONECT    2   21    3    3    9                                       
CONECT    3   17    2    2   18                                       
CONECT    4   16   16   12   98                                       
CONECT    5    6   13   12   12                                       
CONECT    6    7    7    5   99                                       
CONECT    7    6    6   16  100                                       
CONECT    8   18    9    9   19                                       
CONECT    9    2    8    8   20                                       
CONECT   10   20   20   11  101                                       
CONECT   11   19   19   10  102                                       
CONECT   12    5    5    4  103                                       
CONECT   13   15    5   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   13                                                      
CONECT   16    7   17    4    4                                       
CONECT   17   16    3                                                 
CONECT   18    3    8  104                                            
CONECT   19    8   11   11  105                                       
CONECT   20    9   10   10  106                                       
CONECT   21    1    2  107  108                                       
CONECT   22    1   24   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   25   22                                                 
CONECT   25   24                                                      
CONECT   26    1   27  109                                            
CONECT   27   26   29   28   28                                       
CONECT   28   27   27                                                 
CONECT   29   27   30  110  111                                       
CONECT   30   29   31  112  113                                       
CONECT   31   32   62   30   67                                       
CONECT   32   33   31  114  115                                       
CONECT   33   34   32  116  117                                       
CONECT   34   36   35   35   33                                       
CONECT   35   34   34                                                 
CONECT   36   37   34  118                                            
CONECT   37   38   36   42  119                                       
CONECT   38   39   39   40   37                                       
CONECT   39   38   38                                                 
CONECT   40   41   38                                                 
CONECT   41   40                                                      
CONECT   42   37   43  120  121                                       
CONECT   43   42   51   51   44                                       
CONECT   44   43   45   45   49                                       
CONECT   45   44   44   46  122                                       
CONECT   46   45   47   47  123                                       
CONECT   47   46   46   48  124                                       
CONECT   48   49   49   47  125                                       
CONECT   49   44   50   48   48                                       
CONECT   50   51   49  126                                            
CONECT   51   52   43   43   50                                       
CONECT   52   51   53                                                 
CONECT   53   52   61   61   54                                       
CONECT   54   53   55   55  127                                       
CONECT   55   54   54   56  128                                       
CONECT   56   60   60   55   57                                       
CONECT   57   56   59   58   58                                       
CONECT   58   57   57                                                 
CONECT   59   57                                                      
CONECT   60   61   56   56  129                                       
CONECT   61   53   53   60  130                                       
CONECT   62   63   31  131                                            
CONECT   63   65   62   64   64                                       
CONECT   64   63   63                                                 
CONECT   65   66   63  132  133                                       
CONECT   66   65  134  135                                            
CONECT   67   31   68  136  137                                       
CONECT   68   67   69  138  139                                       
CONECT   69   68   70   70   71                                       
CONECT   70   69   69                                                 
CONECT   71   69   72  140                                            
CONECT   72   71   77   73  141                                       
CONECT   73   72   74   74   75                                       
CONECT   74   73   73                                                 
CONECT   75   73   76                                                 
CONECT   76   75                                                      
CONECT   77   72   78  142  143                                       
CONECT   78   77   79   86   86                                       
CONECT   79   80   80   78   84                                       
CONECT   80   79   79   81  144                                       
CONECT   81   80   82   82  145                                       
CONECT   82   81   81   83  146                                       
CONECT   83   84   84   82  147                                       
CONECT   84   79   85   83   83                                       
CONECT   85   86   84  148                                            
CONECT   86   78   78   87   85                                       
CONECT   87   88   86                                                 
CONECT   88   89   87   96   96                                       
CONECT   89   90   90   88  149                                       
CONECT   90   89   89   91  150                                       
CONECT   91   90   92   95   95                                       
CONECT   92   93   93   91   94                                       
CONECT   93   92   92                                                 
CONECT   94   92                                                      
CONECT   95   91   91   96  151                                       
CONECT   96   88   88   95  152                                       
CONECT   97    1                                                      
CONECT   98    4                                                      
CONECT   99    6                                                      
CONECT  100    7                                                      
CONECT  101   10                                                      
CONECT  102   11                                                      
CONECT  103   12                                                      
CONECT  104   18                                                      
CONECT  105   19                                                      
CONECT  106   20                                                      
CONECT  107   21                                                      
CONECT  108   21                                                      
CONECT  109   26                                                      
CONECT  110   29                                                      
CONECT  111   29                                                      
CONECT  112   30                                                      
CONECT  113   30                                                      
CONECT  114   32                                                      
CONECT  115   32                                                      
CONECT  116   33                                                      
CONECT  117   33                                                      
CONECT  118   36                                                      
CONECT  119   37                                                      
CONECT  120   42                                                      
CONECT  121   42                                                      
CONECT  122   45                                                      
CONECT  123   46                                                      
CONECT  124   47                                                      
CONECT  125   48                                                      
CONECT  126   50                                                      
CONECT  127   54                                                      
CONECT  128   55                                                      
CONECT  129   60                                                      
CONECT  130   61                                                      
CONECT  131   62                                                      
CONECT  132   65                                                      
CONECT  133   65                                                      
CONECT  134   66                                                      
CONECT  135   66                                                      
CONECT  136   67                                                      
CONECT  137   67                                                      
CONECT  138   68                                                      
CONECT  139   68                                                      
CONECT  140   71                                                      
CONECT  141   72                                                      
CONECT  142   77                                                      
CONECT  143   77                                                      
CONECT  144   80                                                      
CONECT  145   81                                                      
CONECT  146   82                                                      
CONECT  147   83                                                      
CONECT  148   85                                                      
CONECT  149   89                                                      
CONECT  150   90                                                      
CONECT  151   95                                                      
CONECT  152   96                                                      
MASTER        0    0    0    0    0    0    0    0  152    0  152    0
END
