COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -11.457  -8.351   2.091  1.00  0.00           C  
HETATM    2  C   UNL     1     -13.052  -6.679   1.467  1.00  0.00           C  
HETATM    3  C   UNL     1     -13.586  -5.274   1.587  1.00  0.00           C  
HETATM    4  C   UNL     1     -12.915  -4.392   0.566  1.00  0.00           C  
HETATM    5  C   UNL     1     -12.585  -2.229  -0.506  1.00  0.00           C  
HETATM    6  C   UNL     1     -13.119  -0.825  -0.385  1.00  0.00           C  
HETATM    7  C   UNL     1     -12.140   2.496  -1.620  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.896   2.458  -0.730  1.00  0.00           C  
HETATM    9  C   UNL     1     -14.449   1.633  -1.887  1.00  0.00           C  
HETATM   10  C   UNL     1     -13.669  -7.582   0.621  1.00  0.00           C  
HETATM   11  C   UNL     1     -13.176  -8.868   0.507  1.00  0.00           C  
HETATM   12  C   UNL     1       3.067   7.052   2.796  1.00  0.00           C  
HETATM   13  O   UNL     1       4.049   8.063   2.559  1.00  0.00           O  
HETATM   14  C   UNL     1       3.673   5.676   2.511  1.00  0.00           C  
HETATM   15  C   UNL     1       4.955   5.505   3.329  1.00  0.00           C  
HETATM   16  C   UNL     1       2.671   4.587   2.900  1.00  0.00           C  
HETATM   17  P   UNL     1       6.742   1.548  -1.575  1.00  0.00           P  
HETATM   18  P   UNL     1       5.030   3.809  -0.714  1.00  0.00           P  
HETATM   19  P   UNL     1      12.558  -1.796  -0.416  1.00  0.00           P  
HETATM   20  S   UNL     1      -7.381   4.580  -1.008  1.00  0.00           S  
HETATM   21  C   UNL     1      -6.004   4.393   0.158  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.864   5.331  -0.245  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.752   5.181   0.697  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.631   5.913   0.539  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.543   6.696  -0.383  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.487   5.758   1.507  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.347   6.696   1.105  1.00  0.00           C  
HETATM   28  N   UNL     1       0.765   6.545   2.046  1.00  0.00           N  
HETATM   29  C   UNL     1       1.885   7.277   1.888  1.00  0.00           C  
HETATM   30  O   UNL     1       1.943   8.118   1.015  1.00  0.00           O  
HETATM   31  C   UNL     1       8.273  -3.768   0.250  1.00  0.00           C  
HETATM   32  N   UNL     1       6.875  -8.700   1.088  1.00  0.00           N  
HETATM   33  O   UNL     1       5.930   0.967  -2.838  1.00  0.00           O  
HETATM   34  C   UNL     1       7.939  -8.056   1.534  1.00  0.00           C  
HETATM   35  C   UNL     1       9.446  -3.864  -0.758  1.00  0.00           C  
HETATM   36  O   UNL     1       7.814   2.451  -2.051  1.00  0.00           O  
HETATM   37  O   UNL     1      10.445  -4.773  -0.292  1.00  0.00           O  
HETATM   38  C   UNL     1       9.982  -2.412  -0.771  1.00  0.00           C  
HETATM   39  N   UNL     1       8.175  -6.794   1.242  1.00  0.00           N  
HETATM   40  O   UNL     1       5.737   2.365  -0.620  1.00  0.00           O  
HETATM   41  O   UNL     1      11.113  -2.288   0.094  1.00  0.00           O  
HETATM   42  C   UNL     1       7.334  -6.108   0.474  1.00  0.00           C  
HETATM   43  C   UNL     1       8.803  -1.569  -0.247  1.00  0.00           C  
HETATM   44  O   UNL     1       3.744   3.714  -1.678  1.00  0.00           O  
HETATM   45  O   UNL     1       7.705  -2.468  -0.017  1.00  0.00           O  
HETATM   46  C   UNL     1       6.188  -6.749  -0.025  1.00  0.00           C  
HETATM   47  C   UNL     1       8.409  -0.521  -1.289  1.00  0.00           C  
HETATM   48  O   UNL     1       5.989   4.792  -1.265  1.00  0.00           O  
HETATM   49  O   UNL     1       7.395   0.329  -0.750  1.00  0.00           O  
HETATM   50  C   UNL     1       5.980  -8.096   0.314  1.00  0.00           C  
HETATM   51  N   UNL     1       4.868  -8.779  -0.149  1.00  0.00           N  
HETATM   52  O   UNL     1       4.566   4.276   0.756  1.00  0.00           O  
HETATM   53  N   UNL     1       5.513  -5.838  -0.767  1.00  0.00           N  
HETATM   54  O   UNL     1      12.460  -0.267  -0.912  1.00  0.00           O  
HETATM   55  C   UNL     1       6.157  -4.707  -0.755  1.00  0.00           C  
HETATM   56  O   UNL     1      13.618  -1.901   0.791  1.00  0.00           O  
HETATM   57  N   UNL     1       7.288  -4.823  -0.003  1.00  0.00           N  
HETATM   58  O   UNL     1      13.002  -2.651  -1.539  1.00  0.00           O  
HETATM   59  C   UNL     1       4.000   5.561   1.021  1.00  0.00           C  
HETATM   60  N   UNL     1     -13.237  -3.086   0.488  1.00  0.00           N  
HETATM   61  C   UNL     1     -12.073  -9.255   1.246  1.00  0.00           C  
HETATM   62  O   UNL     1     -12.085  -4.859  -0.186  1.00  0.00           O  
HETATM   63  N   UNL     1     -12.660   0.143  -1.203  1.00  0.00           N  
HETATM   64  O   UNL     1     -13.961  -0.566   0.448  1.00  0.00           O  
HETATM   65  C   UNL     1     -11.946  -7.063   2.201  1.00  0.00           C  
HETATM   66  O   UNL     1     -14.877   0.680  -2.494  1.00  0.00           O  
HETATM   67  OXT UNL     1     -15.105   2.803  -1.927  1.00  0.00           O  
HETATM   68  CA  UNL     1     -13.179   1.508  -1.086  1.00  0.00           C  
HETATM   69  C   UNL     1      -9.857   3.446  -1.264  1.00  0.00           C  
HETATM   70  C   UNL     1      -8.613   3.408  -0.375  1.00  0.00           C  
HETATM   71  H   UNL     1     -10.595  -8.653   2.668  1.00  0.00           H  
HETATM   72  H   UNL     1     -14.662  -5.278   1.413  1.00  0.00           H  
HETATM   73  H   UNL     1     -13.381  -4.892   2.587  1.00  0.00           H  
HETATM   74  H   UNL     1     -12.790  -2.611  -1.506  1.00  0.00           H  
HETATM   75  H   UNL     1     -11.509  -2.225  -0.331  1.00  0.00           H  
HETATM   76  H   UNL     1     -12.559   3.502  -1.616  1.00  0.00           H  
HETATM   77  H   UNL     1     -11.867   2.221  -2.639  1.00  0.00           H  
HETATM   78  H   UNL     1     -11.169   2.733   0.288  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.476   1.452  -0.735  1.00  0.00           H  
HETATM   80  H   UNL     1     -14.533  -7.282   0.047  1.00  0.00           H  
HETATM   81  H   UNL     1     -13.657  -9.574  -0.154  1.00  0.00           H  
HETATM   82  H   UNL     1       2.741   7.098   3.835  1.00  0.00           H  
HETATM   83  H   UNL     1       4.385   8.081   1.653  1.00  0.00           H  
HETATM   84  H   UNL     1       4.714   5.527   4.392  1.00  0.00           H  
HETATM   85  H   UNL     1       5.419   4.550   3.081  1.00  0.00           H  
HETATM   86  H   UNL     1       5.646   6.315   3.096  1.00  0.00           H  
HETATM   87  H   UNL     1       1.805   4.638   2.240  1.00  0.00           H  
HETATM   88  H   UNL     1       3.143   3.609   2.805  1.00  0.00           H  
HETATM   89  H   UNL     1       2.352   4.738   3.931  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.342   4.644   1.164  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.649   3.363   0.140  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.525   5.081  -1.250  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.218   6.362  -0.227  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.822   4.554   1.434  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.826   6.009   2.513  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.133   4.727   1.490  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.009   6.445   0.099  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.701   7.727   1.122  1.00  0.00           H  
HETATM   99  H   UNL     1       0.695   5.919   2.783  1.00  0.00           H  
HETATM  100  H   UNL     1       8.641  -3.826   1.274  1.00  0.00           H  
HETATM  101  H   UNL     1       5.210   0.366  -2.600  1.00  0.00           H  
HETATM  102  H   UNL     1       8.641  -8.585   2.161  1.00  0.00           H  
HETATM  103  H   UNL     1       9.088  -4.156  -1.745  1.00  0.00           H  
HETATM  104  H   UNL     1      10.130  -5.681  -0.181  1.00  0.00           H  
HETATM  105  H   UNL     1      10.245  -2.112  -1.786  1.00  0.00           H  
HETATM  106  H   UNL     1       9.083  -1.080   0.686  1.00  0.00           H  
HETATM  107  H   UNL     1       3.072   3.087  -1.378  1.00  0.00           H  
HETATM  108  H   UNL     1       9.282   0.076  -1.553  1.00  0.00           H  
HETATM  109  H   UNL     1       8.028  -1.020  -2.181  1.00  0.00           H  
HETATM  110  H   UNL     1       4.222  -8.328  -0.714  1.00  0.00           H  
HETATM  111  H   UNL     1       4.736  -9.710   0.092  1.00  0.00           H  
HETATM  112  H   UNL     1      12.174   0.351  -0.226  1.00  0.00           H  
HETATM  113  H   UNL     1       5.842  -3.809  -1.266  1.00  0.00           H  
HETATM  114  H   UNL     1      14.512  -1.620   0.555  1.00  0.00           H  
HETATM  115  H   UNL     1       3.087   5.683   0.438  1.00  0.00           H  
HETATM  116  H   UNL     1       4.714   6.337   0.744  1.00  0.00           H  
HETATM  117  H   UNL     1     -13.901  -2.714   1.089  1.00  0.00           H  
HETATM  118  H   UNL     1     -11.693 -10.262   1.162  1.00  0.00           H  
HETATM  119  H   UNL     1     -11.986  -0.064  -1.870  1.00  0.00           H  
HETATM  120  H   UNL     1     -11.465  -6.357   2.862  1.00  0.00           H  
HETATM  121  HXT UNL     1     -15.915   2.835  -2.454  1.00  0.00           H  
HETATM  122  HA  UNL     1     -13.387   1.729  -0.039  1.00  0.00           H  
HETATM  123  H   UNL     1      -9.583   3.171  -2.283  1.00  0.00           H  
HETATM  124  H   UNL     1     -10.276   4.452  -1.260  1.00  0.00           H  
HETATM  125  H   UNL     1      -8.193   2.402  -0.379  1.00  0.00           H  
HETATM  126  H   UNL     1      -8.886   3.684   0.644  1.00  0.00           H  
CONECT    1   65   61   61   71                                       
CONECT    2    3   65   65   10                                       
CONECT    3    4    2   72   73                                       
CONECT    4   60   62   62    3                                       
CONECT    5    6   60   74   75                                       
CONECT    6   64   64    5   63                                       
CONECT    7   68    8   76   77                                       
CONECT    8    7   69   78   79                                       
CONECT    9   68   66   66   67                                       
CONECT   10    2   11   11   80                                       
CONECT   11   10   10   61   81                                       
CONECT   12   14   13   29   82                                       
CONECT   13   12   83                                                 
CONECT   14   59   15   16   12                                       
CONECT   15   14   84   85   86                                       
CONECT   16   14   87   88   89                                       
CONECT   17   36   36   49   40                                       
CONECT   17   33                                                      
CONECT   18   40   52   48   48                                       
CONECT   18   44                                                      
CONECT   19   58   58   54   41                                       
CONECT   19   56                                                      
CONECT   20   70   21                                                 
CONECT   21   20   22   90   91                                       
CONECT   22   21   23   92   93                                       
CONECT   23   22   24   94                                            
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   95   96                                       
CONECT   27   26   28   97   98                                       
CONECT   28   29   27   99                                            
CONECT   29   12   30   30   28                                       
CONECT   30   29   29                                                 
CONECT   31   45   35   57  100                                       
CONECT   32   34   34   50                                            
CONECT   33   17  101                                                 
CONECT   34   39   32   32  102                                       
CONECT   35   38   31   37  103                                       
CONECT   36   17   17                                                 
CONECT   37   35  104                                                 
CONECT   38   41   43   35  105                                       
CONECT   39   42   42   34                                            
CONECT   40   17   18                                                 
CONECT   41   19   38                                                 
CONECT   42   57   39   39   46                                       
CONECT   43   38   45   47  106                                       
CONECT   44   18  107                                                 
CONECT   45   43   31                                                 
CONECT   46   42   53   50   50                                       
CONECT   47   43   49  108  109                                       
CONECT   48   18   18                                                 
CONECT   49   47   17                                                 
CONECT   50   46   46   32   51                                       
CONECT   51   50  110  111                                            
CONECT   52   59   18                                                 
CONECT   53   55   55   46                                            
CONECT   54   19  112                                                 
CONECT   55   57   53   53  113                                       
CONECT   56   19  114                                                 
CONECT   57   31   55   42                                            
CONECT   58   19   19                                                 
CONECT   59   52   14  115  116                                       
CONECT   60    5    4  117                                            
CONECT   61    1    1   11  118                                       
CONECT   62    4    4                                                 
CONECT   63    6   68  119                                            
CONECT   64    6    6                                                 
CONECT   65    2    2    1  120                                       
CONECT   66    9    9                                                 
CONECT   67    9  121                                                 
CONECT   68   63    9    7  122                                       
CONECT   69    8   70  123  124                                       
CONECT   70   69   20  125  126                                       
CONECT   71    1                                                      
CONECT   72    3                                                      
CONECT   73    3                                                      
CONECT   74    5                                                      
CONECT   75    5                                                      
CONECT   76    7                                                      
CONECT   77    7                                                      
CONECT   78    8                                                      
CONECT   79    8                                                      
CONECT   80   10                                                      
CONECT   81   11                                                      
CONECT   82   12                                                      
CONECT   83   13                                                      
CONECT   84   15                                                      
CONECT   85   15                                                      
CONECT   86   15                                                      
CONECT   87   16                                                      
CONECT   88   16                                                      
CONECT   89   16                                                      
CONECT   90   21                                                      
CONECT   91   21                                                      
CONECT   92   22                                                      
CONECT   93   22                                                      
CONECT   94   23                                                      
CONECT   95   26                                                      
CONECT   96   26                                                      
CONECT   97   27                                                      
CONECT   98   27                                                      
CONECT   99   28                                                      
CONECT  100   31                                                      
CONECT  101   33                                                      
CONECT  102   34                                                      
CONECT  103   35                                                      
CONECT  104   37                                                      
CONECT  105   38                                                      
CONECT  106   43                                                      
CONECT  107   44                                                      
CONECT  108   47                                                      
CONECT  109   47                                                      
CONECT  110   51                                                      
CONECT  111   51                                                      
CONECT  112   54                                                      
CONECT  113   55                                                      
CONECT  114   56                                                      
CONECT  115   59                                                      
CONECT  116   59                                                      
CONECT  117   60                                                      
CONECT  118   61                                                      
CONECT  119   63                                                      
CONECT  120   65                                                      
CONECT  121   67                                                      
CONECT  122   68                                                      
CONECT  123   69                                                      
CONECT  124   69                                                      
CONECT  125   70                                                      
CONECT  126   70                                                      
MASTER        0    0    0    0    0    0    0    0  126    0  126    0
END
