COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNK     1       3.166  -4.603   1.478  1.00  0.00           O  
HETATM    2  C   UNK     1       2.689  -3.493   1.493  1.00  0.00           C  
HETATM    3  C   UNK     1       3.587  -2.289   1.609  1.00  0.00           C  
HETATM    4  C   UNK     1       5.045  -2.745   1.690  1.00  0.00           C  
HETATM    5  C   UNK     1       5.957  -1.522   1.808  1.00  0.00           C  
HETATM    6  C   UNK     1       7.415  -1.979   1.888  1.00  0.00           C  
HETATM    7  C   UNK     1       8.327  -0.756   2.006  1.00  0.00           C  
HETATM    8  C   UNK     1       9.785  -1.212   2.087  1.00  0.00           C  
HETATM    9  C   UNK     1      10.696   0.011   2.204  1.00  0.00           C  
HETATM   10  C   UNK     1      12.132  -0.439   2.284  1.00  0.00           C  
HETATM   11  C   UNK     1      13.023   0.065   1.467  1.00  0.00           C  
HETATM   12  C   UNK     1      12.653   1.214   0.564  1.00  0.00           C  
HETATM   13  C   UNK     1      13.648   2.359   0.760  1.00  0.00           C  
HETATM   14  C   UNK     1      13.272   3.524  -0.157  1.00  0.00           C  
HETATM   15  C   UNK     1      14.267   4.669   0.040  1.00  0.00           C  
HETATM   16  C   UNK     1      13.891   5.835  -0.877  1.00  0.00           C  
HETATM   17  C   UNK     1      14.887   6.980  -0.680  1.00  0.00           C  
HETATM   18  C   UNK     1      14.510   8.146  -1.597  1.00  0.00           C  
HETATM   19  C   UNK     1      15.506   9.291  -1.401  1.00  0.00           C  
HETATM   20  O   UNK     1       1.360  -3.333   1.403  1.00  0.00           O  
HETATM   21  C   UNK     1       0.557  -4.537   1.288  1.00  0.00           C  
HETATM   22  C   UNK     1       0.381  -4.894  -0.190  1.00  0.00           C  
HETATM   23  O   UNK     1      -0.376  -3.872  -0.840  1.00  0.00           O  
HETATM   24  P   UNK     1      -0.753  -3.920  -2.404  1.00  0.00           P  
HETATM   25  O   UNK     1      -1.733  -5.166  -2.682  1.00  0.00           O  
HETATM   26  O   UNK     1       0.483  -4.076  -3.204  1.00  0.00           O  
HETATM   27  O   UNK     1      -1.492  -2.552  -2.821  1.00  0.00           O  
HETATM   28  C   UNK     1      -1.860  -2.244  -4.167  1.00  0.00           C  
HETATM   29  C   UNK     1      -2.540  -0.874  -4.210  1.00  0.00           C  
HETATM   30  N   UNK     1      -1.576   0.164  -3.823  1.00  0.00           N  
HETATM   31  C   UNK     1      -3.037  -0.604  -5.607  1.00  0.00           C  
HETATM   32  O   UNK     1      -2.629   0.355  -6.217  1.00  0.00           O  
HETATM   33  C   UNK     1      -0.815  -4.298   1.921  1.00  0.00           C  
HETATM   34  O   UNK     1      -1.529  -3.287   1.163  1.00  0.00           O  
HETATM   35  C   UNK     1      -2.758  -2.958   1.590  1.00  0.00           C  
HETATM   36  O   UNK     1      -3.222  -3.498   2.567  1.00  0.00           O  
HETATM   37  C   UNK     1      -3.559  -1.917   0.853  1.00  0.00           C  
HETATM   38  C   UNK     1      -4.913  -1.732   1.542  1.00  0.00           C  
HETATM   39  C   UNK     1      -5.727  -0.675   0.793  1.00  0.00           C  
HETATM   40  C   UNK     1      -7.080  -0.491   1.482  1.00  0.00           C  
HETATM   41  C   UNK     1      -7.894   0.567   0.734  1.00  0.00           C  
HETATM   42  C   UNK     1      -9.247   0.751   1.423  1.00  0.00           C  
HETATM   43  C   UNK     1     -10.061   1.809   0.674  1.00  0.00           C  
HETATM   44  C   UNK     1     -11.415   1.993   1.363  1.00  0.00           C  
HETATM   45  C   UNK     1     -12.228   3.051   0.614  1.00  0.00           C  
HETATM   46  C   UNK     1     -13.582   3.235   1.303  1.00  0.00           C  
HETATM   47  C   UNK     1     -14.395   4.293   0.554  1.00  0.00           C  
HETATM   48  C   UNK     1     -15.749   4.477   1.243  1.00  0.00           C  
HETATM   49  C   UNK     1     -16.562   5.535   0.495  1.00  0.00           C  
HETATM   50  C   UNK     1     -17.916   5.719   1.184  1.00  0.00           C  
HETATM   51  C   UNK     1     -18.729   6.777   0.435  1.00  0.00           C  
HETATM   52  H   UNK     1       3.454  -1.651   0.735  1.00  0.00           H  
HETATM   53  H   UNK     1       3.331  -1.729   2.509  1.00  0.00           H  
HETATM   54  H   UNK     1       5.178  -3.383   2.564  1.00  0.00           H  
HETATM   55  H   UNK     1       5.301  -3.304   0.790  1.00  0.00           H  
HETATM   56  H   UNK     1       5.824  -0.885   0.933  1.00  0.00           H  
HETATM   57  H   UNK     1       5.701  -0.963   2.707  1.00  0.00           H  
HETATM   58  H   UNK     1       7.548  -2.616   2.763  1.00  0.00           H  
HETATM   59  H   UNK     1       7.671  -2.538   0.989  1.00  0.00           H  
HETATM   60  H   UNK     1       8.194  -0.118   1.132  1.00  0.00           H  
HETATM   61  H   UNK     1       8.071  -0.197   2.906  1.00  0.00           H  
HETATM   62  H   UNK     1       9.918  -1.850   2.961  1.00  0.00           H  
HETATM   63  H   UNK     1      10.041  -1.771   1.187  1.00  0.00           H  
HETATM   64  H   UNK     1      10.563   0.648   1.330  1.00  0.00           H  
HETATM   65  H   UNK     1      10.440   0.570   3.104  1.00  0.00           H  
HETATM   66  H   UNK     1      12.427  -1.177   3.015  1.00  0.00           H  
HETATM   67  H   UNK     1      14.023  -0.342   1.440  1.00  0.00           H  
HETATM   68  H   UNK     1      12.680   0.883  -0.475  1.00  0.00           H  
HETATM   69  H   UNK     1      11.648   1.559   0.809  1.00  0.00           H  
HETATM   70  H   UNK     1      13.621   2.690   1.798  1.00  0.00           H  
HETATM   71  H   UNK     1      14.652   2.013   0.515  1.00  0.00           H  
HETATM   72  H   UNK     1      13.299   3.194  -1.195  1.00  0.00           H  
HETATM   73  H   UNK     1      12.268   3.870   0.089  1.00  0.00           H  
HETATM   74  H   UNK     1      14.240   5.000   1.078  1.00  0.00           H  
HETATM   75  H   UNK     1      15.272   4.324  -0.206  1.00  0.00           H  
HETATM   76  H   UNK     1      13.918   5.504  -1.915  1.00  0.00           H  
HETATM   77  H   UNK     1      12.887   6.181  -0.632  1.00  0.00           H  
HETATM   78  H   UNK     1      14.860   7.311   0.358  1.00  0.00           H  
HETATM   79  H   UNK     1      15.891   6.635  -0.926  1.00  0.00           H  
HETATM   80  H   UNK     1      14.537   7.815  -2.635  1.00  0.00           H  
HETATM   81  H   UNK     1      13.506   8.492  -1.352  1.00  0.00           H  
HETATM   82  H   UNK     1      15.479   9.622  -0.363  1.00  0.00           H  
HETATM   83  H   UNK     1      16.510   8.946  -1.646  1.00  0.00           H  
HETATM   84  H   UNK     1      15.238  10.122  -2.054  1.00  0.00           H  
HETATM   85  H   UNK     1       1.057  -5.358   1.803  1.00  0.00           H  
HETATM   86  H   UNK     1       1.360  -4.977  -0.662  1.00  0.00           H  
HETATM   87  H   UNK     1      -0.145  -5.845  -0.274  1.00  0.00           H  
HETATM   88  H   UNK     1      -2.565  -5.130  -2.190  1.00  0.00           H  
HETATM   89  H   UNK     1      -0.967  -2.226  -4.792  1.00  0.00           H  
HETATM   90  H   UNK     1      -2.548  -3.003  -4.538  1.00  0.00           H  
HETATM   91  H   UNK     1      -3.382  -0.865  -3.517  1.00  0.00           H  
HETATM   92  H   UNK     1      -0.786   0.175  -4.451  1.00  0.00           H  
HETATM   93  H   UNK     1      -2.017   1.070  -3.781  1.00  0.00           H  
HETATM   94  H   UNK     1      -3.757  -1.267  -6.062  1.00  0.00           H  
HETATM   95  H   UNK     1      -1.385  -5.227   1.915  1.00  0.00           H  
HETATM   96  H   UNK     1      -0.686  -3.958   2.949  1.00  0.00           H  
HETATM   97  H   UNK     1      -3.018  -0.971   0.858  1.00  0.00           H  
HETATM   98  H   UNK     1      -3.717  -2.240  -0.176  1.00  0.00           H  
HETATM   99  H   UNK     1      -5.455  -2.678   1.537  1.00  0.00           H  
HETATM  100  H   UNK     1      -4.756  -1.409   2.571  1.00  0.00           H  
HETATM  101  H   UNK     1      -5.185   0.271   0.798  1.00  0.00           H  
HETATM  102  H   UNK     1      -5.884  -0.998  -0.236  1.00  0.00           H  
HETATM  103  H   UNK     1      -7.622  -1.436   1.477  1.00  0.00           H  
HETATM  104  H   UNK     1      -6.923  -0.167   2.511  1.00  0.00           H  
HETATM  105  H   UNK     1      -7.352   1.513   0.739  1.00  0.00           H  
HETATM  106  H   UNK     1      -8.051   0.244  -0.295  1.00  0.00           H  
HETATM  107  H   UNK     1      -9.789  -0.194   1.418  1.00  0.00           H  
HETATM  108  H   UNK     1      -9.090   1.075   2.451  1.00  0.00           H  
HETATM  109  H   UNK     1      -9.519   2.755   0.679  1.00  0.00           H  
HETATM  110  H   UNK     1     -10.218   1.486  -0.355  1.00  0.00           H  
HETATM  111  H   UNK     1     -11.956   1.048   1.358  1.00  0.00           H  
HETATM  112  H   UNK     1     -11.257   2.317   2.392  1.00  0.00           H  
HETATM  113  H   UNK     1     -11.686   3.997   0.619  1.00  0.00           H  
HETATM  114  H   UNK     1     -12.385   2.728  -0.415  1.00  0.00           H  
HETATM  115  H   UNK     1     -14.123   2.289   1.298  1.00  0.00           H  
HETATM  116  H   UNK     1     -13.425   3.559   2.332  1.00  0.00           H  
HETATM  117  H   UNK     1     -13.853   5.239   0.559  1.00  0.00           H  
HETATM  118  H   UNK     1     -14.552   3.970  -0.475  1.00  0.00           H  
HETATM  119  H   UNK     1     -16.291   3.531   1.238  1.00  0.00           H  
HETATM  120  H   UNK     1     -15.592   4.801   2.272  1.00  0.00           H  
HETATM  121  H   UNK     1     -16.020   6.481   0.500  1.00  0.00           H  
HETATM  122  H   UNK     1     -16.719   5.211  -0.534  1.00  0.00           H  
HETATM  123  H   UNK     1     -18.458   4.773   1.179  1.00  0.00           H  
HETATM  124  H   UNK     1     -17.759   6.043   2.213  1.00  0.00           H  
HETATM  125  H   UNK     1     -18.188   7.723   0.440  1.00  0.00           H  
HETATM  126  H   UNK     1     -18.886   6.453  -0.594  1.00  0.00           H  
HETATM  127  H   UNK     1     -19.694   6.908   0.926  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3   20    1    1                                       
CONECT    3    2    4   52   53                                       
CONECT    4    3    5   54   55                                       
CONECT    5    6    4   56   57                                       
CONECT    6    7    5   58   59                                       
CONECT    7    8    6   60   61                                       
CONECT    8    9    7   62   63                                       
CONECT    9   10    8   64   65                                       
CONECT   10   11   11    9   66                                       
CONECT   11   12   10   10   67                                       
CONECT   12   13   11   68   69                                       
CONECT   13   14   12   70   71                                       
CONECT   14   15   13   72   73                                       
CONECT   15   16   14   74   75                                       
CONECT   16   17   15   76   77                                       
CONECT   17   18   16   78   79                                       
CONECT   18   19   17   80   81                                       
CONECT   19   18   82   83   84                                       
CONECT   20   21    2                                                 
CONECT   21   22   20   33   85                                       
CONECT   22   23   21   86   87                                       
CONECT   23   24   22                                                 
CONECT   24   26   26   27   23                                       
CONECT   24   25                                                      
CONECT   25   24   88                                                 
CONECT   26   24   24                                                 
CONECT   27   28   24                                                 
CONECT   28   29   27   89   90                                       
CONECT   29   30   31   28   91                                       
CONECT   30   29   92   93                                            
CONECT   31   29   32   32   94                                       
CONECT   32   31   31                                                 
CONECT   33   21   34   95   96                                       
CONECT   34   33   35                                                 
CONECT   35   34   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   38   97   98                                       
CONECT   38   37   39   99  100                                       
CONECT   39   38   40  101  102                                       
CONECT   40   39   41  103  104                                       
CONECT   41   40   42  105  106                                       
CONECT   42   43   41  107  108                                       
CONECT   43   44   42  109  110                                       
CONECT   44   45   43  111  112                                       
CONECT   45   46   44  113  114                                       
CONECT   46   45   47  115  116                                       
CONECT   47   46   48  117  118                                       
CONECT   48   49   47  119  120                                       
CONECT   49   50   48  121  122                                       
CONECT   50   51   49  123  124                                       
CONECT   51   50  125  126  127                                       
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61    7                                                      
CONECT   62    8                                                      
CONECT   63    8                                                      
CONECT   64    9                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   12                                                      
CONECT   70   13                                                      
CONECT   71   13                                                      
CONECT   72   14                                                      
CONECT   73   14                                                      
CONECT   74   15                                                      
CONECT   75   15                                                      
CONECT   76   16                                                      
CONECT   77   16                                                      
CONECT   78   17                                                      
CONECT   79   17                                                      
CONECT   80   18                                                      
CONECT   81   18                                                      
CONECT   82   19                                                      
CONECT   83   19                                                      
CONECT   84   19                                                      
CONECT   85   21                                                      
CONECT   86   22                                                      
CONECT   87   22                                                      
CONECT   88   25                                                      
CONECT   89   28                                                      
CONECT   90   28                                                      
CONECT   91   29                                                      
CONECT   92   30                                                      
CONECT   93   30                                                      
CONECT   94   31                                                      
CONECT   95   33                                                      
CONECT   96   33                                                      
CONECT   97   37                                                      
CONECT   98   37                                                      
CONECT   99   38                                                      
CONECT  100   38                                                      
CONECT  101   39                                                      
CONECT  102   39                                                      
CONECT  103   40                                                      
CONECT  104   40                                                      
CONECT  105   41                                                      
CONECT  106   41                                                      
CONECT  107   42                                                      
CONECT  108   42                                                      
CONECT  109   43                                                      
CONECT  110   43                                                      
CONECT  111   44                                                      
CONECT  112   44                                                      
CONECT  113   45                                                      
CONECT  114   45                                                      
CONECT  115   46                                                      
CONECT  116   46                                                      
CONECT  117   47                                                      
CONECT  118   47                                                      
CONECT  119   48                                                      
CONECT  120   48                                                      
CONECT  121   49                                                      
CONECT  122   49                                                      
CONECT  123   50                                                      
CONECT  124   50                                                      
CONECT  125   51                                                      
CONECT  126   51                                                      
CONECT  127   51                                                      
MASTER        0    0    0    0    0    0    0    0  127    0  127    0
END
