COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.488  -0.213   0.996  1.00  0.00           O  
HETATM    2  C   UNL     1       0.743   0.113  -0.140  1.00  0.00           C  
HETATM    3  O   UNL     1       2.003   0.031  -0.595  1.00  0.00           O  
HETATM    4  C   UNL     1       3.008  -0.458   0.332  1.00  0.00           C  
HETATM    5  C   UNL     1       4.352  -0.481  -0.350  1.00  0.00           C  
HETATM    6  C   UNL     1       5.137  -1.521  -0.215  1.00  0.00           C  
HETATM    7  C   UNL     1       6.422  -1.601  -0.997  1.00  0.00           C  
HETATM    8  C   UNL     1       7.575  -1.077  -0.138  1.00  0.00           C  
HETATM    9  C   UNL     1       8.880  -1.158  -0.933  1.00  0.00           C  
HETATM   10  C   UNL     1      10.033  -0.635  -0.074  1.00  0.00           C  
HETATM   11  C   UNL     1      11.355  -0.831  -0.820  1.00  0.00           C  
HETATM   12  C   UNL     1      12.518  -0.423   0.087  1.00  0.00           C  
HETATM   13  C   UNL     1      13.839  -0.619  -0.659  1.00  0.00           C  
HETATM   14  C   UNL     1      15.002  -0.211   0.248  1.00  0.00           C  
HETATM   15  C   UNL     1      16.327  -0.524  -0.450  1.00  0.00           C  
HETATM   16  C   UNL     1      17.487  -0.233   0.503  1.00  0.00           C  
HETATM   17  C   UNL     1      18.812  -0.545  -0.195  1.00  0.00           C  
HETATM   18  C   UNL     1      19.973  -0.254   0.759  1.00  0.00           C  
HETATM   19  C   UNL     1      21.289  -0.683   0.108  1.00  0.00           C  
HETATM   20  C   UNL     1      20.019   1.245   1.063  1.00  0.00           C  
HETATM   21  C   UNL     1      14.920   1.288   0.539  1.00  0.00           C  
HETATM   22  C   UNL     1       9.823   0.854   0.208  1.00  0.00           C  
HETATM   23  C   UNL     1       4.755  -2.637   0.723  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.355   0.606  -1.046  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.685   0.596  -0.290  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.799   1.097  -1.211  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.089   1.211  -0.456  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.656   2.238   0.238  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.292   3.657   0.549  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.322   4.487  -0.708  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.027   5.795  -0.656  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.075   6.533  -1.906  1.00  0.00           C  
HETATM   33  O   UNL     1      -4.611   3.975  -1.763  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.092   0.053  -2.326  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.925   0.688  -3.708  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.523  -0.347  -2.102  1.00  0.00           C  
HETATM   37  N   UNL     1      -4.821   0.091  -0.813  1.00  0.00           N  
HETATM   38  C   UNL     1      -5.467  -0.778  -2.968  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.848  -1.211  -2.702  1.00  0.00           C  
HETATM   40  N   UNL     1      -7.345  -1.260  -1.406  1.00  0.00           N  
HETATM   41 MG   UNL     1      -6.420  -0.465   0.050  1.00  0.00          Mg  
HETATM   42  N   UNL     1      -6.780   1.092   1.083  1.00  0.00           N  
HETATM   43  C   UNL     1      -5.907   2.113   0.926  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.874  -1.688  -3.434  1.00  0.00           C  
HETATM   45  C   UNL     1      -8.048  -1.539  -4.924  1.00  0.00           C  
HETATM   46  C   UNL     1      -8.803  -2.387  -2.509  1.00  0.00           C  
HETATM   47  C   UNL     1     -10.014  -3.019  -2.846  1.00  0.00           C  
HETATM   48  O   UNL     1     -10.394  -3.027  -4.001  1.00  0.00           O  
HETATM   49  C   UNL     1      -8.231  -2.290  -1.235  1.00  0.00           C  
HETATM   50  C   UNL     1      -8.229  -3.090  -0.076  1.00  0.00           C  
HETATM   51  C   UNL     1      -7.548  -2.892   1.125  1.00  0.00           C  
HETATM   52  N   UNL     1      -6.853  -1.725   1.392  1.00  0.00           N  
HETATM   53  C   UNL     1      -7.485  -3.560   2.353  1.00  0.00           C  
HETATM   54  C   UNL     1      -7.652  -5.043   2.567  1.00  0.00           C  
HETATM   55  C   UNL     1      -7.242  -2.617   3.337  1.00  0.00           C  
HETATM   56  C   UNL     1      -7.132  -2.884   4.816  1.00  0.00           C  
HETATM   57  C   UNL     1      -5.660  -3.067   5.193  1.00  0.00           C  
HETATM   58  C   UNL     1      -7.116  -1.368   2.710  1.00  0.00           C  
HETATM   59  C   UNL     1      -7.399  -0.064   3.117  1.00  0.00           C  
HETATM   60  C   UNL     1      -7.277   1.134   2.348  1.00  0.00           C  
HETATM   61  C   UNL     1      -7.150   2.458   2.723  1.00  0.00           C  
HETATM   62  C   UNL     1      -7.881   3.125   3.859  1.00  0.00           C  
HETATM   63  C   UNL     1      -6.208   3.087   1.850  1.00  0.00           C  
HETATM   64  C   UNL     1      -5.346   4.161   1.537  1.00  0.00           C  
HETATM   65  O   UNL     1      -5.427   5.291   1.976  1.00  0.00           O  
HETATM   66  H   UNL     1      -0.129   1.622  -1.371  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.428  -0.046  -1.917  1.00  0.00           H  
HETATM   68  H   UNL     1       3.052   0.200   1.201  1.00  0.00           H  
HETATM   69  H   UNL     1       2.746  -1.466   0.654  1.00  0.00           H  
HETATM   70  H   UNL     1       4.667   0.359  -0.950  1.00  0.00           H  
HETATM   71  H   UNL     1       6.616  -2.638  -1.272  1.00  0.00           H  
HETATM   72  H   UNL     1       6.337  -0.995  -1.899  1.00  0.00           H  
HETATM   73  H   UNL     1       4.094  -3.334   0.208  1.00  0.00           H  
HETATM   74  H   UNL     1       5.653  -3.162   1.049  1.00  0.00           H  
HETATM   75  H   UNL     1       4.241  -2.223   1.591  1.00  0.00           H  
HETATM   76  H   UNL     1       7.381  -0.041   0.137  1.00  0.00           H  
HETATM   77  H   UNL     1       7.661  -1.683   0.764  1.00  0.00           H  
HETATM   78  H   UNL     1       9.074  -2.195  -1.208  1.00  0.00           H  
HETATM   79  H   UNL     1       8.795  -0.553  -1.835  1.00  0.00           H  
HETATM   80  H   UNL     1      10.063  -1.183   0.868  1.00  0.00           H  
HETATM   81  H   UNL     1      11.462  -1.879  -1.099  1.00  0.00           H  
HETATM   82  H   UNL     1      11.360  -0.213  -1.718  1.00  0.00           H  
HETATM   83  H   UNL     1       9.794   1.402  -0.733  1.00  0.00           H  
HETATM   84  H   UNL     1       8.882   0.994   0.740  1.00  0.00           H  
HETATM   85  H   UNL     1      10.645   1.227   0.820  1.00  0.00           H  
HETATM   86  H   UNL     1      12.410   0.625   0.366  1.00  0.00           H  
HETATM   87  H   UNL     1      12.512  -1.041   0.985  1.00  0.00           H  
HETATM   88  H   UNL     1      13.946  -1.667  -0.938  1.00  0.00           H  
HETATM   89  H   UNL     1      13.845  -0.002  -1.557  1.00  0.00           H  
HETATM   90  H   UNL     1      14.945  -0.767   1.184  1.00  0.00           H  
HETATM   91  H   UNL     1      16.347  -1.576  -0.737  1.00  0.00           H  
HETATM   92  H   UNL     1      16.424   0.097  -1.341  1.00  0.00           H  
HETATM   93  H   UNL     1      14.977   1.844  -0.398  1.00  0.00           H  
HETATM   94  H   UNL     1      13.976   1.511   1.036  1.00  0.00           H  
HETATM   95  H   UNL     1      15.749   1.579   1.184  1.00  0.00           H  
HETATM   96  H   UNL     1      17.467   0.819   0.790  1.00  0.00           H  
HETATM   97  H   UNL     1      17.390  -0.854   1.394  1.00  0.00           H  
HETATM   98  H   UNL     1      18.833  -1.597  -0.481  1.00  0.00           H  
HETATM   99  H   UNL     1      18.909   0.076  -1.085  1.00  0.00           H  
HETATM  100  H   UNL     1      19.829  -0.809   1.686  1.00  0.00           H  
HETATM  101  H   UNL     1      21.433  -0.129  -0.820  1.00  0.00           H  
HETATM  102  H   UNL     1      22.115  -0.476   0.787  1.00  0.00           H  
HETATM  103  H   UNL     1      21.256  -1.751  -0.109  1.00  0.00           H  
HETATM  104  H   UNL     1      19.081   1.550   1.527  1.00  0.00           H  
HETATM  105  H   UNL     1      20.846   1.452   1.743  1.00  0.00           H  
HETATM  106  H   UNL     1      20.163   1.799   0.136  1.00  0.00           H  
HETATM  107  H   UNL     1      -1.910  -0.419   0.035  1.00  0.00           H  
HETATM  108  H   UNL     1      -1.612   1.248   0.581  1.00  0.00           H  
HETATM  109  H   UNL     1      -2.528   2.058  -1.648  1.00  0.00           H  
HETATM  110  H   UNL     1      -2.433  -0.809  -2.222  1.00  0.00           H  
HETATM  111  H   UNL     1      -3.302   3.699   1.003  1.00  0.00           H  
HETATM  112  H   UNL     1      -3.365   6.100  -2.610  1.00  0.00           H  
HETATM  113  H   UNL     1      -5.081   6.476  -2.322  1.00  0.00           H  
HETATM  114  H   UNL     1      -3.816   7.576  -1.722  1.00  0.00           H  
HETATM  115  H   UNL     1      -1.903   1.051  -3.820  1.00  0.00           H  
HETATM  116  H   UNL     1      -3.133  -0.056  -4.477  1.00  0.00           H  
HETATM  117  H   UNL     1      -3.619   1.522  -3.811  1.00  0.00           H  
HETATM  118  H   UNL     1      -5.163  -0.811  -4.004  1.00  0.00           H  
HETATM  119  H   UNL     1      -7.577  -2.381  -5.430  1.00  0.00           H  
HETATM  120  H   UNL     1      -9.111  -1.518  -5.165  1.00  0.00           H  
HETATM  121  H   UNL     1      -7.582  -0.610  -5.253  1.00  0.00           H  
HETATM  122  H   UNL     1      -8.839  -3.980  -0.124  1.00  0.00           H  
HETATM  123  H   UNL     1      -6.680  -5.532   2.495  1.00  0.00           H  
HETATM  124  H   UNL     1      -8.076  -5.222   3.555  1.00  0.00           H  
HETATM  125  H   UNL     1      -8.319  -5.447   1.806  1.00  0.00           H  
HETATM  126  H   UNL     1      -7.546  -2.042   5.369  1.00  0.00           H  
HETATM  127  H   UNL     1      -7.686  -3.790   5.064  1.00  0.00           H  
HETATM  128  H   UNL     1      -5.245  -3.910   4.639  1.00  0.00           H  
HETATM  129  H   UNL     1      -5.106  -2.161   4.944  1.00  0.00           H  
HETATM  130  H   UNL     1      -5.580  -3.260   6.262  1.00  0.00           H  
HETATM  131  H   UNL     1      -7.752   0.053   4.131  1.00  0.00           H  
HETATM  132  H   UNL     1      -7.295   3.032   4.773  1.00  0.00           H  
HETATM  133  H   UNL     1      -8.027   4.180   3.627  1.00  0.00           H  
HETATM  134  H   UNL     1      -8.850   2.646   3.999  1.00  0.00           H  
HETATM  135  H   UNL     1     -10.605  -3.497  -2.079  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   24                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   68   69                                       
CONECT    5    4    6    6   70                                       
CONECT    6    5    5    7   23                                       
CONECT    7    6    8   71   72                                       
CONECT    8    7    9   76   77                                       
CONECT    9    8   10   78   79                                       
CONECT   10    9   11   22   80                                       
CONECT   11   10   12   81   82                                       
CONECT   12   11   13   86   87                                       
CONECT   13   12   14   88   89                                       
CONECT   14   13   15   21   90                                       
CONECT   15   14   16   91   92                                       
CONECT   16   15   17   96   97                                       
CONECT   17   16   18   98   99                                       
CONECT   18   17   19   20  100                                       
CONECT   19   18  101  102  103                                       
CONECT   20   18  104  105  106                                       
CONECT   21   14   93   94   95                                       
CONECT   22   10   83   84   85                                       
CONECT   23    6   73   74   75                                       
CONECT   24    2   25   66   67                                       
CONECT   25   24   26  107  108                                       
CONECT   26   25   27   34  109                                       
CONECT   27   26   28   28   37                                       
CONECT   28   27   27   29   43                                       
CONECT   29   28   30   64  111                                       
CONECT   30   29   31   33   33                                       
CONECT   31   30   32                                                 
CONECT   32   31  112  113  114                                       
CONECT   33   30   30                                                 
CONECT   34   26   35   36  110                                       
CONECT   35   34  115  116  117                                       
CONECT   36   34   37   38   38                                       
CONECT   37   27   36   41                                            
CONECT   38   36   36   39  118                                       
CONECT   39   38   40   44   44                                       
CONECT   40   39   41   49                                            
CONECT   41   37   40   42   52                                       
CONECT   42   41   43   60                                            
CONECT   43   28   42   63   63                                       
CONECT   44   39   39   45   46                                       
CONECT   45   44  119  120  121                                       
CONECT   46   44   47   49   49                                       
CONECT   47   46   48   48  135                                       
CONECT   48   47   47                                                 
CONECT   49   40   46   46   50                                       
CONECT   50   49   51   51  122                                       
CONECT   51   50   50   52   53                                       
CONECT   52   41   51   58                                            
CONECT   53   51   54   55   55                                       
CONECT   54   53  123  124  125                                       
CONECT   55   53   53   56   58                                       
CONECT   56   55   57  126  127                                       
CONECT   57   56  128  129  130                                       
CONECT   58   52   55   59   59                                       
CONECT   59   58   58   60  131                                       
CONECT   60   42   59   61   61                                       
CONECT   61   60   60   62   63                                       
CONECT   62   61  132  133  134                                       
CONECT   63   43   43   61   64                                       
CONECT   64   29   63   65   65                                       
CONECT   65   64   64                                                 
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68    4                                                      
CONECT   69    4                                                      
CONECT   70    5                                                      
CONECT   71    7                                                      
CONECT   72    7                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   23                                                      
CONECT   76    8                                                      
CONECT   77    8                                                      
CONECT   78    9                                                      
CONECT   79    9                                                      
CONECT   80   10                                                      
CONECT   81   11                                                      
CONECT   82   11                                                      
CONECT   83   22                                                      
CONECT   84   22                                                      
CONECT   85   22                                                      
CONECT   86   12                                                      
CONECT   87   12                                                      
CONECT   88   13                                                      
CONECT   89   13                                                      
CONECT   90   14                                                      
CONECT   91   15                                                      
CONECT   92   15                                                      
CONECT   93   21                                                      
CONECT   94   21                                                      
CONECT   95   21                                                      
CONECT   96   16                                                      
CONECT   97   16                                                      
CONECT   98   17                                                      
CONECT   99   17                                                      
CONECT  100   18                                                      
CONECT  101   19                                                      
CONECT  102   19                                                      
CONECT  103   19                                                      
CONECT  104   20                                                      
CONECT  105   20                                                      
CONECT  106   20                                                      
CONECT  107   25                                                      
CONECT  108   25                                                      
CONECT  109   26                                                      
CONECT  110   34                                                      
CONECT  111   29                                                      
CONECT  112   32                                                      
CONECT  113   32                                                      
CONECT  114   32                                                      
CONECT  115   35                                                      
CONECT  116   35                                                      
CONECT  117   35                                                      
CONECT  118   38                                                      
CONECT  119   45                                                      
CONECT  120   45                                                      
CONECT  121   45                                                      
CONECT  122   50                                                      
CONECT  123   54                                                      
CONECT  124   54                                                      
CONECT  125   54                                                      
CONECT  126   56                                                      
CONECT  127   56                                                      
CONECT  128   57                                                      
CONECT  129   57                                                      
CONECT  130   57                                                      
CONECT  131   59                                                      
CONECT  132   62                                                      
CONECT  133   62                                                      
CONECT  134   62                                                      
CONECT  135   47                                                      
MASTER        0    0    0    0    0    0    0    0  135    0  135    0
END
