COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 MG   UNL     1      41.707  47.680  22.121  1.00  0.00          Mg2+
HETATM    2  C   UNL     1      38.575  48.897  22.425  1.00  0.00           C  
HETATM    3  C   UNL     1      42.547  50.559  20.576  1.00  0.00           C  
HETATM    4  C   UNL     1      44.968  47.023  22.877  1.00  0.00           C  
HETATM    5  C   UNL     1      40.832  45.174  24.432  1.00  0.00           C  
HETATM    6  N   UNL     1      40.684  49.374  21.459  1.00  0.00           N  
HETATM    7  C   UNL     1      39.344  49.683  21.640  1.00  0.00           C  
HETATM    8  C   UNL     1      38.995  51.096  21.157  1.00  0.00           C  
HETATM    9  C   UNL     1      40.214  51.397  20.201  1.00  0.00           C  
HETATM   10  C   UNL     1      41.197  50.400  20.779  1.00  0.00           C  
HETATM   11  C   UNL     1      39.891  50.869  18.799  1.00  0.00           C  
HETATM   12  C   UNL     1      38.821  52.038  22.331  1.00  0.00           C  
HETATM   13  C   UNL     1      40.075  52.291  23.124  1.00  0.00           C  
HETATM   14  C   UNL     1      39.808  53.348  24.186  1.00  0.00           C  
HETATM   15  O   UNL     1      38.921  54.061  24.226  1.00  0.00           O  
HETATM   16  O   UNL     1      40.689  53.503  25.048  1.00  0.00           O  
HETATM   17  N   UNL     1      43.434  48.539  21.744  1.00  0.00           N1-
HETATM   18  C   UNL     1      43.563  49.733  21.089  1.00  0.00           C  
HETATM   19  C   UNL     1      44.903  50.042  21.015  1.00  0.00           C  
HETATM   20  C   UNL     1      45.602  49.064  21.609  1.00  0.00           C  
HETATM   21  C   UNL     1      44.681  48.126  22.137  1.00  0.00           C  
HETATM   22  C   UNL     1      45.415  51.190  20.192  1.00  0.00           C  
HETATM   23  C   UNL     1      47.100  49.137  21.895  1.00  0.00           C  
HETATM   24  O   UNL     1      47.641  48.355  22.585  1.00  0.00           O  
HETATM   25  C   UNL     1      48.031  50.021  21.111  1.00  0.00           C  
HETATM   26  N   UNL     1      42.646  46.268  23.293  1.00  0.00           N  
HETATM   27  C   UNL     1      43.992  46.205  23.465  1.00  0.00           C  
HETATM   28  C   UNL     1      44.410  45.044  24.336  1.00  0.00           C  
HETATM   29  C   UNL     1      43.166  44.254  24.546  1.00  0.00           C  
HETATM   30  C   UNL     1      42.149  45.334  24.158  1.00  0.00           C  
HETATM   31  C   UNL     1      45.287  44.103  23.541  1.00  0.00           C  
HETATM   32  C   UNL     1      43.178  44.010  26.059  1.00  0.00           C  
HETATM   33  C   UNL     1      42.917  45.263  26.909  1.00  0.00           C  
HETATM   34  N   UNL     1      40.166  47.108  23.164  1.00  0.00           N1-
HETATM   35  C   UNL     1      39.876  46.122  24.089  1.00  0.00           C  
HETATM   36  C   UNL     1      38.509  46.010  24.394  1.00  0.00           C  
HETATM   37  C   UNL     1      37.978  47.011  23.690  1.00  0.00           C  
HETATM   38  C   UNL     1      38.992  47.684  23.013  1.00  0.00           C  
HETATM   39  C   UNL     1      37.802  44.889  25.099  1.00  0.00           C  
HETATM   40  C   UNL     1      36.731  47.838  23.628  1.00  0.00           C  
HETATM   41  O   UNL     1      35.496  47.526  23.900  1.00  0.00           O  
HETATM   42  C   UNL     1      37.099  49.129  22.796  1.00  0.00           C  
HETATM   43  C   UNL     1      36.223  49.030  21.522  1.00  0.00           C  
HETATM   44  O   UNL     1      35.972  48.085  21.001  1.00  0.00           O  
HETATM   45  O   UNL     1      35.881  50.068  20.906  1.00  0.00           O  
HETATM   46  C   UNL     1      35.647  49.778  19.424  1.00  0.00           C  
HETATM   47  C   UNL     1      40.458  54.391  26.198  1.00  0.00           C  
HETATM   48  C   UNL     1      40.550  53.651  27.525  1.00  0.00           C  
HETATM   49  C   UNL     1      41.638  53.614  28.270  1.00  0.00           C  
HETATM   50  C   UNL     1      42.917  54.259  27.830  1.00  0.00           C  
HETATM   51  C   UNL     1      41.720  52.859  29.618  1.00  0.00           C  
HETATM   52  C   UNL     1      41.016  51.487  29.492  1.00  0.00           C  
HETATM   53  C   UNL     1      40.742  51.034  30.929  1.00  0.00           C  
HETATM   54  C   UNL     1      40.642  49.541  31.084  1.00  0.00           C  
HETATM   55  C   UNL     1      41.139  48.768  29.863  1.00  0.00           C  
HETATM   56  C   UNL     1      39.177  49.291  31.263  1.00  0.00           C  
HETATM   57  C   UNL     1      38.978  49.007  32.703  1.00  0.00           C  
HETATM   58  C   UNL     1      37.477  49.127  32.881  1.00  0.00           C  
HETATM   59  C   UNL     1      37.203  49.277  34.381  1.00  0.00           C  
HETATM   60  C   UNL     1      37.582  47.952  35.048  1.00  0.00           C  
HETATM   61  C   UNL     1      35.746  49.588  34.636  1.00  0.00           C  
HETATM   62  C   UNL     1      35.513  50.923  33.995  1.00  0.00           C  
HETATM   63  C   UNL     1      34.173  51.431  34.475  1.00  0.00           C  
HETATM   64  C   UNL     1      34.070  52.954  34.420  1.00  0.00           C  
HETATM   65  C   UNL     1      33.035  53.320  35.451  1.00  0.00           C  
HETATM   66  C   UNL     1      33.515  53.424  33.060  1.00  0.00           C  
HETATM   67  H   UNL     1      42.856  51.395  19.966  1.00  0.00           H  
HETATM   68  H   UNL     1      46.006  46.762  23.021  1.00  0.00           H  
HETATM   69  H   UNL     1      40.513  44.274  24.937  1.00  0.00           H  
HETATM   70  H   UNL     1      38.071  51.065  20.562  1.00  0.00           H  
HETATM   71  H   UNL     1      40.550  52.444  20.228  1.00  0.00           H  
HETATM   72  H   UNL     1      40.736  51.075  18.125  1.00  0.00           H  
HETATM   73  H   UNL     1      39.716  49.784  18.847  1.00  0.00           H  
HETATM   74  H   UNL     1      38.988  51.369  18.418  1.00  0.00           H  
HETATM   75  H   UNL     1      38.458  53.002  21.946  1.00  0.00           H  
HETATM   76  H   UNL     1      38.068  51.607  23.008  1.00  0.00           H  
HETATM   77  H   UNL     1      40.395  51.357  23.610  1.00  0.00           H  
HETATM   78  H   UNL     1      40.869  52.644  22.449  1.00  0.00           H  
HETATM   79  H   UNL     1      46.510  51.247  20.282  1.00  0.00           H  
HETATM   80  H   UNL     1      45.142  51.036  19.138  1.00  0.00           H  
HETATM   81  H   UNL     1      44.968  52.128  20.553  1.00  0.00           H  
HETATM   82  H   UNL     1      49.073  49.755  21.344  1.00  0.00           H  
HETATM   83  H   UNL     1      47.849  49.882  20.035  1.00  0.00           H  
HETATM   84  H   UNL     1      47.852  51.072  21.381  1.00  0.00           H  
HETATM   85  H   UNL     1      44.879  45.367  25.277  1.00  0.00           H  
HETATM   86  H   UNL     1      43.096  43.336  23.944  1.00  0.00           H  
HETATM   87  H   UNL     1      45.590  43.258  24.177  1.00  0.00           H  
HETATM   88  H   UNL     1      44.727  43.725  22.673  1.00  0.00           H  
HETATM   89  H   UNL     1      46.182  44.641  23.194  1.00  0.00           H  
HETATM   90  H   UNL     1      42.401  43.268  26.293  1.00  0.00           H  
HETATM   91  H   UNL     1      44.164  43.607  26.334  1.00  0.00           H  
HETATM   92  H   UNL     1      42.944  44.995  27.976  1.00  0.00           H  
HETATM   93  H   UNL     1      43.692  46.015  26.700  1.00  0.00           H  
HETATM   94  H   UNL     1      41.928  45.676  26.660  1.00  0.00           H  
HETATM   95  H   UNL     1      36.729  45.121  25.174  1.00  0.00           H  
HETATM   96  H   UNL     1      37.937  43.956  24.532  1.00  0.00           H  
HETATM   97  H   UNL     1      38.222  44.768  26.108  1.00  0.00           H  
HETATM   98  H   UNL     1      36.934  50.058  23.361  1.00  0.00           H  
HETATM   99  H   UNL     1      35.349  50.704  18.911  1.00  0.00           H  
HETATM  100  H   UNL     1      36.574  49.392  18.975  1.00  0.00           H  
HETATM  101  H   UNL     1      34.849  49.028  19.319  1.00  0.00           H  
HETATM  102  H   UNL     1      41.214  55.190  26.185  1.00  0.00           H  
HETATM  103  H   UNL     1      39.455  54.833  26.108  1.00  0.00           H  
HETATM  104  H   UNL     1      39.674  53.126  27.877  1.00  0.00           H  
HETATM  105  H   UNL     1      43.689  54.107  28.599  1.00  0.00           H  
HETATM  106  H   UNL     1      43.249  53.807  26.883  1.00  0.00           H  
HETATM  107  H   UNL     1      42.753  55.337  27.684  1.00  0.00           H  
HETATM  108  H   UNL     1      42.775  52.705  29.887  1.00  0.00           H  
HETATM  109  H   UNL     1      41.225  53.453  30.400  1.00  0.00           H  
HETATM  110  H   UNL     1      40.073  51.589  28.935  1.00  0.00           H  
HETATM  111  H   UNL     1      41.669  50.765  28.979  1.00  0.00           H  
HETATM  112  H   UNL     1      41.560  51.396  31.569  1.00  0.00           H  
HETATM  113  H   UNL     1      39.793  51.482  31.259  1.00  0.00           H  
HETATM  114  H   UNL     1      41.194  49.217  31.979  1.00  0.00           H  
HETATM  115  H   UNL     1      41.037  47.688  30.046  1.00  0.00           H  
HETATM  116  H   UNL     1      40.542  49.049  28.983  1.00  0.00           H  
HETATM  117  H   UNL     1      42.196  49.011  29.681  1.00  0.00           H  
HETATM  118  H   UNL     1      38.600  50.179  30.966  1.00  0.00           H  
HETATM  119  H   UNL     1      38.861  48.429  30.657  1.00  0.00           H  
HETATM  120  H   UNL     1      39.325  47.994  32.956  1.00  0.00           H  
HETATM  121  H   UNL     1      39.508  49.742  33.326  1.00  0.00           H  
HETATM  122  H   UNL     1      37.104  50.009  32.341  1.00  0.00           H  
HETATM  123  H   UNL     1      36.980  48.224  32.497  1.00  0.00           H  
HETATM  124  H   UNL     1      37.830  50.084  34.788  1.00  0.00           H  
HETATM  125  H   UNL     1      37.399  48.020  36.131  1.00  0.00           H  
HETATM  126  H   UNL     1      36.973  47.140  34.624  1.00  0.00           H  
HETATM  127  H   UNL     1      38.647  47.743  34.869  1.00  0.00           H  
HETATM  128  H   UNL     1      35.102  48.822  34.179  1.00  0.00           H  
HETATM  129  H   UNL     1      35.545  49.638  35.716  1.00  0.00           H  
HETATM  130  H   UNL     1      36.308  51.624  34.289  1.00  0.00           H  
HETATM  131  H   UNL     1      35.504  50.817  32.900  1.00  0.00           H  
HETATM  132  H   UNL     1      33.385  51.001  33.840  1.00  0.00           H  
HETATM  133  H   UNL     1      34.024  51.105  35.515  1.00  0.00           H  
HETATM  134  H   UNL     1      35.040  53.427  34.635  1.00  0.00           H  
HETATM  135  H   UNL     1      32.905  54.412  35.469  1.00  0.00           H  
HETATM  136  H   UNL     1      32.078  52.841  35.196  1.00  0.00           H  
HETATM  137  H   UNL     1      33.366  52.973  36.441  1.00  0.00           H  
HETATM  138  H   UNL     1      33.452  54.522  33.049  1.00  0.00           H  
HETATM  139  H   UNL     1      34.184  53.087  32.255  1.00  0.00           H  
HETATM  140  H   UNL     1      32.513  52.998  32.906  1.00  0.00           H  
CONECT    1    6   17   26   34                                       
CONECT    2    7   38   38   42                                       
CONECT    3   10   10   18   67                                       
CONECT    4   21   27   27   68                                       
CONECT    5   30   35   35   69                                       
CONECT    6    1    7    7   10                                       
CONECT    7    2    6    6    8                                       
CONECT    8    7    9   12   70                                       
CONECT    9    8   10   11   71                                       
CONECT   10    3    3    6    9                                       
CONECT   11    9   72   73   74                                       
CONECT   12    8   13   75   76                                       
CONECT   13   12   14   77   78                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   47                                                 
CONECT   17    1   18   21                                            
CONECT   18    3   17   19   19                                       
CONECT   19   18   18   20   22                                       
CONECT   20   19   21   21   23                                       
CONECT   21    4   17   20   20                                       
CONECT   22   19   79   80   81                                       
CONECT   23   20   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   82   83   84                                       
CONECT   26    1   27   30   30                                       
CONECT   27    4    4   26   28                                       
CONECT   28   27   29   31   85                                       
CONECT   29   28   30   32   86                                       
CONECT   30    5   26   26   29                                       
CONECT   31   28   87   88   89                                       
CONECT   32   29   33   90   91                                       
CONECT   33   32   92   93   94                                       
CONECT   34    1   35   38                                            
CONECT   35    5    5   34   36                                       
CONECT   36   35   37   37   39                                       
CONECT   37   36   36   38   40                                       
CONECT   38    2    2   34   37                                       
CONECT   39   36   95   96   97                                       
CONECT   40   37   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42    2   40   43   98                                       
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   46                                                 
CONECT   46   45   99  100  101                                       
CONECT   47   16   48  102  103                                       
CONECT   48   47   49   49  104                                       
CONECT   49   48   48   50   51                                       
CONECT   50   49  105  106  107                                       
CONECT   51   49   52  108  109                                       
CONECT   52   51   53  110  111                                       
CONECT   53   52   54  112  113                                       
CONECT   54   53   55   56  114                                       
CONECT   55   54  115  116  117                                       
CONECT   56   54   57  118  119                                       
CONECT   57   56   58  120  121                                       
CONECT   58   57   59  122  123                                       
CONECT   59   58   60   61  124                                       
CONECT   60   59  125  126  127                                       
CONECT   61   59   62  128  129                                       
CONECT   62   61   63  130  131                                       
CONECT   63   62   64  132  133                                       
CONECT   64   63   65   66  134                                       
CONECT   65   64  135  136  137                                       
CONECT   66   64  138  139  140                                       
CONECT   67    3                                                      
CONECT   68    4                                                      
CONECT   69    5                                                      
CONECT   70    8                                                      
CONECT   71    9                                                      
CONECT   72   11                                                      
CONECT   73   11                                                      
CONECT   74   11                                                      
CONECT   75   12                                                      
CONECT   76   12                                                      
CONECT   77   13                                                      
CONECT   78   13                                                      
CONECT   79   22                                                      
CONECT   80   22                                                      
CONECT   81   22                                                      
CONECT   82   25                                                      
CONECT   83   25                                                      
CONECT   84   25                                                      
CONECT   85   28                                                      
CONECT   86   29                                                      
CONECT   87   31                                                      
CONECT   88   31                                                      
CONECT   89   31                                                      
CONECT   90   32                                                      
CONECT   91   32                                                      
CONECT   92   33                                                      
CONECT   93   33                                                      
CONECT   94   33                                                      
CONECT   95   39                                                      
CONECT   96   39                                                      
CONECT   97   39                                                      
CONECT   98   42                                                      
CONECT   99   46                                                      
CONECT  100   46                                                      
CONECT  101   46                                                      
CONECT  102   47                                                      
CONECT  103   47                                                      
CONECT  104   48                                                      
CONECT  105   50                                                      
CONECT  106   50                                                      
CONECT  107   50                                                      
CONECT  108   51                                                      
CONECT  109   51                                                      
CONECT  110   52                                                      
CONECT  111   52                                                      
CONECT  112   53                                                      
CONECT  113   53                                                      
CONECT  114   54                                                      
CONECT  115   55                                                      
CONECT  116   55                                                      
CONECT  117   55                                                      
CONECT  118   56                                                      
CONECT  119   56                                                      
CONECT  120   57                                                      
CONECT  121   57                                                      
CONECT  122   58                                                      
CONECT  123   58                                                      
CONECT  124   59                                                      
CONECT  125   60                                                      
CONECT  126   60                                                      
CONECT  127   60                                                      
CONECT  128   61                                                      
CONECT  129   61                                                      
CONECT  130   62                                                      
CONECT  131   62                                                      
CONECT  132   63                                                      
CONECT  133   63                                                      
CONECT  134   64                                                      
CONECT  135   65                                                      
CONECT  136   65                                                      
CONECT  137   65                                                      
CONECT  138   66                                                      
CONECT  139   66                                                      
CONECT  140   66                                                      
MASTER        0    0    0    0    0    0    0    0  140    0  140    0
END
