COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 MG   UNL     1       6.674   0.339   0.037  1.00  0.00          Mg  
HETATM    2  C   UNL     1       4.639  -1.718  -1.370  1.00  0.00           C  
HETATM    3  C   UNL     1       5.709   2.592  -1.920  1.00  0.00           C  
HETATM    4  C   UNL     1       8.780   2.303   1.379  1.00  0.00           C  
HETATM    5  C   UNL     1       7.790  -1.968   1.959  1.00  0.00           C  
HETATM    6  N   UNL     1       4.963   0.600  -0.751  1.00  0.00           N1+
HETATM    7  C   UNL     1       4.197  -0.401  -1.219  1.00  0.00           C  
HETATM    8  C   UNL     1       2.898   0.223  -1.666  1.00  0.00           C  
HETATM    9  C   UNL     1       3.237   1.744  -1.656  1.00  0.00           C  
HETATM   10  C   UNL     1       4.738   1.717  -1.462  1.00  0.00           C  
HETATM   11  C   UNL     1       2.867   2.398  -2.989  1.00  0.00           C  
HETATM   12  C   UNL     1       1.775  -0.091  -0.676  1.00  0.00           C  
HETATM   13  C   UNL     1       0.449   0.444  -1.223  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.657   0.135  -0.248  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.411  -0.453   0.779  1.00  0.00           O  
HETATM   16  O   UNL     1      -1.916   0.513  -0.520  1.00  0.00           O  
HETATM   17  N   UNL     1       7.626   1.809  -0.686  1.00  0.00           N  
HETATM   18  C   UNL     1       7.080   2.653  -1.635  1.00  0.00           C  
HETATM   19  C   UNL     1       8.174   3.418  -2.000  1.00  0.00           C  
HETATM   20  C   UNL     1       9.162   3.289  -1.000  1.00  0.00           C  
HETATM   21  C   UNL     1       8.623   2.470   0.011  1.00  0.00           C  
HETATM   22  C   UNL     1       8.292   4.247  -3.254  1.00  0.00           C  
HETATM   23  C   UNL     1      10.505   3.897  -1.011  1.00  0.00           C  
HETATM   24  C   UNL     1      11.283   3.768  -2.080  1.00  0.00           C  
HETATM   25  N   UNL     1       7.317   0.425   1.820  1.00  0.00           N1+
HETATM   26  C   UNL     1       8.098   1.423   2.254  1.00  0.00           C  
HETATM   27  C   UNL     1       8.132   1.187   3.644  1.00  0.00           C  
HETATM   28  C   UNL     1       7.834  -0.151   3.817  1.00  0.00           C  
HETATM   29  C   UNL     1       7.621  -0.682   2.524  1.00  0.00           C  
HETATM   30  C   UNL     1       8.435   2.192   4.725  1.00  0.00           C  
HETATM   31  C   UNL     1       7.753  -0.897   5.124  1.00  0.00           C  
HETATM   32  C   UNL     1       6.300  -0.932   5.602  1.00  0.00           C  
HETATM   33  N   UNL     1       6.871  -1.533  -0.201  1.00  0.00           N  
HETATM   34  C   UNL     1       7.409  -2.425   0.697  1.00  0.00           C  
HETATM   35  C   UNL     1       7.194  -3.649   0.064  1.00  0.00           C  
HETATM   36  C   UNL     1       6.156  -3.520  -0.877  1.00  0.00           C  
HETATM   37  C   UNL     1       5.893  -2.159  -0.896  1.00  0.00           C  
HETATM   38  C   UNL     1       7.957  -4.917   0.345  1.00  0.00           C  
HETATM   39  C   UNL     1       5.139  -4.061  -1.780  1.00  0.00           C  
HETATM   40  O   UNL     1       5.122  -5.176  -2.258  1.00  0.00           O  
HETATM   41  C   UNL     1       4.100  -2.960  -2.009  1.00  0.00           C  
HETATM   42  C   UNL     1       2.791  -3.344  -1.368  1.00  0.00           C  
HETATM   43  O   UNL     1       2.658  -3.259  -0.170  1.00  0.00           O  
HETATM   44  O   UNL     1       1.775  -3.782  -2.127  1.00  0.00           O  
HETATM   45  C   UNL     1       0.544  -4.134  -1.441  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.931   0.182   0.465  1.00  0.00           C  
HETATM   47  C   UNL     1      -4.272   0.681  -0.009  1.00  0.00           C  
HETATM   48  C   UNL     1      -5.069   1.305   0.823  1.00  0.00           C  
HETATM   49  C   UNL     1      -4.704   1.411   2.281  1.00  0.00           C  
HETATM   50  C   UNL     1      -6.351   1.917   0.320  1.00  0.00           C  
HETATM   51  C   UNL     1      -7.503   0.932   0.529  1.00  0.00           C  
HETATM   52  C   UNL     1      -8.805   1.553   0.020  1.00  0.00           C  
HETATM   53  C   UNL     1      -9.956   0.568   0.228  1.00  0.00           C  
HETATM   54  C   UNL     1      -9.732  -0.671  -0.641  1.00  0.00           C  
HETATM   55  C   UNL     1     -11.276   1.234  -0.165  1.00  0.00           C  
HETATM   56  C   UNL     1     -12.439   0.295   0.160  1.00  0.00           C  
HETATM   57  C   UNL     1     -13.759   0.962  -0.234  1.00  0.00           C  
HETATM   58  C   UNL     1     -14.922   0.023   0.091  1.00  0.00           C  
HETATM   59  C   UNL     1     -14.825  -1.230  -0.781  1.00  0.00           C  
HETATM   60  C   UNL     1     -16.246   0.736  -0.185  1.00  0.00           C  
HETATM   61  C   UNL     1     -17.408  -0.156   0.256  1.00  0.00           C  
HETATM   62  C   UNL     1     -18.733   0.558  -0.021  1.00  0.00           C  
HETATM   63  C   UNL     1     -19.895  -0.334   0.421  1.00  0.00           C  
HETATM   64  C   UNL     1     -19.846  -0.521   1.939  1.00  0.00           C  
HETATM   65  C   UNL     1     -21.220   0.324   0.031  1.00  0.00           C  
HETATM   66  H   UNL     1       5.353   3.347  -2.605  1.00  0.00           H  
HETATM   67  H   UNL     1       9.527   2.932   1.841  1.00  0.00           H  
HETATM   68  H   UNL     1       8.279  -2.694   2.591  1.00  0.00           H  
HETATM   69  H   UNL     1       1.799   2.279  -3.167  1.00  0.00           H  
HETATM   70  H   UNL     1       3.114   3.459  -2.954  1.00  0.00           H  
HETATM   71  H   UNL     1       3.425   1.921  -3.794  1.00  0.00           H  
HETATM   72  H   UNL     1       1.702  -1.170  -0.539  1.00  0.00           H  
HETATM   73  H   UNL     1       1.991   0.384   0.281  1.00  0.00           H  
HETATM   74  H   UNL     1       0.522   1.523  -1.360  1.00  0.00           H  
HETATM   75  H   UNL     1       0.233  -0.030  -2.180  1.00  0.00           H  
HETATM   76  H   UNL     1       7.922   5.253  -3.059  1.00  0.00           H  
HETATM   77  H   UNL     1       9.337   4.296  -3.560  1.00  0.00           H  
HETATM   78  H   UNL     1       7.702   3.790  -4.048  1.00  0.00           H  
HETATM   79  H   UNL     1      10.855   4.448  -0.151  1.00  0.00           H  
HETATM   80  H   UNL     1      10.933   3.217  -2.941  1.00  0.00           H  
HETATM   81  H   UNL     1      12.267   4.213  -2.089  1.00  0.00           H  
HETATM   82  H   UNL     1       7.509   2.666   5.050  1.00  0.00           H  
HETATM   83  H   UNL     1       8.901   1.687   5.571  1.00  0.00           H  
HETATM   84  H   UNL     1       9.114   2.951   4.336  1.00  0.00           H  
HETATM   85  H   UNL     1       8.114  -1.916   4.984  1.00  0.00           H  
HETATM   86  H   UNL     1       8.369  -0.393   5.869  1.00  0.00           H  
HETATM   87  H   UNL     1       5.685  -1.436   4.858  1.00  0.00           H  
HETATM   88  H   UNL     1       6.242  -1.471   6.548  1.00  0.00           H  
HETATM   89  H   UNL     1       5.940   0.087   5.743  1.00  0.00           H  
HETATM   90  H   UNL     1       7.455  -5.476   1.136  1.00  0.00           H  
HETATM   91  H   UNL     1       7.998  -5.524  -0.559  1.00  0.00           H  
HETATM   92  H   UNL     1       8.970  -4.669   0.663  1.00  0.00           H  
HETATM   93  H   UNL     1       3.958  -2.798  -3.078  1.00  0.00           H  
HETATM   94  H   UNL     1       0.742  -4.934  -0.728  1.00  0.00           H  
HETATM   95  H   UNL     1       0.160  -3.261  -0.912  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.194  -4.471  -2.170  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.971  -0.900   0.595  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.683   0.653   1.416  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.575   0.524  -1.033  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.045   2.266   2.429  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.609   1.543   2.874  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.194   0.500   2.595  1.00  0.00           H  
HETATM  103  H   UNL     1      -6.555   2.836   0.871  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.255   2.143  -0.741  1.00  0.00           H  
HETATM  105  H   UNL     1      -7.299   0.013  -0.021  1.00  0.00           H  
HETATM  106  H   UNL     1      -7.600   0.706   1.591  1.00  0.00           H  
HETATM  107  H   UNL     1      -9.009   2.472   0.570  1.00  0.00           H  
HETATM  108  H   UNL     1      -8.708   1.779  -1.042  1.00  0.00           H  
HETATM  109  H   UNL     1      -9.997   0.273   1.277  1.00  0.00           H  
HETATM  110  H   UNL     1      -9.691  -0.377  -1.690  1.00  0.00           H  
HETATM  111  H   UNL     1      -8.792  -1.146  -0.361  1.00  0.00           H  
HETATM  112  H   UNL     1     -10.552  -1.373  -0.492  1.00  0.00           H  
HETATM  113  H   UNL     1     -11.393   2.164   0.391  1.00  0.00           H  
HETATM  114  H   UNL     1     -11.270   1.449  -1.234  1.00  0.00           H  
HETATM  115  H   UNL     1     -12.322  -0.635  -0.396  1.00  0.00           H  
HETATM  116  H   UNL     1     -12.445   0.081   1.229  1.00  0.00           H  
HETATM  117  H   UNL     1     -13.876   1.892   0.323  1.00  0.00           H  
HETATM  118  H   UNL     1     -13.753   1.176  -1.303  1.00  0.00           H  
HETATM  119  H   UNL     1     -14.875  -0.262   1.143  1.00  0.00           H  
HETATM  120  H   UNL     1     -13.881  -1.739  -0.584  1.00  0.00           H  
HETATM  121  H   UNL     1     -15.654  -1.899  -0.550  1.00  0.00           H  
HETATM  122  H   UNL     1     -14.871  -0.945  -1.832  1.00  0.00           H  
HETATM  123  H   UNL     1     -16.277   1.674   0.369  1.00  0.00           H  
HETATM  124  H   UNL     1     -16.332   0.942  -1.252  1.00  0.00           H  
HETATM  125  H   UNL     1     -17.378  -1.094  -0.298  1.00  0.00           H  
HETATM  126  H   UNL     1     -17.323  -0.362   1.323  1.00  0.00           H  
HETATM  127  H   UNL     1     -18.764   1.496   0.534  1.00  0.00           H  
HETATM  128  H   UNL     1     -18.819   0.764  -1.087  1.00  0.00           H  
HETATM  129  H   UNL     1     -19.814  -1.305  -0.067  1.00  0.00           H  
HETATM  130  H   UNL     1     -19.927   0.450   2.428  1.00  0.00           H  
HETATM  131  H   UNL     1     -20.674  -1.157   2.254  1.00  0.00           H  
HETATM  132  H   UNL     1     -18.902  -0.990   2.217  1.00  0.00           H  
HETATM  133  H   UNL     1     -21.255   0.457  -1.050  1.00  0.00           H  
HETATM  134  H   UNL     1     -22.048  -0.311   0.346  1.00  0.00           H  
HETATM  135  H   UNL     1     -21.301   1.295   0.520  1.00  0.00           H  
HETATM  136  H   UNL     1       2.635  -0.108  -2.671  1.00  0.00           H  
HETATM  137  H   UNL     1       2.744   2.248  -0.825  1.00  0.00           H  
CONECT    1    6   17   25   33                                       
CONECT    2    7   37   37   41                                       
CONECT    3   10   10   18   66                                       
CONECT    4   21   26   26   67                                       
CONECT    5   29   34   34   68                                       
CONECT    6    1    7    7   10                                       
CONECT    7    2    6    6    8                                       
CONECT    8    7    9   12  136                                       
CONECT    9    8   10   11  137                                       
CONECT   10    3    3    6    9                                       
CONECT   11    9   69   70   71                                       
CONECT   12    8   13   72   73                                       
CONECT   13   12   14   74   75                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   46                                                 
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   76   77   78                                       
CONECT   23   20   24   24   79                                       
CONECT   24   23   23   80   81                                       
CONECT   25    1   26   29   29                                       
CONECT   26    4    4   25   27                                       
CONECT   27   26   28   28   30                                       
CONECT   28   27   27   29   31                                       
CONECT   29    5   25   25   28                                       
CONECT   30   27   82   83   84                                       
CONECT   31   28   32   85   86                                       
CONECT   32   31   87   88   89                                       
CONECT   33    1   34   37                                            
CONECT   34    5    5   33   35                                       
CONECT   35   34   36   36   38                                       
CONECT   36   35   35   37   39                                       
CONECT   37    2    2   33   36                                       
CONECT   38   35   90   91   92                                       
CONECT   39   36   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41    2   39   42   93                                       
CONECT   42   41   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   45                                                 
CONECT   45   44   94   95   96                                       
CONECT   46   16   47   97   98                                       
CONECT   47   46   48   48   99                                       
CONECT   48   47   47   49   50                                       
CONECT   49   48  100  101  102                                       
CONECT   50   48   51  103  104                                       
CONECT   51   50   52  105  106                                       
CONECT   52   51   53  107  108                                       
CONECT   53   52   54   55  109                                       
CONECT   54   53  110  111  112                                       
CONECT   55   53   56  113  114                                       
CONECT   56   55   57  115  116                                       
CONECT   57   56   58  117  118                                       
CONECT   58   57   59   60  119                                       
CONECT   59   58  120  121  122                                       
CONECT   60   58   61  123  124                                       
CONECT   61   60   62  125  126                                       
CONECT   62   61   63  127  128                                       
CONECT   63   62   64   65  129                                       
CONECT   64   63  130  131  132                                       
CONECT   65   63  133  134  135                                       
CONECT   66    3                                                      
CONECT   67    4                                                      
CONECT   68    5                                                      
CONECT   69   11                                                      
CONECT   70   11                                                      
CONECT   71   11                                                      
CONECT   72   12                                                      
CONECT   73   12                                                      
CONECT   74   13                                                      
CONECT   75   13                                                      
CONECT   76   22                                                      
CONECT   77   22                                                      
CONECT   78   22                                                      
CONECT   79   23                                                      
CONECT   80   24                                                      
CONECT   81   24                                                      
CONECT   82   30                                                      
CONECT   83   30                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   32                                                      
CONECT   89   32                                                      
CONECT   90   38                                                      
CONECT   91   38                                                      
CONECT   92   38                                                      
CONECT   93   41                                                      
CONECT   94   45                                                      
CONECT   95   45                                                      
CONECT   96   45                                                      
CONECT   97   46                                                      
CONECT   98   46                                                      
CONECT   99   47                                                      
CONECT  100   49                                                      
CONECT  101   49                                                      
CONECT  102   49                                                      
CONECT  103   50                                                      
CONECT  104   50                                                      
CONECT  105   51                                                      
CONECT  106   51                                                      
CONECT  107   52                                                      
CONECT  108   52                                                      
CONECT  109   53                                                      
CONECT  110   54                                                      
CONECT  111   54                                                      
CONECT  112   54                                                      
CONECT  113   55                                                      
CONECT  114   55                                                      
CONECT  115   56                                                      
CONECT  116   56                                                      
CONECT  117   57                                                      
CONECT  118   57                                                      
CONECT  119   58                                                      
CONECT  120   59                                                      
CONECT  121   59                                                      
CONECT  122   59                                                      
CONECT  123   60                                                      
CONECT  124   60                                                      
CONECT  125   61                                                      
CONECT  126   61                                                      
CONECT  127   62                                                      
CONECT  128   62                                                      
CONECT  129   63                                                      
CONECT  130   64                                                      
CONECT  131   64                                                      
CONECT  132   64                                                      
CONECT  133   65                                                      
CONECT  134   65                                                      
CONECT  135   65                                                      
CONECT  136    8                                                      
CONECT  137    9                                                      
MASTER        0    0    0    0    0    0    0    0  137    0  137    0
END
