COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 MG   UNL     1       6.604   0.220  -0.070  1.00  0.00          Mg  
HETATM    2  C   UNL     1       4.043  -1.612   0.607  1.00  0.00           C  
HETATM    3  C   UNL     1       4.730   2.742  -0.181  1.00  0.00           C  
HETATM    4  C   UNL     1       9.114   2.033  -0.712  1.00  0.00           C  
HETATM    5  C   UNL     1       8.512  -2.326   0.079  1.00  0.00           C  
HETATM    6  N   UNL     1       4.779   0.352  -0.604  1.00  0.00           N1+
HETATM    7  C   UNL     1       3.847  -0.565  -0.299  1.00  0.00           C  
HETATM    8  C   UNL     1       2.575  -0.134  -0.988  1.00  0.00           C  
HETATM    9  C   UNL     1       2.913   1.320  -1.432  1.00  0.00           C  
HETATM   10  C   UNL     1       4.213   1.565  -0.696  1.00  0.00           C  
HETATM   11  C   UNL     1       3.117   1.398  -2.947  1.00  0.00           C  
HETATM   12  C   UNL     1       1.396  -0.145  -0.012  1.00  0.00           C  
HETATM   13  C   UNL     1       0.105   0.174  -0.768  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.055   0.163   0.193  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.869  -0.075   1.363  1.00  0.00           O  
HETATM   16  O   UNL     1      -2.296   0.419  -0.250  1.00  0.00           O  
HETATM   17  N   UNL     1       6.964   2.023   0.377  1.00  0.00           N  
HETATM   18  C   UNL     1       5.980   3.001   0.398  1.00  0.00           C  
HETATM   19  C   UNL     1       6.643   4.056   0.989  1.00  0.00           C  
HETATM   20  C   UNL     1       8.040   3.816   0.872  1.00  0.00           C  
HETATM   21  C   UNL     1       8.186   2.618   0.154  1.00  0.00           C  
HETATM   22  C   UNL     1       6.001   5.253   1.642  1.00  0.00           C  
HETATM   23  C   UNL     1       9.118   4.656   1.398  1.00  0.00           C  
HETATM   24  O   UNL     1       9.522   5.601   0.752  1.00  0.00           O  
HETATM   25  C   UNL     1       9.726   4.348   2.742  1.00  0.00           C  
HETATM   26  N   UNL     1       8.192  -0.170  -1.049  1.00  0.00           N1+
HETATM   27  C   UNL     1       9.076   0.781  -1.318  1.00  0.00           C  
HETATM   28  C   UNL     1       9.988   0.116  -2.323  1.00  0.00           C  
HETATM   29  C   UNL     1       9.901  -1.358  -1.900  1.00  0.00           C  
HETATM   30  C   UNL     1       8.800  -1.364  -0.909  1.00  0.00           C  
HETATM   31  C   UNL     1       9.464   0.308  -3.748  1.00  0.00           C  
HETATM   32  C   UNL     1      10.635  -2.382  -2.322  1.00  0.00           C  
HETATM   33  C   UNL     1      11.717  -2.160  -3.347  1.00  0.00           C  
HETATM   34  N   UNL     1       6.533  -1.361   0.969  1.00  0.00           N  
HETATM   35  C   UNL     1       7.448  -2.382   0.983  1.00  0.00           C  
HETATM   36  C   UNL     1       6.850  -3.313   1.828  1.00  0.00           C  
HETATM   37  C   UNL     1       5.462  -3.090   1.865  1.00  0.00           C  
HETATM   38  C   UNL     1       5.304  -1.904   1.166  1.00  0.00           C  
HETATM   39  C   UNL     1       7.578  -4.393   2.586  1.00  0.00           C  
HETATM   40  C   UNL     1       4.081  -3.483   2.159  1.00  0.00           C  
HETATM   41  O   UNL     1       3.727  -4.325   2.957  1.00  0.00           O  
HETATM   42  C   UNL     1       3.168  -2.631   1.271  1.00  0.00           C  
HETATM   43  C   UNL     1       2.505  -3.498   0.232  1.00  0.00           C  
HETATM   44  O   UNL     1       2.721  -3.307  -0.941  1.00  0.00           O  
HETATM   45  O   UNL     1       1.673  -4.482   0.610  1.00  0.00           O  
HETATM   46  C   UNL     1       1.070  -5.276  -0.445  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.366   0.392   0.732  1.00  0.00           C  
HETATM   48  C   UNL     1      -4.677   0.699   0.056  1.00  0.00           C  
HETATM   49  C   UNL     1      -5.520   1.535   0.610  1.00  0.00           C  
HETATM   50  C   UNL     1      -5.238   2.090   1.983  1.00  0.00           C  
HETATM   51  C   UNL     1      -6.771   1.941  -0.124  1.00  0.00           C  
HETATM   52  C   UNL     1      -7.933   1.048   0.315  1.00  0.00           C  
HETATM   53  C   UNL     1      -9.204   1.461  -0.431  1.00  0.00           C  
HETATM   54  C   UNL     1     -10.366   0.567   0.009  1.00  0.00           C  
HETATM   55  C   UNL     1     -10.092  -0.874  -0.424  1.00  0.00           C  
HETATM   56  C   UNL     1     -11.661   1.059  -0.642  1.00  0.00           C  
HETATM   57  C   UNL     1     -12.841   0.245  -0.107  1.00  0.00           C  
HETATM   58  C   UNL     1     -14.135   0.736  -0.757  1.00  0.00           C  
HETATM   59  C   UNL     1     -15.315  -0.078  -0.222  1.00  0.00           C  
HETATM   60  C   UNL     1     -15.170  -1.536  -0.661  1.00  0.00           C  
HETATM   61  C   UNL     1     -16.622   0.494  -0.776  1.00  0.00           C  
HETATM   62  C   UNL     1     -17.808  -0.239  -0.145  1.00  0.00           C  
HETATM   63  C   UNL     1     -19.114   0.332  -0.699  1.00  0.00           C  
HETATM   64  C   UNL     1     -20.300  -0.401  -0.068  1.00  0.00           C  
HETATM   65  C   UNL     1     -20.336  -0.112   1.435  1.00  0.00           C  
HETATM   66  C   UNL     1     -21.600   0.083  -0.712  1.00  0.00           C  
HETATM   67  H   UNL     1       4.067   3.593  -0.234  1.00  0.00           H  
HETATM   68  H   UNL     1       9.980   2.636  -0.942  1.00  0.00           H  
HETATM   69  H   UNL     1       9.217  -3.142   0.147  1.00  0.00           H  
HETATM   70  H   UNL     1       2.369  -0.766  -1.853  1.00  0.00           H  
HETATM   71  H   UNL     1       2.141   2.018  -1.107  1.00  0.00           H  
HETATM   72  H   UNL     1       2.205   1.082  -3.453  1.00  0.00           H  
HETATM   73  H   UNL     1       3.351   2.425  -3.229  1.00  0.00           H  
HETATM   74  H   UNL     1       3.939   0.745  -3.237  1.00  0.00           H  
HETATM   75  H   UNL     1       1.314  -1.130   0.447  1.00  0.00           H  
HETATM   76  H   UNL     1       1.559   0.605   0.762  1.00  0.00           H  
HETATM   77  H   UNL     1       0.187   1.159  -1.228  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.058  -0.575  -1.542  1.00  0.00           H  
HETATM   79  H   UNL     1       5.757   5.014   2.677  1.00  0.00           H  
HETATM   80  H   UNL     1       6.693   6.095   1.617  1.00  0.00           H  
HETATM   81  H   UNL     1       5.090   5.515   1.105  1.00  0.00           H  
HETATM   82  H   UNL     1      10.620   3.738   2.605  1.00  0.00           H  
HETATM   83  H   UNL     1       9.995   5.279   3.242  1.00  0.00           H  
HETATM   84  H   UNL     1       9.005   3.803   3.351  1.00  0.00           H  
HETATM   85  H   UNL     1       9.410   1.373  -3.975  1.00  0.00           H  
HETATM   86  H   UNL     1      10.138  -0.179  -4.452  1.00  0.00           H  
HETATM   87  H   UNL     1       8.470  -0.132  -3.832  1.00  0.00           H  
HETATM   88  H   UNL     1      10.458  -3.372  -1.929  1.00  0.00           H  
HETATM   89  H   UNL     1      11.008   0.489  -2.231  1.00  0.00           H  
HETATM   90  H   UNL     1      12.208  -3.108  -3.567  1.00  0.00           H  
HETATM   91  H   UNL     1      11.276  -1.759  -4.260  1.00  0.00           H  
HETATM   92  H   UNL     1      12.450  -1.454  -2.956  1.00  0.00           H  
HETATM   93  H   UNL     1       7.878  -4.013   3.562  1.00  0.00           H  
HETATM   94  H   UNL     1       6.919  -5.252   2.717  1.00  0.00           H  
HETATM   95  H   UNL     1       8.463  -4.696   2.027  1.00  0.00           H  
HETATM   96  H   UNL     1       2.413  -2.135   1.881  1.00  0.00           H  
HETATM   97  H   UNL     1       0.422  -6.034  -0.004  1.00  0.00           H  
HETATM   98  H   UNL     1       0.482  -4.629  -1.096  1.00  0.00           H  
HETATM   99  H   UNL     1       1.853  -5.762  -1.027  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.415  -0.597   1.188  1.00  0.00           H  
HETATM  101  H   UNL     1      -3.171   1.137   1.503  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.922   0.231  -0.886  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.591   2.963   1.896  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.175   2.378   2.458  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.743   1.330   2.587  1.00  0.00           H  
HETATM  106  H   UNL     1      -7.005   2.981   0.105  1.00  0.00           H  
HETATM  107  H   UNL     1      -6.614   1.832  -1.197  1.00  0.00           H  
HETATM  108  H   UNL     1      -7.699   0.008   0.086  1.00  0.00           H  
HETATM  109  H   UNL     1      -8.090   1.158   1.388  1.00  0.00           H  
HETATM  110  H   UNL     1      -9.438   2.500  -0.202  1.00  0.00           H  
HETATM  111  H   UNL     1      -9.047   1.351  -1.504  1.00  0.00           H  
HETATM  112  H   UNL     1     -10.466   0.609   1.093  1.00  0.00           H  
HETATM  113  H   UNL     1     -10.920  -1.511  -0.111  1.00  0.00           H  
HETATM  114  H   UNL     1      -9.993  -0.915  -1.509  1.00  0.00           H  
HETATM  115  H   UNL     1      -9.170  -1.224   0.039  1.00  0.00           H  
HETATM  116  H   UNL     1     -11.809   2.112  -0.406  1.00  0.00           H  
HETATM  117  H   UNL     1     -11.594   0.934  -1.723  1.00  0.00           H  
HETATM  118  H   UNL     1     -12.692  -0.809  -0.343  1.00  0.00           H  
HETATM  119  H   UNL     1     -12.907   0.369   0.974  1.00  0.00           H  
HETATM  120  H   UNL     1     -14.284   1.790  -0.521  1.00  0.00           H  
HETATM  121  H   UNL     1     -14.069   0.612  -1.838  1.00  0.00           H  
HETATM  122  H   UNL     1     -15.329  -0.025   0.867  1.00  0.00           H  
HETATM  123  H   UNL     1     -16.011  -2.116  -0.279  1.00  0.00           H  
HETATM  124  H   UNL     1     -15.156  -1.589  -1.749  1.00  0.00           H  
HETATM  125  H   UNL     1     -14.239  -1.943  -0.266  1.00  0.00           H  
HETATM  126  H   UNL     1     -16.684   1.556  -0.539  1.00  0.00           H  
HETATM  127  H   UNL     1     -16.647   0.361  -1.858  1.00  0.00           H  
HETATM  128  H   UNL     1     -17.746  -1.301  -0.382  1.00  0.00           H  
HETATM  129  H   UNL     1     -17.783  -0.106   0.937  1.00  0.00           H  
HETATM  130  H   UNL     1     -19.176   1.394  -0.462  1.00  0.00           H  
HETATM  131  H   UNL     1     -19.139   0.199  -1.780  1.00  0.00           H  
HETATM  132  H   UNL     1     -20.191  -1.473  -0.229  1.00  0.00           H  
HETATM  133  H   UNL     1     -20.445   0.961   1.596  1.00  0.00           H  
HETATM  134  H   UNL     1     -21.181  -0.634   1.884  1.00  0.00           H  
HETATM  135  H   UNL     1     -19.410  -0.456   1.894  1.00  0.00           H  
HETATM  136  H   UNL     1     -21.574  -0.123  -1.782  1.00  0.00           H  
HETATM  137  H   UNL     1     -22.445  -0.439  -0.262  1.00  0.00           H  
HETATM  138  H   UNL     1     -21.708   1.156  -0.551  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   89                                       
CONECT   29   28   30   32   32                                       
CONECT   30    5   26   26   29                                       
CONECT   31   28   85   86   87                                       
CONECT   32   29   29   33   88                                       
CONECT   33   32   90   91   92                                       
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   93   94   95                                       
CONECT   40   37   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42    2   40   43   96                                       
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   46                                                 
CONECT   46   45   97   98   99                                       
CONECT   47   16   48  100  101                                       
CONECT   48   47   49   49  102                                       
CONECT   49   48   48   50   51                                       
CONECT   50   49  103  104  105                                       
CONECT   51   49   52  106  107                                       
CONECT   52   51   53  108  109                                       
CONECT   53   52   54  110  111                                       
CONECT   54   53   55   56  112                                       
CONECT   55   54  113  114  115                                       
CONECT   56   54   57  116  117                                       
CONECT   57   56   58  118  119                                       
CONECT   58   57   59  120  121                                       
CONECT   59   58   60   61  122                                       
CONECT   60   59  123  124  125                                       
CONECT   61   59   62  126  127                                       
CONECT   62   61   63  128  129                                       
CONECT   63   62   64  130  131                                       
CONECT   64   63   65   66  132                                       
CONECT   65   64  133  134  135                                       
CONECT   66   64  136  137  138                                       
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   31                                                      
CONECT   86   31                                                      
CONECT   87   31                                                      
CONECT   88   32                                                      
CONECT   89   28                                                      
CONECT   90   33                                                      
CONECT   91   33                                                      
CONECT   92   33                                                      
CONECT   93   39                                                      
CONECT   94   39                                                      
CONECT   95   39                                                      
CONECT   96   42                                                      
CONECT   97   46                                                      
CONECT   98   46                                                      
CONECT   99   46                                                      
CONECT  100   47                                                      
CONECT  101   47                                                      
CONECT  102   48                                                      
CONECT  103   50                                                      
CONECT  104   50                                                      
CONECT  105   50                                                      
CONECT  106   51                                                      
CONECT  107   51                                                      
CONECT  108   52                                                      
CONECT  109   52                                                      
CONECT  110   53                                                      
CONECT  111   53                                                      
CONECT  112   54                                                      
CONECT  113   55                                                      
CONECT  114   55                                                      
CONECT  115   55                                                      
CONECT  116   56                                                      
CONECT  117   56                                                      
CONECT  118   57                                                      
CONECT  119   57                                                      
CONECT  120   58                                                      
CONECT  121   58                                                      
CONECT  122   59                                                      
CONECT  123   60                                                      
CONECT  124   60                                                      
CONECT  125   60                                                      
CONECT  126   61                                                      
CONECT  127   61                                                      
CONECT  128   62                                                      
CONECT  129   62                                                      
CONECT  130   63                                                      
CONECT  131   63                                                      
CONECT  132   64                                                      
CONECT  133   65                                                      
CONECT  134   65                                                      
CONECT  135   65                                                      
CONECT  136   66                                                      
CONECT  137   66                                                      
CONECT  138   66                                                      
MASTER        0    0    0    0    0    0    0    0  138    0  138    0
END
