Mrv1572004251606232D          

  9  0  0  0  0  0            999 V2000
    0.4125    0.0000    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    3.5946    0.0000    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    6.7768    0.0000    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.6500    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    2.7696    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    5.9518    0.0000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.6500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    2.7696   -1.6500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
M  CHG  8   1   3   2   2   3   2   4   3   5  -2   6  -2   7  -2   8  -2
M  CHG  1   9  -2
M  END