Mrv1909 09012020142D          

 19 14  0  0  0  0            999 V2000
   -4.9812   -0.6541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2687   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5562   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2729    0.5874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8437   -0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1312   -0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1354   -1.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4187   -0.2291    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.3354   -0.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3770   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0895   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3729    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020   -0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5145   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5104   -1.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2270   -0.3041    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8062    1.5458    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    4.9312    0.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9812   -0.3541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  1  2  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
M  CHG  3   8  -1  16  -1  17   2
M  END