Mrv0541 02241221112D          

 17 14  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    5.9518   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1268   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7143   -1.4289    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.7143    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8893    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4768    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6518    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8563   -5.2224    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0312   -5.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6188   -5.9368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6188   -4.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2062   -4.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6187   -3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4437   -3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8562   -3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
M  CHG  3   1   2   4  -1  10  -1
M  END