Mrv1909 09092015522D          

 21 18  0  0  0  0            999 V2000
   -2.9875   -0.3456    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    1.7607    3.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5857    3.4601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3482    4.1746    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3482    2.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5232    2.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1106    2.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5232    1.3166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7143    2.0311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1268    1.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7143    0.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6089    0.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4339    0.2904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1964    1.0049    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1964   -0.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3714   -0.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9588   -1.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3714   -1.8529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1338   -1.1384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2786   -1.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1338   -2.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  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
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  CHG  3   1   2   4  -1  14  -1
M  END