
  -molcms-06162616092D

 21 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9945    2.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7866    3.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9945    1.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7866    0.2819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9456    0.9511    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5334    1.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9456    2.5691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2546    3.5201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5334    1.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0334    0.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0334    0.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5334    1.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0334    2.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0334    2.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5334    1.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0334    2.6261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0334    0.8940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2546    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0334    0.0000    0.0000 K   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 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 11  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
  7 20  1  0  0  0  0
M  CHG  4   9   1  10  -1  19  -1  21   1
M  RAD  1  20   2
M  END
