6B6
  CCTOOLS-0807261402

  9  8  0  0  0  0  0  0  0  0999 V2000
    0.4940    1.4210   -1.5580 O   0  5  0  0  0
    0.1910    0.1120   -0.0760 PT  0  0  0  0  0
   -1.1750    1.3340    0.7240 O   0  5  0  0  0
   -0.1120   -1.1970    1.4050 O   0  5  0  0  0
    1.5570   -1.1110   -0.8770 O   0  5  0  0  0
   -1.9680    1.0440    0.5340 H   0  0  0  0  0
    1.1570   -1.7530   -1.2980 H   0  0  0  0  0
   -0.2690    1.6910   -1.8650 H   0  0  0  0  0
   -0.9630   -1.3040    1.5260 H   0  0  0  0  0
  1  8  1  0  0  0
  2  1  1  0  0  0
  2  4  1  0  0  0
  2  5  1  0  0  0
  3  2  1  0  0  0
  3  6  1  0  0  0
  4  9  1  0  0  0
  5  7  1  0  0  0
M  CHG  1   1  -1
M  CHG  1   3  -1
M  CHG  1   4  -1
M  CHG  1   5  -1
M  END
$$$$
