web20523.mol 3 2 0 0 0 0 0 0 0 0 0 0.0000 -0.0001 0.0001 SI 0 0 0 0 0 1.5380 -0.0010 -0.0001 O 0 0 0 0 0 -1.5380 0.0016 -0.0001 O 0 0 0 0 0 1 2 2 0 0 0 1 3 2 0 0 0