Mol 11

0.175

6.756961951

7.101508

−0.3445460

Mol 12*

0.175

6.756961951

6.540000

0.2169620

Mol 13*

0.25

6.602059991

6.540000

0.0620600

Mol 14*

0.25

6.602059991

6.740000

−0.137940

Mol 15

0.25

6.602059991

6.642225

−0.0401650

Mol 16*

0.25

6.602059991

6.740000

−0.137940

Mol 17*

0.25

6.602059991

7.030000

−0.427940

Mol 18*

0.25

6.602059991

6.740000

−0.137940

Mol 19*

0.175

6.756961951

6.740000

0.0169620

Mol 20

0.125

6.903089987

6.739626

0.16346400

Mol 21

0.125

6.903089987

6.739626

0.16346400

Mol 22

0.175

6.756961951

6.672987

0.08397500

Mol 23

0.25

6.602059991

6.639301

−0.0372410

Mol 24

0.25

6.602059991

6.732683

-0.1306230