KP03

KP06

KP09

K12

原子

原子

原子

原子

C1

0.0029

C1

−0.00389

C1

−0.00448

C1

0.0015

C2

−0.02417

C2

−0.05217

C2

−0.02188

C2

−0.03156

N3

0.26803

N3

0.55352

N3

0.22816

N3

0.21188

C4

−0.01959

C4

−0.05709

C4

−0.02413

C4

−0.03308

C5

0.00718

C5

−0.00691

C5

−0.00272

C5

0.09711

C6

−0.02781

C6

−0.0058

C6

−0.00599

C6

−0.00738

C7

−0.02437

C7

−0.05845

C7

−0.02636

C7

−0.03676

C8

−0.00084

C8

−0.00634

C8

−0.00116

C8

−0.00159

C9

−0.01319

C9

0.00318

C9

0.01775

C9

0.02177

C10

−0.01193

C10

0.00301

C10

0.0053

C10

0.00582

C11

0.07229

C11

0.00481

C11

0.04037

C11

0.04876

C12

0.0074

C12

0.00205

C12

0.01236

C12

0.01596

N13

0.02116

N13

−0.00254

N13

−0.00116

N13

0.04593

N14

0.00169

C14

0.00355

N14

0.03747

C14

−0.00653

C15

0.03033

C15

−0.0024

C15

−0.00487

C15

0.01702

C16

0.00216

O16

0.00744

C16

0.0125

O16

0.04133

O17

0.0341

C17

0.00076

O17

0.03457

C17

0.00084

C18

0.00755

C18

−0.00014

C18

0.00174

C18

−0.01091

C19

0.06583

C19

0.00169

C19

−0.00945

C19

0.02771

C20

0.03944

H20

0.01827

C20

0.02296

H20

0.00479

H21

0.00869

H21

0.01696

H21

0.01658

H21

0.00899

H22

0.0045

H22

0.09662

H22

0.01209

H22

0.05127

H23

0.03849

H23

0.03516

H23

0.04241

H23

0.0212

H24

0.02112

H24

0.04005

H24

0.01731

H24

0.02653

H25

0.01829

H25

0.10349

H25

0.01744

H25

0.05556

H26

0.03857

H26

0.02846

H26

0.0422

H26

0.02359

H27

0.01953

H27

0.01655

H27

0.01948

H27

0.01028

H28

0.001

H28

0.02849

H28

0.00805

H28

0.02404

H29

0.06351

H29

0.01656

H29

0.01965

H29

0.00905