KP01

KP04

KP07

K10

原子

原子

原子

原子

C1

−0.0099

C1

−0.0020

C1

−0.0042

C1

0.0035

C2

−0.0242

C2

−0.0016

C2

−0.0211

C2

−0.0325

N3

0.2350

C3

−0.0023

N3

0.2196

N3

0.2178

C4

−0.0287

C4

−0.0005

C4

−0.0231

C4

−0.0319

C5

−0.0044

C5

−0.0035

C5

−0.0025

C5

0.0771

C6

−0.0088

C6

−0.0001

C6

−0.0058

C6

−0.0071

C7

−0.0314

C7

−0.0018

C7

−0.0253

C7

−0.0348

C8

−0.0110

C8

−0.0304

C8

−0.0075

C8

−0.0083

C9

0.0144

N9

0.2903

C9

0.0137

C9

0.0159

C10

0.0038

C10

−0.0313

C10

0.0056

C10

0.0063

C11

0.0432

C11

−0.0023

C11

0.0371

C11

0.0435

C12

0.0131

C12

−0.0073

C12

0.0133

C12

0.0162

N13

0.0055

C13

−0.0347

N13

−0.0015

N13

−0.0009

N14

0.0417

C14

−0.0068

N14

0.0334

N14

0.0390

C15

−0.0203

C15

0.0169

C15

−0.0085

C15

−0.0100

C16

0.0399

C16

0.0054

C16

0.0313

C16

0.0368

O17

0.0445

C17

0.0460

O17

0.0315

O17

0.0364

C18

−0.0002

C18

0.0175

C18

0.0015

C18

0.0008

C19

0.0300

N19

0.0009

C19

0.0258

C19

0.0298

C20

0.0229

N20

0.0448

C20

0.0195

C20

0.0226

C21

0.0635

C21

−0.0118

C21

0.0571

C21

0.0658

O22

0.0108

C22

0.0438

H22

0.0159

H22

0.0098

H23

0.0135

O23

0.0373

H23

0.0115

H23

0.0083

H24

0.0133

C24

0.0009

H24

0.0410

H24

0.0525

H25

0.0438

C25

0.0323

H25

0.0168

H25

0.0207

H26

0.0193

C26

0.0250

H26

0.0170

H26

0.0251

H27

0.0217

C27

0.0707

H27

0.0407

H27

0.0536

H28

0.0432

O28

0.0053

H28

0.0182

H28

0.0221

H29

0.0192

H29

0.0076

H29

0.0076

H29

0.0096

H30

0.0101

H30

0.0018

H30

0.0190

H30

0.0230

H31

0.0204

H31

0.0094

H31

0.0068

H31

0.0086

H32

0.0080

H32

−0.0047

H32

0.0222

H32

0.0290