Charge

Charge

No.

取代位置

碳原子类型

0

−1

−2

No.

取代位置

碳原子类型

0

−1

−2

1

1,3,26,28

C1-C1-C1-C1

0.743

1.258

1.773

41

6,8,21,25

C2-C2-C2-C2

0.622

1.127

1.631

2

1,3,26,29

C1-C1-C1-C1

0.820

1.294

1.768

42

6,10,17,21

C2-C2-C2-C2

0.680

1.175

1.670

3

1,3,28,30

C1-C1-C1-C1

0.755

1.264

1.774

43

6,10,17,23

C2-C2-C2-C2

0.645

1.155

1.665

4

1,4,26,28

C1-C1-C1-C1

0.820

1.292

1.765

44

6,10,19,23

C2-C2-C2-C2

0.672

1.163

1.654

5

2,3,26,27

C1-C1-C1-C1

0.831

1.303

1.775

45

6,8,16,17

C2-C2-C3-C2

0.531

1.019

1.507

6

2,3,26,28

C1-C1-C1-C1

0.803

1.289

1.774

46

6,8,16,19

C2-C2-C3-C2

0.498

1.019

1.540

7

2,3,26,29

C1-C1-C1-C1

0.815

1.293

1.771

47

6,8,16,21

C2-C2-C3-C2

0.543

1.045

1.547

8

2,3,26,30

C1-C1-C1-C1

0.792

1.275

1.759

48

6,8,16,23

C2-C2-C3-C2

0.552

1.055

1.558

9

2,4,26,27

C1-C1-C1-C1

0.830

1.303

1.775

49

6,8,16,25

C2-C2-C3-C2

0.499

1.015

1.531

10

2,4,26,29

C1-C1-C1-C1

0.755

1.264

1.774

50

6,8,16,18

C2-C2-C3-C3

0.483

0.996

1.508

11

1,2,6,8

C1-C1-C2-C2

0.593

1.118

1.643

51

6,8,16,20

C2-C2-C3-C3

0.399

0.940

1.482

12

1,2,6,10

C1-C1-C2-C2

0.607

1.142

1.678

52

6,8,16,22

C2-C2-C3-C3

0.476

0.971

1.466

13

1,2,6,12

C1-C1-C2-C2

0.686

1.199

1.712

53

6,8,16,24

C2-C2-C3-C3

0.397

0.938

1.480

14

1,2,6,14

C1-C1-C2-C2

0.699

1.199

1.698

54

6,7,16,17

C2-C3-C3-C2

0.398

0.911

1.423

15

1,3,6,8

C1-C1-C2-C2

0.669

1.168

1.666

55

6,7,16,19

C2-C3-C3-C2

0.416

0.919

1.423

16

1,3,6,10

C1-C1-C2-C2

0.652

1.172

1.692

56

6,7,16,21

C2-C3-C3-C2

0.435

0.926

1.417

17

1,3,6,12

C1-C1-C2-C2

0.593

1.138

1.682

57

6,7,16,23

C2-C3-C3-C2

0.415

0.915

1.416

18

1,3,6,14

C1-C1-C2-C2

0.555

1.105

1.655

58

6,7,16,25

C2-C3-C3-C2

0.373

0.856

1.339

19

1,2,6,7

C1-C1-C2-C3

0.600

1.094

1.588

59

6,9,16,17

C2-C3-C3-C2

0.477

0.968

1.459

20

1,2,6,9

C1-C1-C2-C3

0.589

1.085

1.581

60

6,9,16,19

C2-C3-C3-C2

0.494

0.991

1.488

21

1,2,6,11

C1-C1-C2-C3

0.595

1.099

1.603

61

6,9,16,21

C2-C3-C3-C2

0.499

0.998

1.496

22

1,2,6,13

C1-C1-C2-C3

0.571

1.094

1.617

62

6,9,16,23

C2-C3-C3-C2

0.488

0.984

1.481

23

1,2,6,15

C1-C1-C2-C3

0.525

1.061

1.597

63

6,9,16,25

C2-C3-C3-C2

0.464

0.953

1.442

24

1,3,6,7

C1-C1-C2-C3

0.494

1.031

1.568

64

6,7,16,18

C2-C3-C3-C3

0.335

0.828

1.320

25

1,3,6,9

C1-C1-C2-C3

0.481

1.032

1.583

65

6,7,16,20

C2-C3-C3-C3

0.265

0.747

1.229

26

1,3,6,11

C1-C1-C2-C3

0.590

1.088

1.586

66

6,7,16,22

C2-C3-C3-C3

0.251

0.782

1.312

27

1,3,6,13

C1-C1-C2-C3

0.598

1.092

1.585

67

6,7,16,24

C2-C3-C3-C3

0.341

0.840

1.338

28

1,3,6,15

C1-C1-C2-C3

0.612

1.107

1.601

68

6,9,16,18

C2-C3-C3-C3

0.378

0.874

1.369

29

6,8,10,12

C2-C2-C2-C2

0.557

1.086

1.615

69

6,9,16,20

C2-C3-C3-C3

0.397

0.872

1.346

30

6,8,10,17

C2-C2-C2-C2

0.560

1.085

1.611

70

6,9,16,22

C2-C3-C3-C3

0.367

0.850

1.334

31

6,8,10,19

C2-C2-C2-C2

0.614

1.100

1.586

71

6,9,16,24

C2-C3-C3-C3

0.405

0.900

1.395

32

6,8,10,23

C2-C2-C2-C2

0.604

1.111

1.617

72

9,11,26,27

C3-C3-C1-C1

0.544

1.025

1.507

33

6,8,12,17

C2-C2-C2-C2

0.615

1.121

1.627

73

9,11,13,15

C3-C3-C3-C3

0.317

0.848

1.379

34

6,8,12,21

C2-C2-C2-C2

0.643

1.139

1.634

74

9,11,13,18

C3-C3-C3-C3

0.276

0.772

1.268

35

6,8,12,23

C2-C2-C2-C2

0.660

1.152

1.643

75

9,11,13,20

C3-C3-C3-C3

0.204

0.720

1.235

36

6,8,17,19

C2-C2-C2-C2

0.532

1.035

1.539

76

9,11,13,22

C3-C3-C3-C3

0.258

0.719

1.179

37

6,8,17,21

C2-C2-C2-C2

0.635

1.127

1.618

77

9,11,15,16

C3-C3-C3-C3

0.300

0.783

1.267

38

6,8,17,23

C2-C2-C2-C2

0.627

1.124

1.622

78

9,11,15,18

C3-C3-C3-C3

0.207

0.703

1.199

39

6,8,17,25

C2-C2-C2-C2

0.539

1.057

1.574

79

9,11,15,20

C3-C3-C3-C3

0.184

0.708

1.232

40

6,8,21,23

C2-C2-C2-C2

0.598

1.102

1.606

80

C₃₀(D_5h)

−0.875

−0.605

−0.336