GIW
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O01 | C02 | doub | 1.21Å | 1.30Å | |
O03 | C02 | sing | 1.34Å | 1.30Å | |
C02 | C04 | sing | 1.51Å | 1.50Å | |
C08 | S09 | sing | 1.81Å | 1.81Å | |
C08 | C07 | sing | 1.52Å | 1.55Å | |
S09 | C04 | sing | 1.82Å | 1.82Å | |
C04 | S05 | sing | 1.82Å | 1.82Å | |
C07 | C06 | sing | 1.52Å | 1.56Å | |
S05 | C06 | sing | 1.81Å | 1.87Å | |
C04 | H1 | sing | 1.09Å | 1.10Å | |
C06 | H2 | sing | 1.09Å | 1.10Å | |
C06 | H3 | sing | 1.09Å | 1.10Å | |
C07 | H4 | sing | 1.09Å | 1.10Å | |
C07 | H5 | sing | 1.09Å | 1.10Å | |
C08 | H6 | sing | 1.09Å | 1.10Å | |
C08 | H7 | sing | 1.09Å | 1.10Å | |
O03 | H8 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O01 | C02 | O03 | 117.3° | 120.0° |
O01 | C02 | C04 | 121.5° | 120.0° |
O03 | C02 | C04 | 121.2° | 120.0° |
C02 | O03 | H8 | 109.5° | 117.0° |
C02 | C04 | S09 | 110.0° | 109.5° |
C02 | C04 | S05 | 112.1° | 109.5° |
C02 | C04 | H1 | 110.9° | 109.6° |
S09 | C08 | C07 | 111.2° | 110.1° |
C08 | S09 | C04 | 108.3° | 102.9° |
S09 | C08 | H6 | 109.0° | 109.4° |
S09 | C08 | H7 | 109.0° | 109.4° |
C08 | C07 | C06 | 115.1° | 110.8° |
C08 | C07 | H4 | 108.0° | 109.2° |
C08 | C07 | H5 | 108.0° | 109.1° |
C07 | C08 | H6 | 109.0° | 109.4° |
C07 | C08 | H7 | 109.0° | 109.3° |
S09 | C04 | S05 | 109.7° | 109.1° |
S09 | C04 | H1 | 107.0° | 109.6° |
C04 | S05 | C06 | 107.3° | 102.9° |
S05 | C04 | H1 | 107.0° | 109.5° |
C07 | C06 | S05 | 116.0° | 110.0° |
C07 | C06 | H2 | 107.8° | 109.4° |
C07 | C06 | H3 | 107.8° | 109.3° |
C06 | C07 | H4 | 108.0° | 109.2° |
C06 | C07 | H5 | 108.1° | 109.3° |
S05 | C06 | H2 | 107.8° | 109.4° |
S05 | C06 | H3 | 107.8° | 109.4° |
H2 | C06 | H3 | 109.5° | 109.4° |
H4 | C07 | H5 | 109.5° | 109.2° |
H6 | C08 | H7 | 109.4° | 109.2° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O01 | C02 | O03 | C04 | 178.9° | 179.7° |
O01 | C02 | C04 | S09 | 121.0° | 149.6° |
O01 | C02 | C04 | S05 | 1.3° | 30.0° |
O01 | C02 | C04 | H1 | 120.8° | 90.1° |
O01 | C02 | O03 | H8 | 0.0° | 0.4° |
O03 | C02 | C04 | S09 | 60.1° | 30.7° |
O03 | C02 | C04 | S05 | 177.6° | 150.3° |
O03 | C02 | C04 | H1 | 58.1° | 89.5° |
C02 | C04 | S09 | C08 | 99.0° | 177.2° |
C02 | C04 | S09 | S05 | 123.7° | 119.9° |
C02 | C04 | S09 | H1 | 120.5° | 120.3° |
C02 | C04 | S05 | H1 | 121.7° | 120.2° |
C02 | C04 | S05 | C06 | 151.3° | 177.3° |
C04 | C02 | O03 | H8 | 178.9° | 180.0° |
S09 | C08 | C07 | H6 | 120.3° | 120.2° |
S09 | C08 | C07 | H7 | 120.3° | 120.2° |
C08 | S09 | C04 | S05 | 24.8° | 57.4° |
S09 | C08 | C07 | C06 | 45.3° | 72.6° |
C08 | S09 | C04 | H1 | 140.5° | 62.5° |
S09 | C08 | C07 | H4 | 166.1° | 167.0° |
S09 | C08 | C07 | H5 | 75.5° | 47.7° |
S09 | C08 | H6 | H7 | 119.2° | 119.7° |
C07 | C08 | S09 | C04 | 70.1° | 62.6° |
C08 | C07 | C06 | H4 | 120.8° | 120.4° |
C08 | C07 | C06 | H5 | 120.8° | 120.3° |
C08 | C07 | C06 | S05 | 18.6° | 72.6° |
C08 | C07 | C06 | H2 | 139.5° | 167.2° |
C08 | C07 | C06 | H3 | 102.3° | 47.5° |
C08 | C07 | H4 | H5 | 117.4° | 119.3° |
C07 | C08 | H6 | H7 | 119.2° | 119.6° |
S09 | C04 | S05 | H1 | 115.7° | 119.9° |
S09 | C04 | S05 | C06 | 28.7° | 57.4° |
C04 | S09 | C08 | H6 | 50.2° | 57.6° |
C04 | S09 | C08 | H7 | 169.6° | 177.2° |
C04 | S05 | C06 | C07 | 58.5° | 62.6° |
C04 | S05 | C06 | H2 | 179.4° | 177.2° |
C04 | S05 | C06 | H3 | 62.5° | 57.4° |
C07 | C06 | S05 | H2 | 120.9° | 120.1° |
C07 | C06 | S05 | H3 | 121.0° | 120.0° |
C07 | C06 | H2 | H3 | 117.0° | 119.6° |
C06 | C07 | H4 | H5 | 117.4° | 119.4° |
C06 | C07 | C08 | H6 | 75.0° | 47.6° |
C06 | C07 | C08 | H7 | 165.6° | 167.2° |
C06 | S05 | C04 | H1 | 87.0° | 62.5° |
S05 | C06 | H2 | H3 | 117.0° | 119.8° |
S05 | C06 | C07 | H4 | 102.2° | 167.0° |
S05 | C06 | C07 | H5 | 139.5° | 47.7° |
H2 | C06 | C07 | H4 | 18.7° | 46.9° |
H2 | C06 | C07 | H5 | 99.6° | 72.5° |
H3 | C06 | C07 | H4 | 136.8° | 72.9° |
H3 | C06 | C07 | H5 | 18.5° | 167.8° |
H4 | C07 | C08 | H6 | 45.9° | 72.8° |
H4 | C07 | C08 | H7 | 73.6° | 46.8° |
H5 | C07 | C08 | H6 | 164.2° | 168.0° |
H5 | C07 | C08 | H7 | 44.8° | 72.5° |