6YV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C09 | C08 | doub | 1.39Å | 1.38Å | Aromatic |
C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
C08 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
C10 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
C07 | C06 | doub | 1.40Å | 1.41Å | Aromatic |
C11 | C06 | sing | 1.41Å | 1.41Å | Aromatic |
C11 | B12 | sing | 1.57Å | 1.56Å | |
C06 | C05 | sing | 1.47Å | 1.47Å | |
O13 | B12 | sing | 1.42Å | 1.36Å | |
B12 | O14 | sing | 1.42Å | 1.40Å | |
C05 | C04 | doub | 1.35Å | 1.26Å | |
C04 | C02 | sing | 1.46Å | 1.54Å | |
C02 | O01 | doub | 1.22Å | 1.24Å | |
C02 | O03 | sing | 1.35Å | 1.28Å | |
C10 | H1 | sing | 1.08Å | 1.08Å | |
O03 | H2 | sing | 0.97Å | 0.95Å | |
C04 | H3 | sing | 1.08Å | 1.08Å | |
C05 | H4 | sing | 1.08Å | 1.08Å | |
C07 | H5 | sing | 1.08Å | 1.08Å | |
C08 | H6 | sing | 1.08Å | 1.08Å | |
C09 | H7 | sing | 1.08Å | 1.08Å | |
O13 | H8 | sing | 0.97Å | 0.95Å | |
O14 | H9 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C08 | C09 | C10 | 119.8° | 120.4° |
C09 | C08 | C07 | 119.9° | 120.4° |
C09 | C08 | H6 | 120.1° | 119.7° |
C08 | C09 | H7 | 120.1° | 119.8° |
C09 | C10 | C11 | 121.6° | 120.0° |
C09 | C10 | H1 | 119.2° | 120.0° |
C10 | C09 | H7 | 120.1° | 119.8° |
C08 | C07 | C06 | 121.1° | 120.0° |
C08 | C07 | H5 | 119.5° | 120.0° |
C07 | C08 | H6 | 120.0° | 119.9° |
C10 | C11 | C06 | 118.7° | 119.6° |
C10 | C11 | B12 | 119.3° | 120.2° |
C11 | C10 | H1 | 119.2° | 120.0° |
C07 | C06 | C11 | 118.9° | 119.5° |
C07 | C06 | C05 | 120.0° | 120.3° |
C06 | C07 | H5 | 119.4° | 120.0° |
C06 | C11 | B12 | 122.1° | 120.2° |
C11 | C06 | C05 | 121.1° | 120.2° |
C11 | B12 | O13 | 123.3° | 120.0° |
C11 | B12 | O14 | 112.1° | 120.0° |
C06 | C05 | C04 | 124.9° | 120.0° |
C06 | C05 | H4 | 117.5° | 120.0° |
O13 | B12 | O14 | 112.8° | 120.0° |
B12 | O13 | H8 | 109.5° | 114.0° |
B12 | O14 | H9 | 109.5° | 114.0° |
C05 | C04 | C02 | 123.8° | 120.0° |
C05 | C04 | H3 | 118.1° | 120.0° |
C04 | C05 | H4 | 117.5° | 119.9° |
C04 | C02 | O01 | 118.3° | 120.0° |
C04 | C02 | O03 | 116.7° | 120.0° |
C02 | C04 | H3 | 118.1° | 120.0° |
O01 | C02 | O03 | 124.9° | 120.0° |
C02 | O03 | H2 | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C08 | C09 | C10 | H7 | 180.0° | 180.0° |
C09 | C08 | C07 | H6 | 180.0° | 179.2° |
C08 | C09 | C10 | C11 | 0.6° | 0.0° |
C09 | C08 | C07 | C06 | 0.0° | 0.8° |
C08 | C09 | C10 | H1 | 179.5° | 179.7° |
C09 | C08 | C07 | H5 | 180.0° | 179.7° |
C10 | C09 | C08 | C07 | 0.2° | 0.5° |
C09 | C10 | C11 | H1 | 180.0° | 179.7° |
C09 | C10 | C11 | C06 | 0.7° | 0.3° |
C09 | C10 | C11 | B12 | 178.6° | 179.7° |
C10 | C09 | C08 | H6 | 179.8° | 179.7° |
C08 | C07 | C06 | H5 | 180.0° | 179.5° |
C08 | C07 | C06 | C11 | 0.2° | 0.5° |
C08 | C07 | C06 | C05 | 179.5° | 179.5° |
C07 | C08 | C09 | H7 | 179.8° | 179.5° |
C10 | C11 | C06 | C07 | 0.5° | 0.1° |
C10 | C11 | C06 | B12 | 179.3° | 180.0° |
C10 | C11 | C06 | C05 | 179.1° | 180.0° |
C10 | C11 | B12 | O13 | 14.2° | 152.9° |
C10 | C11 | B12 | O14 | 125.9° | 27.1° |
C11 | C10 | C09 | H7 | 179.4° | 180.0° |
C07 | C06 | C11 | C05 | 179.6° | 180.0° |
C07 | C06 | C11 | B12 | 178.8° | 180.0° |
C07 | C06 | C05 | C04 | 52.6° | 16.0° |
C07 | C06 | C05 | H4 | 127.5° | 163.9° |
C06 | C07 | C08 | H6 | 180.0° | 180.0° |
C06 | C11 | B12 | O13 | 166.5° | 27.2° |
C06 | C11 | B12 | O14 | 53.4° | 152.8° |
C11 | C06 | C05 | C04 | 127.8° | 163.9° |
C06 | C11 | C10 | H1 | 179.3° | 180.0° |
C11 | C06 | C05 | H4 | 52.2° | 16.1° |
C11 | C06 | C07 | H5 | 179.8° | 180.0° |
B12 | C11 | C06 | C05 | 1.6° | 0.0° |
C11 | B12 | O13 | O14 | 139.9° | 180.0° |
B12 | C11 | C10 | H1 | 1.4° | 0.1° |
C11 | B12 | O13 | H8 | 180.0° | 180.0° |
C11 | B12 | O14 | H9 | 180.0° | 180.0° |
C06 | C05 | C04 | H4 | 180.0° | 179.9° |
C06 | C05 | C04 | C02 | 177.7° | 180.0° |
C06 | C05 | C04 | H3 | 2.3° | 0.0° |
C05 | C06 | C07 | H5 | 0.6° | 0.0° |
O13 | B12 | O14 | H9 | 35.6° | 0.0° |
O14 | B12 | O13 | H8 | 40.1° | 0.1° |
C05 | C04 | C02 | H3 | 180.0° | 180.0° |
C05 | C04 | C02 | O01 | 159.8° | 0.0° |
C05 | C04 | C02 | O03 | 18.0° | 180.0° |
C04 | C02 | O01 | O03 | 177.6° | 179.9° |
C04 | C02 | O03 | H2 | 177.6° | 180.0° |
C02 | C04 | C05 | H4 | 2.2° | 0.0° |
O01 | C02 | O03 | H2 | 0.0° | 0.0° |
O01 | C02 | C04 | H3 | 20.2° | 179.9° |
O03 | C02 | C04 | H3 | 162.0° | 0.0° |
H1 | C10 | C09 | H7 | 0.5° | 0.3° |
H3 | C04 | C05 | H4 | 177.8° | 179.9° |
H5 | C07 | C08 | H6 | 0.0° | 0.5° |
H6 | C08 | C09 | H7 | 0.2° | 0.3° |