7UE
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O01 | C10 | doub | 1.21Å | 1.28Å | |
C04 | N01 | doub | 1.32Å | 1.36Å | Aromatic |
C04 | C03 | sing | 1.40Å | 1.39Å | Aromatic |
N01 | C05 | sing | 1.32Å | 1.36Å | Aromatic |
C10 | C03 | sing | 1.48Å | 1.51Å | |
C10 | O02 | sing | 1.35Å | 1.28Å | |
C03 | C02 | doub | 1.40Å | 1.42Å | Aromatic |
C05 | C01 | doub | 1.39Å | 1.39Å | Aromatic |
C02 | C01 | sing | 1.39Å | 1.41Å | Aromatic |
C01 | N02 | sing | 1.40Å | 1.43Å | |
N02 | C07 | sing | 1.37Å | 1.39Å | Aromatic |
N02 | C08 | sing | 1.36Å | 1.39Å | Aromatic |
C07 | C06 | doub | 1.35Å | 1.38Å | Aromatic |
C08 | C09 | doub | 1.35Å | 1.38Å | Aromatic |
C06 | C09 | sing | 1.41Å | 1.41Å | Aromatic |
C02 | H1 | sing | 1.08Å | 1.08Å | |
C04 | H2 | sing | 1.08Å | 1.08Å | |
C05 | H3 | sing | 1.08Å | 1.08Å | |
C06 | 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 | |
O02 | H8 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O01 | C10 | C03 | 116.1° | 120.0° |
O01 | C10 | O02 | 126.1° | 120.0° |
N01 | C04 | C03 | 123.7° | 120.7° |
C04 | N01 | C05 | 117.5° | 122.0° |
N01 | C04 | H2 | 118.2° | 119.7° |
C04 | C03 | C10 | 119.0° | 120.6° |
C04 | C03 | C02 | 117.1° | 118.9° |
C03 | C04 | H2 | 118.1° | 119.6° |
N01 | C05 | C01 | 124.4° | 121.0° |
N01 | C05 | H3 | 117.8° | 119.5° |
C03 | C10 | O02 | 117.9° | 120.0° |
C10 | C03 | C02 | 123.9° | 120.5° |
C10 | O02 | H8 | 109.5° | 117.0° |
C03 | C02 | C01 | 120.8° | 118.2° |
C03 | C02 | H1 | 119.6° | 120.9° |
C05 | C01 | C02 | 116.6° | 119.2° |
C05 | C01 | N02 | 120.4° | 120.4° |
C01 | C05 | H3 | 117.8° | 119.5° |
C02 | C01 | N02 | 123.0° | 120.4° |
C01 | C02 | H1 | 119.6° | 120.9° |
C01 | N02 | C07 | 126.4° | 125.7° |
C01 | N02 | C08 | 127.4° | 125.7° |
C07 | N02 | C08 | 106.2° | 108.6° |
N02 | C07 | C06 | 109.8° | 108.2° |
N02 | C07 | H5 | 125.1° | 125.9° |
N02 | C08 | C09 | 109.5° | 108.3° |
N02 | C08 | H6 | 125.2° | 125.9° |
C07 | C06 | C09 | 107.0° | 107.4° |
C07 | C06 | H4 | 126.5° | 126.3° |
C06 | C07 | H5 | 125.1° | 125.9° |
C08 | C09 | C06 | 107.5° | 107.4° |
C09 | C08 | H6 | 125.3° | 125.8° |
C08 | C09 | H7 | 126.2° | 126.3° |
C09 | C06 | H4 | 126.5° | 126.3° |
C06 | C09 | H7 | 126.3° | 126.2° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O01 | C10 | C03 | C04 | 2.6° | 180.0° |
O01 | C10 | C03 | O02 | 179.4° | 180.0° |
O01 | C10 | C03 | C02 | 178.0° | 0.0° |
O01 | C10 | O02 | H8 | 0.0° | 0.0° |
N01 | C04 | C03 | H2 | 180.0° | 179.8° |
N01 | C04 | C03 | C10 | 179.9° | 180.0° |
N01 | C04 | C03 | C02 | 0.5° | 0.0° |
C04 | N01 | C05 | C01 | 0.2° | 0.6° |
C04 | N01 | C05 | H3 | 179.7° | 179.7° |
C03 | C04 | N01 | C05 | 0.3° | 0.3° |
C04 | C03 | C10 | C02 | 179.4° | 180.0° |
C04 | C03 | C10 | O02 | 176.8° | 0.0° |
C04 | C03 | C02 | C01 | 0.2° | 0.0° |
C04 | C03 | C02 | H1 | 179.9° | 179.9° |
N01 | C05 | C01 | H3 | 180.0° | 179.7° |
N01 | C05 | C01 | C02 | 0.5° | 0.6° |
N01 | C05 | C01 | N02 | 179.7° | 179.7° |
C05 | N01 | C04 | H2 | 179.7° | 179.9° |
C10 | C03 | C02 | C01 | 179.5° | 180.0° |
C10 | C03 | C02 | H1 | 0.5° | 0.1° |
C10 | C03 | C04 | H2 | 0.1° | 0.2° |
C03 | C10 | O02 | H8 | 179.3° | 180.0° |
O02 | C10 | C03 | C02 | 2.6° | 180.0° |
C03 | C02 | C01 | C05 | 0.3° | 0.3° |
C03 | C02 | C01 | H1 | 180.0° | 179.9° |
C03 | C02 | C01 | N02 | 179.4° | 180.0° |
C02 | C03 | C04 | H2 | 179.5° | 179.8° |
C05 | C01 | C02 | N02 | 179.1° | 179.7° |
C05 | C01 | N02 | C07 | 6.2° | 0.3° |
C05 | C01 | N02 | C08 | 175.0° | 179.4° |
C05 | C01 | C02 | H1 | 179.7° | 179.8° |
C02 | C01 | N02 | C07 | 172.8° | 180.0° |
C02 | C01 | N02 | C08 | 6.0° | 0.3° |
C02 | C01 | C05 | H3 | 179.5° | 179.7° |
C01 | N02 | C07 | C08 | 179.0° | 179.8° |
C01 | N02 | C07 | C06 | 179.3° | 180.0° |
C01 | N02 | C08 | C09 | 179.6° | 179.8° |
N02 | C01 | C02 | H1 | 0.6° | 0.1° |
N02 | C01 | C05 | H3 | 0.3° | 0.0° |
C01 | N02 | C07 | H5 | 0.7° | 0.1° |
C01 | N02 | C08 | H6 | 0.4° | 0.2° |
N02 | C07 | C06 | H5 | 180.0° | 179.9° |
C07 | N02 | C08 | C09 | 0.6° | 0.4° |
N02 | C07 | C06 | C09 | 0.1° | 0.0° |
N02 | C07 | C06 | H4 | 179.9° | 179.8° |
C07 | N02 | C08 | H6 | 179.4° | 180.0° |
C08 | N02 | C07 | C06 | 0.3° | 0.2° |
N02 | C08 | C09 | H6 | 180.0° | 179.6° |
N02 | C08 | C09 | C06 | 0.7° | 0.4° |
C08 | N02 | C07 | H5 | 179.7° | 179.7° |
N02 | C08 | C09 | H7 | 179.3° | 179.6° |
C07 | C06 | C09 | C08 | 0.5° | 0.2° |
C07 | C06 | C09 | H4 | 180.0° | 179.8° |
C07 | C06 | C09 | H7 | 179.5° | 179.7° |
C08 | C09 | C06 | H7 | 180.0° | 180.0° |
C08 | C09 | C06 | H4 | 179.5° | 180.0° |
C09 | C06 | C07 | H5 | 179.9° | 179.9° |
C06 | C09 | C08 | H6 | 179.3° | 180.0° |
H4 | C06 | C07 | H5 | 0.1° | 0.3° |
H4 | C06 | C09 | H7 | 0.5° | 0.1° |
H6 | C08 | C09 | H7 | 0.7° | 0.0° |