F3E
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N03 | C04 | doub | 1.32Å | 1.33Å | Aromatic |
N03 | C02 | sing | 1.33Å | 1.32Å | Aromatic |
C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
N01 | C02 | sing | 1.38Å | 1.44Å | |
C02 | N13 | doub | 1.32Å | 1.32Å | Aromatic |
C05 | C06 | doub | 1.40Å | 1.39Å | Aromatic |
N13 | C06 | sing | 1.33Å | 1.33Å | Aromatic |
C06 | C07 | sing | 1.48Å | 1.39Å | |
C07 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
C07 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
C08 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
C10 | H1 | sing | 1.08Å | 1.08Å | |
C04 | H2 | sing | 1.08Å | 1.08Å | |
C05 | H3 | sing | 1.08Å | 1.08Å | |
C08 | H4 | sing | 1.08Å | 1.08Å | |
C09 | H5 | sing | 1.08Å | 1.08Å | |
C11 | H6 | sing | 1.08Å | 1.08Å | |
C12 | H7 | sing | 1.08Å | 1.08Å | |
N01 | H8 | sing | 0.97Å | 1.00Å | |
N01 | H9 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C04 | N03 | C02 | 121.4° | 120.9° |
N03 | C04 | C05 | 116.9° | 119.3° |
N03 | C04 | H2 | 121.6° | 120.3° |
N03 | C02 | N01 | 117.9° | 119.1° |
N03 | C02 | N13 | 123.4° | 121.7° |
C04 | C05 | C06 | 120.0° | 118.5° |
C05 | C04 | H2 | 121.6° | 120.4° |
C04 | C05 | H3 | 120.0° | 120.7° |
N01 | C02 | N13 | 118.7° | 119.2° |
C02 | N01 | H8 | 109.5° | 120.0° |
C02 | N01 | H9 | 109.4° | 120.0° |
C02 | N13 | C06 | 118.6° | 120.6° |
C05 | C06 | N13 | 119.8° | 119.0° |
C05 | C06 | C07 | 119.7° | 120.5° |
C06 | C05 | H3 | 120.0° | 120.8° |
N13 | C06 | C07 | 120.5° | 120.5° |
C06 | C07 | C08 | 121.2° | 120.2° |
C06 | C07 | C12 | 119.0° | 120.1° |
C08 | C07 | C12 | 119.7° | 119.7° |
C07 | C08 | C09 | 120.2° | 119.9° |
C07 | C08 | H4 | 119.9° | 120.0° |
C07 | C12 | C11 | 120.4° | 119.9° |
C07 | C12 | H7 | 119.8° | 120.1° |
C08 | C09 | C10 | 120.0° | 120.1° |
C09 | C08 | H4 | 119.9° | 120.1° |
C08 | C09 | H5 | 120.0° | 120.0° |
C12 | C11 | C10 | 119.7° | 120.1° |
C12 | C11 | H6 | 120.2° | 120.0° |
C11 | C12 | H7 | 119.8° | 120.0° |
C09 | C10 | C11 | 120.1° | 120.2° |
C09 | C10 | H1 | 119.9° | 119.9° |
C10 | C09 | H5 | 120.0° | 119.9° |
C11 | C10 | H1 | 119.9° | 119.9° |
C10 | C11 | H6 | 120.2° | 119.9° |
H8 | N01 | H9 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N03 | C04 | C05 | H2 | 180.0° | 179.7° |
C04 | N03 | C02 | N01 | 179.7° | 179.8° |
C04 | N03 | C02 | N13 | 1.4° | 0.1° |
N03 | C04 | C05 | C06 | 0.2° | 0.3° |
N03 | C04 | C05 | H3 | 179.8° | 179.7° |
C02 | N03 | C04 | C05 | 0.5° | 0.1° |
N03 | C02 | N01 | N13 | 178.3° | 179.7° |
N03 | C02 | N13 | C06 | 1.5° | 0.4° |
C02 | N03 | C04 | H2 | 179.5° | 179.8° |
N03 | C02 | N01 | H8 | 0.0° | 179.6° |
N03 | C02 | N01 | H9 | 120.0° | 0.3° |
C04 | C05 | C06 | H3 | 180.0° | 180.0° |
C04 | C05 | C06 | N13 | 0.1° | 0.6° |
C04 | C05 | C06 | C07 | 177.9° | 180.0° |
N01 | C02 | N13 | C06 | 179.8° | 180.0° |
C02 | N01 | H8 | H9 | 120.0° | 179.9° |
C02 | N13 | C06 | C05 | 0.8° | 0.6° |
C02 | N13 | C06 | C07 | 178.8° | 180.0° |
N13 | C02 | N01 | H8 | 178.3° | 0.0° |
N13 | C02 | N01 | H9 | 61.7° | 180.0° |
C05 | C06 | N13 | C07 | 178.0° | 179.4° |
C05 | C06 | C07 | C08 | 32.9° | 180.0° |
C05 | C06 | C07 | C12 | 144.0° | 0.2° |
C06 | C05 | C04 | H2 | 179.8° | 180.0° |
N13 | C06 | C07 | C08 | 149.1° | 0.6° |
N13 | C06 | C07 | C12 | 34.0° | 179.2° |
N13 | C06 | C05 | H3 | 180.0° | 179.5° |
C06 | C07 | C08 | C12 | 176.8° | 179.8° |
C06 | C07 | C08 | C09 | 178.7° | 180.0° |
C06 | C07 | C12 | C11 | 178.6° | 180.0° |
C07 | C06 | C05 | H3 | 2.0° | 0.1° |
C06 | C07 | C08 | H4 | 1.3° | 0.0° |
C06 | C07 | C12 | H7 | 1.5° | 0.2° |
C07 | C08 | C09 | H4 | 180.0° | 179.9° |
C08 | C07 | C12 | C11 | 1.7° | 0.2° |
C07 | C08 | C09 | C10 | 1.0° | 0.0° |
C07 | C08 | C09 | H5 | 179.0° | 180.0° |
C08 | C07 | C12 | H7 | 178.4° | 180.0° |
C12 | C07 | C08 | C09 | 1.8° | 0.2° |
C07 | C12 | C11 | H7 | 180.0° | 179.9° |
C07 | C12 | C11 | C10 | 0.7° | 0.1° |
C12 | C07 | C08 | H4 | 178.2° | 179.8° |
C07 | C12 | C11 | H6 | 179.3° | 180.0° |
C08 | C09 | C10 | H5 | 180.0° | 179.9° |
C08 | C09 | C10 | C11 | 0.1° | 0.3° |
C08 | C09 | C10 | H1 | 179.9° | 180.0° |
C12 | C11 | C10 | C09 | 0.1° | 0.3° |
C12 | C11 | C10 | H6 | 180.0° | 179.9° |
C12 | C11 | C10 | H1 | 179.9° | 180.0° |
C09 | C10 | C11 | H1 | 180.0° | 179.7° |
C10 | C09 | C08 | H4 | 179.0° | 180.0° |
C09 | C10 | C11 | H6 | 179.9° | 179.8° |
C11 | C10 | C09 | H5 | 179.9° | 179.8° |
C10 | C11 | C12 | H7 | 179.3° | 179.8° |
H1 | C10 | C09 | H5 | 0.1° | 0.1° |
H1 | C10 | C11 | H6 | 0.0° | 0.0° |
H2 | C04 | C05 | H3 | 0.2° | 0.0° |
H4 | C08 | C09 | H5 | 1.1° | 0.1° |
H6 | C11 | C12 | H7 | 0.7° | 0.1° |