7ZF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
C2 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
C1 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
C4 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
C3 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
C7 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
C7 | N14 | sing | 1.40Å | 1.41Å | |
N14 | C9 | sing | 1.38Å | 1.40Å | |
C9 | N11 | doub | 1.33Å | 1.34Å | Aromatic |
C9 | N12 | sing | 1.33Å | 1.33Å | Aromatic |
N11 | C6 | sing | 1.32Å | 1.33Å | Aromatic |
N12 | C8 | doub | 1.33Å | 1.34Å | Aromatic |
C6 | N10 | doub | 1.32Å | 1.33Å | Aromatic |
C8 | N10 | sing | 1.33Å | 1.34Å | Aromatic |
C8 | N13 | sing | 1.38Å | 1.36Å | |
C4 | H1 | sing | 1.08Å | 1.08Å | |
C5 | H2 | sing | 1.08Å | 1.08Å | |
C6 | H3 | sing | 1.08Å | 1.08Å | |
C1 | H4 | sing | 1.08Å | 1.08Å | |
C2 | H5 | sing | 1.08Å | 1.08Å | |
C3 | H6 | sing | 1.08Å | 1.08Å | |
N13 | H7 | sing | 0.97Å | 1.00Å | |
N13 | H8 | sing | 0.97Å | 1.00Å | |
N14 | H9 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | C2 | C4 | 119.6° | 120.1° |
C2 | C1 | C3 | 120.5° | 120.1° |
C2 | C1 | H4 | 119.7° | 119.9° |
C1 | C2 | H5 | 120.2° | 120.0° |
C2 | C4 | C7 | 120.2° | 119.9° |
C2 | C4 | H1 | 119.9° | 120.0° |
C4 | C2 | H5 | 120.2° | 120.0° |
C1 | C3 | C5 | 119.6° | 120.1° |
C3 | C1 | H4 | 119.7° | 119.9° |
C1 | C3 | H6 | 120.2° | 120.0° |
C4 | C7 | C5 | 120.2° | 119.9° |
C4 | C7 | N14 | 117.3° | 120.0° |
C7 | C4 | H1 | 119.9° | 120.1° |
C3 | C5 | C7 | 119.9° | 119.9° |
C3 | C5 | H2 | 120.1° | 120.1° |
C5 | C3 | H6 | 120.2° | 119.9° |
C5 | C7 | N14 | 122.5° | 120.1° |
C7 | C5 | H2 | 120.0° | 120.0° |
C7 | N14 | C9 | 122.1° | 120.0° |
C7 | N14 | H9 | 118.9° | 120.0° |
N14 | C9 | N11 | 118.3° | 120.0° |
N14 | C9 | N12 | 117.4° | 120.0° |
C9 | N14 | H9 | 119.0° | 120.0° |
N11 | C9 | N12 | 124.3° | 119.9° |
C9 | N11 | C6 | 116.0° | 120.1° |
C9 | N12 | C8 | 114.1° | 119.8° |
N11 | C6 | N10 | 125.5° | 120.2° |
N11 | C6 | H3 | 117.2° | 120.0° |
N12 | C8 | N10 | 126.7° | 119.9° |
N12 | C8 | N13 | 116.4° | 120.0° |
C6 | N10 | C8 | 113.4° | 120.1° |
N10 | C6 | H3 | 117.3° | 119.8° |
N10 | C8 | N13 | 116.9° | 120.1° |
C8 | N13 | H7 | 109.5° | 120.0° |
C8 | N13 | H8 | 109.5° | 120.1° |
H7 | N13 | H8 | 109.4° | 119.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | C2 | C4 | H5 | 180.0° | 180.0° |
C2 | C1 | C3 | H4 | 180.0° | 179.2° |
C1 | C2 | C4 | C7 | 0.3° | 0.0° |
C2 | C1 | C3 | C5 | 0.1° | 0.8° |
C1 | C2 | C4 | H1 | 179.7° | 179.7° |
C2 | C1 | C3 | H6 | 179.9° | 179.2° |
C4 | C2 | C1 | C3 | 0.0° | 0.5° |
C2 | C4 | C7 | H1 | 180.0° | 179.7° |
C2 | C4 | C7 | C5 | 0.4° | 0.2° |
C2 | C4 | C7 | N14 | 179.8° | 179.8° |
C4 | C2 | C1 | H4 | 179.9° | 179.7° |
C1 | C3 | C5 | H6 | 180.0° | 180.0° |
C1 | C3 | C5 | C7 | 0.1° | 0.6° |
C1 | C3 | C5 | H2 | 180.0° | 179.5° |
C3 | C1 | C2 | H5 | 180.0° | 179.5° |
C4 | C7 | C5 | C3 | 0.3° | 0.0° |
C4 | C7 | C5 | N14 | 179.8° | 180.0° |
C4 | C7 | N14 | C9 | 128.4° | 33.3° |
C4 | C7 | C5 | H2 | 179.7° | 180.0° |
C7 | C4 | C2 | H5 | 179.8° | 180.0° |
C4 | C7 | N14 | H9 | 51.6° | 146.7° |
C3 | C5 | C7 | H2 | 180.0° | 180.0° |
C3 | C5 | C7 | N14 | 179.9° | 180.0° |
C5 | C3 | C1 | H4 | 180.0° | 180.0° |
C5 | C7 | N14 | C9 | 51.7° | 146.7° |
C5 | C7 | C4 | H1 | 179.6° | 180.0° |
C7 | C5 | C3 | H6 | 180.0° | 179.4° |
C5 | C7 | N14 | H9 | 128.3° | 33.3° |
C7 | N14 | C9 | H9 | 180.0° | 180.0° |
C7 | N14 | C9 | N11 | 0.1° | 5.6° |
C7 | N14 | C9 | N12 | 179.4° | 174.0° |
N14 | C7 | C4 | H1 | 0.3° | 0.0° |
N14 | C7 | C5 | H2 | 0.1° | 0.0° |
N14 | C9 | N11 | N12 | 179.2° | 179.6° |
N14 | C9 | N11 | C6 | 179.7° | 180.0° |
N14 | C9 | N12 | C8 | 178.6° | 179.7° |
N11 | C9 | N12 | C8 | 0.6° | 0.8° |
C9 | N11 | C6 | N10 | 1.1° | 0.1° |
C9 | N11 | C6 | H3 | 178.8° | 179.8° |
N11 | C9 | N14 | H9 | 179.9° | 174.4° |
N12 | C9 | N11 | C6 | 0.5° | 0.4° |
C9 | N12 | C8 | N10 | 1.2° | 0.6° |
C9 | N12 | C8 | N13 | 179.2° | 179.5° |
N12 | C9 | N14 | H9 | 0.6° | 6.0° |
N11 | C6 | N10 | H3 | 180.0° | 179.7° |
N11 | C6 | N10 | C8 | 0.6° | 0.3° |
N12 | C8 | N10 | C6 | 0.6° | 0.0° |
N12 | C8 | N10 | N13 | 179.6° | 180.0° |
N12 | C8 | N13 | H7 | 0.0° | 179.9° |
N12 | C8 | N13 | H8 | 120.0° | 0.0° |
C6 | N10 | C8 | N13 | 179.8° | 180.0° |
C8 | N10 | C6 | H3 | 179.3° | 180.0° |
N10 | C8 | N13 | H7 | 179.7° | 0.0° |
N10 | C8 | N13 | H8 | 59.7° | 180.0° |
C8 | N13 | H7 | H8 | 120.0° | 179.9° |
H1 | C4 | C2 | H5 | 0.3° | 0.3° |
H2 | C5 | C3 | H6 | 0.0° | 0.5° |
H4 | C1 | C2 | H5 | 0.0° | 0.3° |
H4 | C1 | C3 | H6 | 0.1° | 0.0° |