8GK
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C5 | C6 | doub | 1.36Å | 1.39Å | Aromatic |
C5 | C4 | sing | 1.41Å | 1.40Å | Aromatic |
C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
C8 | C4 | doub | 1.41Å | 1.39Å | Aromatic |
C8 | C9 | sing | 1.36Å | 1.39Å | Aromatic |
C4 | C3 | sing | 1.42Å | 1.39Å | Aromatic |
C7 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
C3 | C2 | sing | 1.46Å | 1.39Å | Aromatic |
C3 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
C2 | C1 | sing | 1.47Å | 1.49Å | |
C10 | C11 | sing | 1.36Å | 1.39Å | Aromatic |
O12 | C1 | doub | 1.22Å | 1.21Å | |
C1 | N13 | sing | 1.35Å | 1.33Å | |
N13 | O14 | sing | 1.42Å | 1.39Å | |
C5 | H1 | sing | 1.08Å | 1.08Å | |
C6 | H2 | sing | 1.08Å | 1.08Å | |
C7 | H3 | sing | 1.08Å | 1.08Å | |
C8 | H4 | sing | 1.08Å | 1.08Å | |
C9 | H5 | sing | 1.08Å | 1.08Å | |
C10 | H6 | sing | 1.08Å | 1.08Å | |
C11 | H7 | sing | 1.08Å | 1.08Å | |
N13 | H8 | sing | 0.97Å | 1.00Å | |
O14 | H9 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C6 | C5 | C4 | 119.8° | 120.6° |
C5 | C6 | C7 | 119.7° | 121.8° |
C6 | C5 | H1 | 120.1° | 119.7° |
C5 | C6 | H2 | 120.1° | 119.1° |
C5 | C4 | C8 | 120.6° | 121.3° |
C5 | C4 | C3 | 120.3° | 119.5° |
C4 | C5 | H1 | 120.1° | 119.7° |
C6 | C7 | C2 | 120.2° | 120.6° |
C7 | C6 | H2 | 120.2° | 119.1° |
C6 | C7 | H3 | 119.9° | 119.7° |
C4 | C8 | C9 | 120.9° | 119.6° |
C8 | C4 | C3 | 119.0° | 119.2° |
C4 | C8 | H4 | 119.5° | 120.2° |
C8 | C9 | C10 | 119.9° | 121.1° |
C9 | C8 | H4 | 119.6° | 120.2° |
C8 | C9 | H5 | 120.1° | 119.5° |
C4 | C3 | C2 | 119.7° | 118.9° |
C4 | C3 | C11 | 120.2° | 119.6° |
C7 | C2 | C3 | 120.2° | 118.6° |
C7 | C2 | C1 | 121.5° | 120.7° |
C2 | C7 | H3 | 119.9° | 119.7° |
C9 | C10 | C11 | 119.3° | 120.9° |
C10 | C9 | H5 | 120.0° | 119.5° |
C9 | C10 | H6 | 120.4° | 119.6° |
C2 | C3 | C11 | 120.1° | 121.5° |
C3 | C2 | C1 | 118.3° | 120.7° |
C3 | C11 | C10 | 120.6° | 119.6° |
C3 | C11 | H7 | 119.7° | 120.2° |
C2 | C1 | O12 | 116.7° | 120.0° |
C2 | C1 | N13 | 121.9° | 120.0° |
C11 | C10 | H6 | 120.3° | 119.5° |
C10 | C11 | H7 | 119.7° | 120.2° |
O12 | C1 | N13 | 121.4° | 120.0° |
C1 | N13 | O14 | 117.0° | 120.0° |
C1 | N13 | H8 | 121.5° | 120.0° |
O14 | N13 | H8 | 121.5° | 120.0° |
N13 | O14 | H9 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C6 | C5 | C4 | H1 | 180.0° | 179.7° |
C5 | C6 | C7 | H2 | 180.0° | 179.8° |
C6 | C5 | C4 | C8 | 179.8° | 180.0° |
C6 | C5 | C4 | C3 | 0.4° | 0.0° |
C5 | C6 | C7 | C2 | 0.5° | 0.5° |
C5 | C6 | C7 | H3 | 179.5° | 180.0° |
C4 | C5 | C6 | C7 | 0.4° | 0.2° |
C5 | C4 | C8 | C3 | 179.8° | 180.0° |
C5 | C4 | C8 | C9 | 180.0° | 179.9° |
C5 | C4 | C3 | C2 | 0.6° | 0.0° |
C5 | C4 | C3 | C11 | 179.9° | 180.0° |
C4 | C5 | C6 | H2 | 179.6° | 180.0° |
C5 | C4 | C8 | H4 | 0.0° | 0.0° |
C6 | C7 | C2 | H3 | 180.0° | 179.5° |
C6 | C7 | C2 | C3 | 0.6° | 0.5° |
C6 | C7 | C2 | C1 | 179.0° | 179.8° |
C7 | C6 | C5 | H1 | 179.7° | 180.0° |
C4 | C8 | C9 | H4 | 180.0° | 180.0° |
C4 | C8 | C9 | C10 | 0.1° | 0.0° |
C8 | C4 | C3 | C2 | 179.6° | 180.0° |
C8 | C4 | C3 | C11 | 0.1° | 0.0° |
C8 | C4 | C5 | H1 | 0.2° | 0.3° |
C4 | C8 | C9 | H5 | 179.9° | 180.0° |
C9 | C8 | C4 | C3 | 0.2° | 0.0° |
C8 | C9 | C10 | H5 | 180.0° | 180.0° |
C8 | C9 | C10 | C11 | 0.2° | 0.0° |
C8 | C9 | C10 | H6 | 179.8° | 180.0° |
C4 | C3 | C2 | C7 | 0.7° | 0.3° |
C4 | C3 | C2 | C11 | 179.5° | 180.0° |
C4 | C3 | C2 | C1 | 179.1° | 180.0° |
C4 | C3 | C11 | C10 | 0.1° | 0.0° |
C3 | C4 | C5 | H1 | 179.6° | 179.7° |
C3 | C4 | C8 | H4 | 179.8° | 180.0° |
C4 | C3 | C11 | H7 | 179.9° | 179.9° |
C7 | C2 | C3 | C1 | 178.4° | 179.7° |
C7 | C2 | C3 | C11 | 179.8° | 179.7° |
C7 | C2 | C1 | O12 | 110.9° | 174.3° |
C7 | C2 | C1 | N13 | 71.0° | 6.1° |
C2 | C7 | C6 | H2 | 179.5° | 179.7° |
C9 | C10 | C11 | C3 | 0.3° | 0.0° |
C9 | C10 | C11 | H6 | 180.0° | 180.0° |
C10 | C9 | C8 | H4 | 179.9° | 180.0° |
C9 | C10 | C11 | H7 | 179.7° | 179.9° |
C2 | C3 | C11 | C10 | 179.4° | 180.0° |
C3 | C2 | C1 | O12 | 67.5° | 5.4° |
C3 | C2 | C1 | N13 | 110.7° | 174.2° |
C3 | C2 | C7 | H3 | 179.3° | 180.0° |
C2 | C3 | C11 | H7 | 0.6° | 0.1° |
C11 | C3 | C2 | C1 | 1.4° | 0.0° |
C3 | C11 | C10 | H7 | 180.0° | 179.9° |
C3 | C11 | C10 | H6 | 179.7° | 180.0° |
C2 | C1 | O12 | N13 | 178.2° | 179.7° |
C2 | C1 | N13 | O14 | 146.6° | 180.0° |
C1 | C2 | C7 | H3 | 1.0° | 0.3° |
C2 | C1 | N13 | H8 | 33.4° | 0.0° |
C11 | C10 | C9 | H5 | 179.8° | 180.0° |
O12 | C1 | N13 | O14 | 31.5° | 0.3° |
O12 | C1 | N13 | H8 | 148.5° | 179.7° |
C1 | N13 | O14 | H8 | 180.0° | 180.0° |
C1 | N13 | O14 | H9 | 14.1° | 180.0° |
H1 | C5 | C6 | H2 | 0.3° | 0.2° |
H2 | C6 | C7 | H3 | 0.5° | 0.2° |
H4 | C8 | C9 | H5 | 0.1° | 0.0° |
H5 | C9 | C10 | H6 | 0.2° | 0.0° |
H6 | C10 | C11 | H7 | 0.3° | 0.1° |
H8 | N13 | O14 | H9 | 165.9° | 0.0° |