8P3
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C6 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
C1 | H1 | sing | 1.08Å | 1.08Å | |
C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C4 | C3 | sing | 1.39Å | 1.37Å | Aromatic |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C5 | C4 | doub | 1.39Å | 1.36Å | Aromatic |
N10 | C4 | sing | 1.40Å | 1.39Å | |
C7 | C5 | sing | 1.51Å | 1.49Å | |
C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C8 | C7 | sing | 1.51Å | 1.50Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C7 | H7A | sing | 1.09Å | 1.10Å | |
O9 | C8 | doub | 1.21Å | 1.22Å | |
C8 | N10 | sing | 1.34Å | 1.38Å | |
N10 | C11 | sing | 1.47Å | 1.44Å | |
C12 | C11 | sing | 1.51Å | 1.50Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C11 | H11A | sing | 1.09Å | 1.10Å | |
C17 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
C12 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
C14 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
C13 | C18 | sing | 1.48Å | 1.49Å | |
C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
C14 | H14 | sing | 1.08Å | 1.08Å | |
C16 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
C15 | H15 | sing | 1.08Å | 1.08Å | |
C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
C16 | H16 | sing | 1.08Å | 1.08Å | |
C17 | H17 | sing | 1.08Å | 1.08Å | |
C18 | O19 | doub | 1.21Å | 1.26Å | |
C18 | O20 | sing | 1.35Å | 1.26Å | |
O20 | HO20 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C6 | C1 | C2 | 121.3° | 119.9° |
C6 | C1 | H1 | 119.4° | 120.1° |
C1 | C6 | C5 | 118.0° | 119.9° |
C1 | C6 | H6 | 121.0° | 120.1° |
C2 | C1 | H1 | 119.4° | 120.1° |
C1 | C2 | C3 | 120.4° | 120.4° |
C1 | C2 | H2 | 119.8° | 119.8° |
C3 | C2 | H2 | 119.8° | 119.8° |
C2 | C3 | C4 | 117.6° | 120.1° |
C2 | C3 | H3 | 121.2° | 119.9° |
C4 | C3 | H3 | 121.2° | 119.9° |
C3 | C4 | C5 | 122.2° | 118.9° |
C3 | C4 | N10 | 129.5° | 130.9° |
C5 | C4 | N10 | 108.3° | 110.2° |
C4 | C5 | C7 | 110.4° | 106.4° |
C4 | C5 | C6 | 120.6° | 120.8° |
C4 | N10 | C8 | 111.4° | 112.3° |
C4 | N10 | C11 | 122.7° | 123.8° |
C7 | C5 | C6 | 129.0° | 132.8° |
C5 | C7 | C8 | 102.2° | 104.1° |
C5 | C7 | H7 | 111.3° | 110.5° |
C5 | C7 | H7A | 111.3° | 110.5° |
C5 | C6 | H6 | 121.0° | 120.0° |
C8 | C7 | H7 | 111.2° | 110.5° |
C8 | C7 | H7A | 111.2° | 110.6° |
C7 | C8 | O9 | 124.1° | 126.4° |
C7 | C8 | N10 | 107.0° | 107.1° |
H7 | C7 | H7A | 109.5° | 110.5° |
O9 | C8 | N10 | 129.0° | 126.4° |
C8 | N10 | C11 | 125.8° | 123.9° |
N10 | C11 | C12 | 115.8° | 109.5° |
N10 | C11 | H11 | 107.9° | 109.4° |
N10 | C11 | H11A | 107.9° | 109.5° |
C12 | C11 | H11 | 107.9° | 109.5° |
C12 | C11 | H11A | 107.9° | 109.5° |
C11 | C12 | C17 | 121.1° | 120.1° |
C11 | C12 | C13 | 120.0° | 120.1° |
H11 | C11 | H11A | 109.4° | 109.5° |
C17 | C12 | C13 | 119.0° | 119.8° |
C12 | C17 | C16 | 121.2° | 120.1° |
C12 | C17 | H17 | 119.4° | 119.9° |
C12 | C13 | C14 | 119.4° | 119.7° |
C12 | C13 | C18 | 122.1° | 120.2° |
C14 | C13 | C18 | 118.5° | 120.1° |
C13 | C14 | C15 | 121.1° | 119.8° |
C13 | C14 | H14 | 119.4° | 120.0° |
C13 | C18 | O19 | 116.9° | 120.0° |
C13 | C18 | O20 | 118.5° | 120.0° |
C15 | C14 | H14 | 119.4° | 120.1° |
C14 | C15 | C16 | 119.4° | 120.1° |
C14 | C15 | H15 | 120.3° | 120.0° |
C16 | C15 | H15 | 120.3° | 119.9° |
C15 | C16 | C17 | 119.8° | 120.3° |
C15 | C16 | H16 | 120.1° | 119.9° |
C17 | C16 | H16 | 120.1° | 119.8° |
C16 | C17 | H17 | 119.4° | 119.9° |
O19 | C18 | O20 | 124.6° | 120.0° |
C18 | O20 | HO20 | 109.5° | 117.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C6 | C1 | C2 | H1 | 180.0° | 179.6° |
C6 | C1 | C2 | C3 | 0.0° | 0.4° |
C6 | C1 | C2 | H2 | 180.0° | 179.7° |
C1 | C6 | C5 | C4 | 0.2° | 0.6° |
C1 | C6 | C5 | C7 | 179.8° | 179.8° |
C1 | C6 | C5 | H6 | 180.0° | 179.4° |
C1 | C2 | C3 | H2 | 180.0° | 179.9° |
C1 | C2 | C3 | C4 | 0.1° | 0.1° |
C1 | C2 | C3 | H3 | 179.9° | 180.0° |
C2 | C1 | C6 | C5 | 0.2° | 0.6° |
C2 | C1 | C6 | H6 | 179.8° | 180.0° |
H1 | C1 | C2 | C3 | 180.0° | 180.0° |
H1 | C1 | C2 | H2 | 0.0° | 0.1° |
H1 | C1 | C6 | C5 | 179.8° | 179.8° |
H1 | C1 | C6 | H6 | 0.2° | 0.3° |
C2 | C3 | C4 | H3 | 180.0° | 180.0° |
C2 | C3 | C4 | C5 | 0.1° | 0.0° |
C2 | C3 | C4 | N10 | 179.4° | 180.0° |
H2 | C2 | C3 | C4 | 179.9° | 180.0° |
H2 | C2 | C3 | H3 | 0.1° | 0.0° |
C3 | C4 | C5 | N10 | 179.6° | 180.0° |
C3 | C4 | C5 | C7 | 180.0° | 180.0° |
C3 | C4 | C5 | C6 | 0.1° | 0.3° |
C3 | C4 | N10 | C8 | 174.4° | 180.0° |
C3 | C4 | N10 | C11 | 1.6° | 0.0° |
H3 | C3 | C4 | C5 | 179.9° | 180.0° |
H3 | C3 | C4 | N10 | 0.5° | 0.0° |
C4 | C5 | C7 | C6 | 179.9° | 179.7° |
C4 | C5 | C6 | H6 | 179.8° | 180.0° |
C4 | C5 | C7 | C8 | 5.1° | 0.0° |
C4 | C5 | C7 | H7 | 113.8° | 118.6° |
C4 | C5 | C7 | H7A | 123.9° | 118.8° |
C5 | C4 | N10 | C8 | 5.2° | 0.0° |
C5 | C4 | N10 | C11 | 178.8° | 180.0° |
N10 | C4 | C5 | C7 | 0.3° | 0.0° |
N10 | C4 | C5 | C6 | 179.7° | 179.7° |
C4 | N10 | C8 | C7 | 8.4° | 0.0° |
C4 | N10 | C8 | O9 | 170.7° | 180.0° |
C4 | N10 | C8 | C11 | 175.8° | 180.0° |
C4 | N10 | C11 | C12 | 82.6° | 85.6° |
C4 | N10 | C11 | H11 | 38.3° | 154.4° |
C4 | N10 | C11 | H11A | 156.4° | 34.5° |
C7 | C5 | C6 | H6 | 0.1° | 0.4° |
C5 | C7 | C8 | H7 | 118.8° | 118.7° |
C5 | C7 | C8 | H7A | 118.9° | 118.7° |
C5 | C7 | H7 | H7A | 123.4° | 122.7° |
C5 | C7 | C8 | O9 | 171.2° | 180.0° |
C5 | C7 | C8 | N10 | 7.9° | 0.0° |
C6 | C5 | C7 | C8 | 175.0° | 179.7° |
C6 | C5 | C7 | H7 | 66.2° | 61.0° |
C6 | C5 | C7 | H7A | 56.2° | 61.6° |
C8 | C7 | H7 | H7A | 123.3° | 122.7° |
C7 | C8 | O9 | N10 | 178.9° | 180.0° |
C7 | C8 | N10 | C11 | 175.8° | 180.0° |
H7 | C7 | C8 | O9 | 69.9° | 61.3° |
H7 | C7 | C8 | N10 | 111.0° | 118.7° |
H7A | C7 | C8 | O9 | 52.4° | 61.3° |
H7A | C7 | C8 | N10 | 126.7° | 118.7° |
O9 | C8 | N10 | C11 | 5.1° | 0.0° |
C8 | N10 | C11 | C12 | 92.8° | 94.4° |
C8 | N10 | C11 | H11 | 146.3° | 25.6° |
C8 | N10 | C11 | H11A | 28.2° | 145.5° |
N10 | C11 | C12 | H11 | 120.9° | 120.0° |
N10 | C11 | C12 | H11A | 120.9° | 120.0° |
N10 | C11 | H11 | H11A | 117.1° | 120.0° |
N10 | C11 | C12 | C17 | 5.9° | 2.4° |
N10 | C11 | C12 | C13 | 174.4° | 177.3° |
C12 | C11 | H11 | H11A | 117.1° | 120.1° |
C11 | C12 | C17 | C13 | 179.7° | 179.7° |
C11 | C12 | C13 | C14 | 179.6° | 179.9° |
C11 | C12 | C13 | C18 | 0.5° | 0.0° |
C11 | C12 | C17 | C16 | 179.8° | 179.7° |
C11 | C12 | C17 | H17 | 0.1° | 0.3° |
H11 | C11 | C12 | C17 | 126.8° | 117.6° |
H11 | C11 | C12 | C13 | 53.5° | 62.7° |
H11A | C11 | C12 | C17 | 115.0° | 122.4° |
H11A | C11 | C12 | C13 | 64.6° | 57.3° |
C17 | C12 | C13 | C14 | 0.0° | 0.2° |
C17 | C12 | C13 | C18 | 179.8° | 179.7° |
C12 | C17 | C16 | C15 | 0.4° | 0.6° |
C12 | C17 | C16 | H17 | 180.0° | 179.4° |
C12 | C17 | C16 | H16 | 179.6° | 179.7° |
C12 | C13 | C14 | C18 | 179.9° | 180.0° |
C12 | C13 | C14 | C15 | 0.1° | 0.1° |
C12 | C13 | C14 | H14 | 179.9° | 180.0° |
C13 | C12 | C17 | C16 | 0.2° | 0.6° |
C13 | C12 | C17 | H17 | 179.8° | 180.0° |
C12 | C13 | C18 | O19 | 145.5° | 5.8° |
C12 | C13 | C18 | O20 | 34.5° | 174.2° |
C13 | C14 | C15 | H14 | 180.0° | 179.9° |
C13 | C14 | C15 | C16 | 0.1° | 0.0° |
C13 | C14 | C15 | H15 | 179.9° | 180.0° |
C14 | C13 | C18 | O19 | 34.4° | 174.2° |
C14 | C13 | C18 | O20 | 145.6° | 5.9° |
C18 | C13 | C14 | C15 | 179.8° | 180.0° |
C18 | C13 | C14 | H14 | 0.2° | 0.1° |
C13 | C18 | O19 | O20 | 180.0° | 179.9° |
C13 | C18 | O20 | HO20 | 180.0° | 180.0° |
C14 | C15 | C16 | H15 | 180.0° | 180.0° |
C14 | C15 | C16 | C17 | 0.3° | 0.3° |
C14 | C15 | C16 | H16 | 179.7° | 180.0° |
H14 | C14 | C15 | C16 | 179.9° | 179.9° |
H14 | C14 | C15 | H15 | 0.1° | 0.1° |
C15 | C16 | C17 | H16 | 180.0° | 179.7° |
C15 | C16 | C17 | H17 | 179.6° | 180.0° |
H15 | C15 | C16 | C17 | 179.7° | 179.7° |
H15 | C15 | C16 | H16 | 0.3° | 0.0° |
H16 | C16 | C17 | H17 | 0.4° | 0.3° |
O19 | C18 | O20 | HO20 | 0.0° | 0.1° |