FSV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O11 | C10 | sing | 1.36Å | 1.41Å | |
C09 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
C09 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
C10 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
C08 | C07 | doub | 1.40Å | 1.38Å | Aromatic |
C12 | F13 | sing | 1.35Å | 1.34Å | |
C12 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
C07 | C14 | sing | 1.40Å | 1.38Å | Aromatic |
C07 | C06 | sing | 1.47Å | 1.51Å | |
C06 | C05 | doub | 1.34Å | 1.35Å | |
C05 | C04 | sing | 1.47Å | 1.51Å | |
C04 | C03 | doub | 1.40Å | 1.39Å | Aromatic |
C04 | C15 | sing | 1.40Å | 1.38Å | Aromatic |
C03 | C02 | sing | 1.38Å | 1.38Å | Aromatic |
C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
C02 | O01 | sing | 1.36Å | 1.41Å | |
C02 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
C16 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
C16 | O17 | sing | 1.36Å | 1.40Å | |
O01 | H1 | sing | 0.97Å | 0.95Å | |
C03 | H2 | sing | 1.08Å | 1.08Å | |
C05 | H3 | sing | 1.08Å | 1.08Å | |
C06 | H4 | sing | 1.08Å | 1.08Å | |
C08 | H5 | sing | 1.08Å | 1.08Å | |
C09 | H6 | sing | 1.08Å | 1.08Å | |
O11 | H7 | sing | 0.97Å | 0.95Å | |
C14 | H8 | sing | 1.08Å | 1.08Å | |
C15 | H9 | sing | 1.08Å | 1.08Å | |
O17 | H10 | sing | 0.97Å | 0.95Å | |
C18 | H11 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O11 | C10 | C09 | 119.9° | 119.9° |
O11 | C10 | C12 | 120.1° | 119.9° |
C10 | O11 | H7 | 109.5° | 114.0° |
C10 | C09 | C08 | 119.9° | 120.1° |
C09 | C10 | C12 | 120.0° | 120.2° |
C10 | C09 | H6 | 120.1° | 119.9° |
C09 | C08 | C07 | 120.0° | 119.9° |
C09 | C08 | H5 | 120.0° | 120.1° |
C08 | C09 | H6 | 120.1° | 119.9° |
C10 | C12 | F13 | 119.9° | 120.0° |
C10 | C12 | C14 | 120.3° | 120.1° |
C08 | C07 | C14 | 120.3° | 119.8° |
C08 | C07 | C06 | 119.4° | 120.1° |
C07 | C08 | H5 | 120.0° | 120.0° |
F13 | C12 | C14 | 119.9° | 120.0° |
C12 | C14 | C07 | 119.6° | 119.8° |
C12 | C14 | H8 | 120.2° | 120.1° |
C14 | C07 | C06 | 120.3° | 120.1° |
C07 | C14 | H8 | 120.2° | 120.1° |
C07 | C06 | C05 | 120.2° | 120.0° |
C07 | C06 | H4 | 119.9° | 120.0° |
C06 | C05 | C04 | 118.3° | 120.0° |
C06 | C05 | H3 | 120.8° | 120.0° |
C05 | C06 | H4 | 119.9° | 120.0° |
C05 | C04 | C03 | 119.7° | 120.1° |
C05 | C04 | C15 | 120.2° | 120.1° |
C04 | C05 | H3 | 120.8° | 120.0° |
C03 | C04 | C15 | 120.2° | 119.8° |
C04 | C03 | C02 | 120.2° | 119.9° |
C04 | C03 | H2 | 119.9° | 120.1° |
C04 | C15 | C16 | 119.5° | 119.9° |
C04 | C15 | H9 | 120.3° | 120.0° |
C03 | C02 | O01 | 120.2° | 120.0° |
C03 | C02 | C18 | 119.7° | 120.1° |
C02 | C03 | H2 | 119.9° | 120.0° |
C15 | C16 | C18 | 120.4° | 120.1° |
C15 | C16 | O17 | 119.7° | 119.9° |
C16 | C15 | H9 | 120.3° | 120.1° |
O01 | C02 | C18 | 120.1° | 119.9° |
C02 | O01 | H1 | 109.5° | 114.0° |
C02 | C18 | C16 | 120.0° | 120.2° |
C02 | C18 | H11 | 120.0° | 119.8° |
C18 | C16 | O17 | 119.9° | 119.9° |
C16 | C18 | H11 | 120.0° | 119.9° |
C16 | O17 | H10 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O11 | C10 | C09 | C12 | 179.9° | 180.0° |
O11 | C10 | C09 | C08 | 179.9° | 180.0° |
O11 | C10 | C12 | F13 | 0.0° | 0.0° |
O11 | C10 | C12 | C14 | 180.0° | 180.0° |
O11 | C10 | C09 | H6 | 0.0° | 0.0° |
C10 | C09 | C08 | H6 | 180.0° | 180.0° |
C10 | C09 | C08 | C07 | 0.2° | 0.0° |
C09 | C10 | C12 | F13 | 180.0° | 180.0° |
C09 | C10 | C12 | C14 | 0.1° | 0.0° |
C10 | C09 | C08 | H5 | 179.8° | 179.9° |
C09 | C10 | O11 | H7 | 180.0° | 90.0° |
C08 | C09 | C10 | C12 | 0.1° | 0.0° |
C09 | C08 | C07 | H5 | 180.0° | 179.9° |
C09 | C08 | C07 | C14 | 0.3° | 0.1° |
C09 | C08 | C07 | C06 | 180.0° | 179.7° |
C10 | C12 | F13 | C14 | 180.0° | 180.0° |
C10 | C12 | C14 | C07 | 0.1° | 0.0° |
C12 | C10 | C09 | H6 | 179.9° | 180.0° |
C12 | C10 | O11 | H7 | 0.0° | 90.0° |
C10 | C12 | C14 | H8 | 179.9° | 179.7° |
C08 | C07 | C14 | C12 | 0.2° | 0.1° |
C08 | C07 | C14 | C06 | 179.7° | 179.6° |
C08 | C07 | C06 | C05 | 176.6° | 0.4° |
C08 | C07 | C06 | H4 | 3.4° | 179.7° |
C07 | C08 | C09 | H6 | 179.8° | 179.9° |
C08 | C07 | C14 | H8 | 179.8° | 179.7° |
F13 | C12 | C14 | C07 | 179.9° | 180.0° |
F13 | C12 | C14 | H8 | 0.0° | 0.2° |
C12 | C14 | C07 | H8 | 180.0° | 179.8° |
C12 | C14 | C07 | C06 | 180.0° | 179.7° |
C14 | C07 | C06 | C05 | 3.1° | 180.0° |
C14 | C07 | C06 | H4 | 176.9° | 0.1° |
C14 | C07 | C08 | H5 | 179.7° | 180.0° |
C07 | C06 | C05 | H4 | 180.0° | 179.9° |
C07 | C06 | C05 | C04 | 179.4° | 180.0° |
C07 | C06 | C05 | H3 | 0.6° | 0.1° |
C06 | C07 | C08 | H5 | 0.0° | 0.4° |
C06 | C07 | C14 | H8 | 0.1° | 0.1° |
C06 | C05 | C04 | H3 | 180.0° | 179.9° |
C06 | C05 | C04 | C03 | 25.0° | 180.0° |
C06 | C05 | C04 | C15 | 155.2° | 0.0° |
C05 | C04 | C03 | C15 | 179.8° | 180.0° |
C05 | C04 | C03 | C02 | 179.9° | 180.0° |
C05 | C04 | C15 | C16 | 179.8° | 180.0° |
C05 | C04 | C03 | H2 | 0.1° | 0.0° |
C04 | C05 | C06 | H4 | 0.6° | 0.1° |
C05 | C04 | C15 | H9 | 0.2° | 0.1° |
C04 | C03 | C02 | H2 | 180.0° | 180.0° |
C03 | C04 | C15 | C16 | 0.0° | 0.0° |
C04 | C03 | C02 | O01 | 180.0° | 180.0° |
C04 | C03 | C02 | C18 | 0.5° | 0.2° |
C03 | C04 | C05 | H3 | 155.0° | 0.1° |
C03 | C04 | C15 | H9 | 180.0° | 179.9° |
C15 | C04 | C03 | C02 | 0.3° | 0.0° |
C04 | C15 | C16 | H9 | 180.0° | 179.9° |
C04 | C15 | C16 | C18 | 0.0° | 0.3° |
C04 | C15 | C16 | O17 | 179.8° | 179.9° |
C15 | C04 | C03 | H2 | 179.7° | 180.0° |
C15 | C04 | C05 | H3 | 24.8° | 180.0° |
C03 | C02 | O01 | C18 | 179.5° | 179.8° |
C03 | C02 | C18 | C16 | 0.5° | 0.5° |
C03 | C02 | O01 | H1 | 180.0° | 89.8° |
C03 | C02 | C18 | H11 | 179.5° | 179.7° |
C15 | C16 | C18 | C02 | 0.2° | 0.5° |
C15 | C16 | C18 | O17 | 179.8° | 179.7° |
C15 | C16 | O17 | H10 | 180.0° | 90.0° |
C15 | C16 | C18 | H11 | 179.8° | 179.7° |
O01 | C02 | C18 | C16 | 180.0° | 179.8° |
O01 | C02 | C03 | H2 | 0.0° | 0.0° |
O01 | C02 | C18 | H11 | 0.0° | 0.0° |
C02 | C18 | C16 | H11 | 180.0° | 179.8° |
C02 | C18 | C16 | O17 | 179.6° | 179.8° |
C18 | C02 | O01 | H1 | 0.5° | 90.0° |
C18 | C02 | C03 | H2 | 179.5° | 179.8° |
C18 | C16 | C15 | H9 | 180.0° | 179.8° |
C18 | C16 | O17 | H10 | 0.1° | 89.7° |
O17 | C16 | C15 | H9 | 0.1° | 0.1° |
O17 | C16 | C18 | H11 | 0.4° | 0.0° |
H3 | C05 | C06 | H4 | 179.4° | 180.0° |
H5 | C08 | C09 | H6 | 0.2° | 0.1° |