65V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O8 | C5 | sing | 1.36Å | 1.38Å | |
| C5 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.37Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| F10 | C4 | sing | 1.35Å | 1.33Å | |
| C4 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C7 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | N12 | sing | 1.40Å | 1.41Å | |
| N16 | N12 | sing | 1.40Å | 1.37Å | Aromatic |
| N16 | N15 | doub | 1.29Å | 1.38Å | Aromatic |
| N12 | C13 | sing | 1.35Å | 1.32Å | Aromatic |
| N15 | C14 | sing | 1.34Å | 1.36Å | Aromatic |
| C13 | C14 | doub | 1.36Å | 1.37Å | Aromatic |
| C14 | C17 | sing | 1.48Å | 1.47Å | |
| C17 | N22 | doub | 1.32Å | 1.34Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| N22 | C21 | sing | 1.34Å | 1.36Å | Aromatic |
| C18 | C19 | doub | 1.36Å | 1.39Å | Aromatic |
| C21 | C26 | doub | 1.41Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.42Å | 1.41Å | Aromatic |
| C26 | C25 | sing | 1.36Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.41Å | 1.40Å | Aromatic |
| C20 | C23 | doub | 1.41Å | 1.40Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | O27 | sing | 1.36Å | 1.37Å | |
| C29 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| O27 | C28 | sing | 1.36Å | 1.38Å | |
| C28 | C33 | sing | 1.39Å | 1.38Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C32 | doub | 1.40Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.40Å | 1.40Å | Aromatic |
| C32 | C34 | sing | 1.48Å | 1.50Å | |
| C34 | O36 | doub | 1.21Å | 1.25Å | |
| C34 | O35 | sing | 1.35Å | 1.25Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| O8 | H4 | sing | 0.97Å | 0.95Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C19 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C25 | H9 | sing | 1.08Å | 1.08Å | |
| C26 | H10 | sing | 1.08Å | 1.08Å | |
| C29 | H11 | sing | 1.08Å | 1.08Å | |
| C30 | H12 | sing | 1.08Å | 1.08Å | |
| C31 | H13 | sing | 1.08Å | 1.08Å | |
| C33 | H14 | sing | 1.08Å | 1.08Å | |
| O35 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O8 | C5 | C6 | 121.7° | 120.0° |
| O8 | C5 | C4 | 121.6° | 120.0° |
| C5 | O8 | H4 | 109.5° | 114.0° |
| C6 | C5 | C4 | 116.7° | 120.0° |
| C5 | C6 | C7 | 120.9° | 120.0° |
| C5 | C6 | H2 | 119.5° | 120.0° |
| C5 | C4 | F10 | 117.5° | 120.0° |
| C5 | C4 | C3 | 123.8° | 120.0° |
| C6 | C7 | C2 | 120.8° | 120.0° |
| C7 | C6 | H2 | 119.5° | 120.0° |
| C6 | C7 | H3 | 119.6° | 120.0° |
| F10 | C4 | C3 | 118.7° | 120.0° |
| C4 | C3 | C2 | 119.5° | 120.0° |
| C4 | C3 | H1 | 120.3° | 120.0° |
| C7 | C2 | C3 | 118.3° | 120.0° |
| C7 | C2 | N12 | 120.4° | 120.1° |
| C2 | C7 | H3 | 119.6° | 120.0° |
| C3 | C2 | N12 | 121.3° | 120.0° |
| C2 | C3 | H1 | 120.2° | 120.0° |
| C2 | N12 | N16 | 118.7° | 126.7° |
| C2 | N12 | C13 | 125.7° | 126.6° |
| N12 | N16 | N15 | 99.7° | 108.3° |
| N16 | N12 | C13 | 115.5° | 106.7° |
| N16 | N15 | C14 | 112.8° | 109.6° |
| N12 | C13 | C14 | 105.6° | 106.8° |
| N12 | C13 | H5 | 127.2° | 126.6° |
| N15 | C14 | C13 | 106.5° | 108.6° |
| N15 | C14 | C17 | 122.7° | 125.7° |
| C13 | C14 | C17 | 130.8° | 125.7° |
| C14 | C13 | H5 | 127.2° | 126.6° |
| C14 | C17 | N22 | 116.3° | 119.3° |
| C14 | C17 | C18 | 120.2° | 119.3° |
| N22 | C17 | C18 | 123.5° | 121.5° |
| C17 | N22 | C21 | 118.8° | 121.2° |
| C17 | C18 | C19 | 118.9° | 119.8° |
| C17 | C18 | H6 | 120.5° | 120.1° |
| N22 | C21 | C26 | 118.6° | 120.9° |
| N22 | C21 | C20 | 120.7° | 119.9° |
| C18 | C19 | C20 | 118.4° | 118.3° |
| C19 | C18 | H6 | 120.6° | 120.1° |
| C18 | C19 | H7 | 120.8° | 120.8° |
| C26 | C21 | C20 | 120.7° | 119.3° |
| C21 | C26 | C25 | 119.9° | 120.0° |
| C21 | C26 | H10 | 120.1° | 120.0° |
| C21 | C20 | C19 | 119.8° | 119.2° |
| C21 | C20 | C23 | 118.7° | 119.6° |
| C26 | C25 | C24 | 120.1° | 121.1° |
| C26 | C25 | H9 | 120.0° | 119.4° |
| C25 | C26 | H10 | 120.1° | 120.0° |
| C19 | C20 | C23 | 121.5° | 121.2° |
| C20 | C19 | H7 | 120.8° | 120.9° |
| C20 | C23 | C24 | 120.3° | 119.4° |
| C20 | C23 | O27 | 115.3° | 120.3° |
| C25 | C24 | C23 | 120.4° | 120.7° |
| C25 | C24 | H8 | 119.8° | 119.7° |
| C24 | C25 | H9 | 120.0° | 119.4° |
| C24 | C23 | O27 | 124.4° | 120.3° |
| C23 | C24 | H8 | 119.8° | 119.6° |
| C23 | O27 | C28 | 119.4° | 118.0° |
| C28 | C29 | C30 | 120.3° | 120.3° |
| C29 | C28 | O27 | 123.2° | 120.0° |
| C29 | C28 | C33 | 120.0° | 120.0° |
| C28 | C29 | H11 | 119.9° | 119.9° |
| C29 | C30 | C31 | 119.6° | 120.2° |
| C30 | C29 | H11 | 119.8° | 119.9° |
| C29 | C30 | H12 | 120.2° | 119.9° |
| O27 | C28 | C33 | 116.9° | 120.0° |
| C28 | C33 | C32 | 120.2° | 119.8° |
| C28 | C33 | H14 | 119.9° | 120.1° |
| C30 | C31 | C32 | 119.9° | 120.0° |
| C31 | C30 | H12 | 120.2° | 119.9° |
| C30 | C31 | H13 | 120.1° | 120.0° |
| C33 | C32 | C31 | 120.2° | 119.8° |
| C33 | C32 | C34 | 117.9° | 120.0° |
| C32 | C33 | H14 | 119.9° | 120.2° |
| C31 | C32 | C34 | 121.9° | 120.2° |
| C32 | C31 | H13 | 120.1° | 120.0° |
| C32 | C34 | O36 | 119.2° | 120.1° |
| C32 | C34 | O35 | 118.5° | 119.9° |
| O36 | C34 | O35 | 122.3° | 120.0° |
| C34 | O35 | H15 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | C5 | C6 | C4 | 178.9° | 179.7° |
| O8 | C5 | C6 | C7 | 178.5° | 180.0° |
| O8 | C5 | C4 | F10 | 0.0° | 0.2° |
| O8 | C5 | C4 | C3 | 179.1° | 179.7° |
| O8 | C5 | C6 | H2 | 1.5° | 0.3° |
| C5 | C6 | C7 | H2 | 180.0° | 179.8° |
| C6 | C5 | C4 | F10 | 178.9° | 180.0° |
| C6 | C5 | C4 | C3 | 0.2° | 0.0° |
| C5 | C6 | C7 | C2 | 0.7° | 0.5° |
| C5 | C6 | C7 | H3 | 179.3° | 180.0° |
| C6 | C5 | O8 | H4 | 180.0° | 90.0° |
| C4 | C5 | C6 | C7 | 0.4° | 0.2° |
| C5 | C4 | F10 | C3 | 179.1° | 180.0° |
| C5 | C4 | C3 | C2 | 0.5° | 0.0° |
| C5 | C4 | C3 | H1 | 179.5° | 180.0° |
| C4 | C5 | C6 | H2 | 179.6° | 180.0° |
| C4 | C5 | O8 | H4 | 1.2° | 89.7° |
| C6 | C7 | C2 | H3 | 180.0° | 179.5° |
| C6 | C7 | C2 | C3 | 0.4° | 0.5° |
| C6 | C7 | C2 | N12 | 179.7° | 179.8° |
| F10 | C4 | C3 | C2 | 178.6° | 180.0° |
| F10 | C4 | C3 | H1 | 1.5° | 0.0° |
| C4 | C3 | C2 | C7 | 0.2° | 0.3° |
| C4 | C3 | C2 | H1 | 180.0° | 180.0° |
| C4 | C3 | C2 | N12 | 179.8° | 180.0° |
| C7 | C2 | C3 | N12 | 179.9° | 179.7° |
| C7 | C2 | N12 | N16 | 153.5° | 179.5° |
| C7 | C2 | N12 | C13 | 29.5° | 0.3° |
| C7 | C2 | C3 | H1 | 179.8° | 179.8° |
| C2 | C7 | C6 | H2 | 179.3° | 179.7° |
| C3 | C2 | N12 | N16 | 26.6° | 0.3° |
| C3 | C2 | N12 | C13 | 150.4° | 180.0° |
| C3 | C2 | C7 | H3 | 179.6° | 180.0° |
| C2 | N12 | N16 | C13 | 177.3° | 179.8° |
| C2 | N12 | N16 | N15 | 179.4° | 179.8° |
| C2 | N12 | C13 | C14 | 177.8° | 180.0° |
| N12 | C2 | C3 | H1 | 0.3° | 0.0° |
| N12 | C2 | C7 | H3 | 0.3° | 0.3° |
| C2 | N12 | C13 | H5 | 2.2° | 0.0° |
| N12 | N16 | N15 | C14 | 2.8° | 0.4° |
| N16 | N12 | C13 | C14 | 0.7° | 0.2° |
| N16 | N12 | C13 | H5 | 179.3° | 179.8° |
| N15 | N16 | N12 | C13 | 2.1° | 0.4° |
| N16 | N15 | C14 | C13 | 2.5° | 0.3° |
| N16 | N15 | C14 | C17 | 179.7° | 179.8° |
| N12 | C13 | C14 | N15 | 1.1° | 0.0° |
| N12 | C13 | C14 | H5 | 180.0° | 180.0° |
| N12 | C13 | C14 | C17 | 178.0° | 180.0° |
| N15 | C14 | C13 | C17 | 176.9° | 180.0° |
| N15 | C14 | C17 | N22 | 7.8° | 180.0° |
| N15 | C14 | C17 | C18 | 172.4° | 0.3° |
| N15 | C14 | C13 | H5 | 178.9° | 180.0° |
| C13 | C14 | C17 | N22 | 168.7° | 0.0° |
| C13 | C14 | C17 | C18 | 11.1° | 179.7° |
| C14 | C17 | N22 | C18 | 179.8° | 179.7° |
| C14 | C17 | N22 | C21 | 179.7° | 179.7° |
| C14 | C17 | C18 | C19 | 178.8° | 180.0° |
| C17 | C14 | C13 | H5 | 2.0° | 0.0° |
| C14 | C17 | C18 | H6 | 1.2° | 0.0° |
| N22 | C17 | C18 | C19 | 1.0° | 0.3° |
| C17 | N22 | C21 | C26 | 179.3° | 179.7° |
| C17 | N22 | C21 | C20 | 0.7° | 0.6° |
| N22 | C17 | C18 | H6 | 179.0° | 179.7° |
| C18 | C17 | N22 | C21 | 0.1° | 0.6° |
| C17 | C18 | C19 | H6 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 1.0° | 0.0° |
| C17 | C18 | C19 | H7 | 179.0° | 180.0° |
| N22 | C21 | C26 | C20 | 178.6° | 179.7° |
| N22 | C21 | C26 | C25 | 178.8° | 179.7° |
| N22 | C21 | C20 | C19 | 0.7° | 0.3° |
| N22 | C21 | C20 | C23 | 179.4° | 179.7° |
| N22 | C21 | C26 | H10 | 1.1° | 0.3° |
| C18 | C19 | C20 | C21 | 0.2° | 0.0° |
| C18 | C19 | C20 | H7 | 180.0° | 179.9° |
| C18 | C19 | C20 | C23 | 179.7° | 180.0° |
| C21 | C26 | C25 | H10 | 180.0° | 180.0° |
| C26 | C21 | C20 | C19 | 179.3° | 180.0° |
| C26 | C21 | C20 | C23 | 0.8° | 0.0° |
| C21 | C26 | C25 | C24 | 0.5° | 0.0° |
| C21 | C26 | C25 | H9 | 179.4° | 179.9° |
| C20 | C21 | C26 | C25 | 0.2° | 0.0° |
| C21 | C20 | C19 | C23 | 180.0° | 180.0° |
| C21 | C20 | C23 | C24 | 0.6° | 0.0° |
| C21 | C20 | C23 | O27 | 179.7° | 180.0° |
| C21 | C20 | C19 | H7 | 179.8° | 180.0° |
| C20 | C21 | C26 | H10 | 179.8° | 180.0° |
| C26 | C25 | C24 | H9 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 0.8° | 0.0° |
| C26 | C25 | C24 | H8 | 179.3° | 179.9° |
| C19 | C20 | C23 | C24 | 179.5° | 180.0° |
| C19 | C20 | C23 | O27 | 0.3° | 0.0° |
| C20 | C19 | C18 | H6 | 179.0° | 180.0° |
| C20 | C23 | C24 | C25 | 0.2° | 0.0° |
| C20 | C23 | C24 | O27 | 179.1° | 180.0° |
| C20 | C23 | O27 | C28 | 173.5° | 179.6° |
| C23 | C20 | C19 | H7 | 0.3° | 0.1° |
| C20 | C23 | C24 | H8 | 179.8° | 180.0° |
| C25 | C24 | C23 | H8 | 180.0° | 180.0° |
| C25 | C24 | C23 | O27 | 178.9° | 180.0° |
| C24 | C25 | C26 | H10 | 179.5° | 180.0° |
| C24 | C23 | O27 | C28 | 5.6° | 0.3° |
| C23 | C24 | C25 | H9 | 179.2° | 179.9° |
| C23 | O27 | C28 | C29 | 83.8° | 90.0° |
| C23 | O27 | C28 | C33 | 96.3° | 90.3° |
| O27 | C23 | C24 | H8 | 1.1° | 0.0° |
| C28 | C29 | C30 | H11 | 180.0° | 180.0° |
| C29 | C28 | O27 | C33 | 179.9° | 179.8° |
| C28 | C29 | C30 | C31 | 0.3° | 0.0° |
| C29 | C28 | C33 | C32 | 0.0° | 0.5° |
| C28 | C29 | C30 | H12 | 179.7° | 180.0° |
| C29 | C28 | C33 | H14 | 180.0° | 179.8° |
| C30 | C29 | C28 | O27 | 179.5° | 180.0° |
| C30 | C29 | C28 | C33 | 0.4° | 0.3° |
| C29 | C30 | C31 | H12 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.2° | 0.1° |
| C29 | C30 | C31 | H13 | 179.8° | 180.0° |
| O27 | C28 | C33 | C32 | 179.9° | 179.7° |
| O27 | C28 | C29 | H11 | 0.5° | 0.0° |
| O27 | C28 | C33 | H14 | 0.1° | 0.0° |
| C28 | C33 | C32 | H14 | 180.0° | 179.7° |
| C28 | C33 | C32 | C31 | 0.5° | 0.5° |
| C28 | C33 | C32 | C34 | 179.2° | 179.7° |
| C33 | C28 | C29 | H11 | 179.6° | 179.8° |
| C30 | C31 | C32 | C33 | 0.6° | 0.2° |
| C30 | C31 | C32 | H13 | 180.0° | 180.0° |
| C30 | C31 | C32 | C34 | 179.2° | 180.0° |
| C31 | C30 | C29 | H11 | 179.7° | 179.9° |
| C33 | C32 | C31 | C34 | 178.6° | 179.9° |
| C33 | C32 | C34 | O36 | 7.6° | 0.1° |
| C33 | C32 | C34 | O35 | 171.3° | 179.8° |
| C33 | C32 | C31 | H13 | 179.5° | 179.8° |
| C31 | C32 | C34 | O36 | 173.8° | 180.0° |
| C31 | C32 | C34 | O35 | 7.4° | 0.1° |
| C32 | C31 | C30 | H12 | 179.8° | 180.0° |
| C31 | C32 | C33 | H14 | 179.5° | 179.8° |
| C32 | C34 | O36 | O35 | 178.8° | 179.9° |
| C34 | C32 | C31 | H13 | 0.8° | 0.1° |
| C34 | C32 | C33 | H14 | 0.8° | 0.1° |
| C32 | C34 | O35 | H15 | 178.8° | 180.0° |
| O36 | C34 | O35 | H15 | 0.0° | 0.0° |
| H2 | C6 | C7 | H3 | 0.7° | 0.2° |
| H6 | C18 | C19 | H7 | 1.0° | 0.0° |
| H8 | C24 | C25 | H9 | 0.7° | 0.1° |
| H9 | C25 | C26 | H10 | 0.6° | 0.1° |
| H11 | C29 | C30 | H12 | 0.3° | 0.0° |
| H12 | C30 | C31 | H13 | 0.2° | 0.0° |
