769
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F17 | C2 | sing | 1.35Å | 1.37Å | |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C7 | sing | 1.48Å | 1.47Å | |
| C7 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.49Å | |
| C20 | C19 | sing | 1.53Å | 1.55Å | |
| C8 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | doub | 1.31Å | 1.36Å | |
| O12 | C11 | doub | 1.22Å | 1.26Å | |
| C9 | C11 | sing | 1.48Å | 1.48Å | |
| C9 | C13 | doub | 1.40Å | 1.41Å | Aromatic |
| C11 | N18 | sing | 1.35Å | 1.35Å | |
| C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | O15 | sing | 1.36Å | 1.37Å | |
| C13 | O16 | sing | 1.36Å | 1.36Å | |
| N18 | C19 | sing | 1.47Å | 1.45Å | |
| C22 | C23 | sing | 1.51Å | 1.50Å | |
| C23 | N24 | sing | 1.47Å | 1.46Å | |
| C25 | N24 | sing | 1.37Å | 1.41Å | Aromatic |
| C25 | C26 | doub | 1.34Å | 1.40Å | Aromatic |
| N24 | C27 | sing | 1.37Å | 1.37Å | Aromatic |
| C26 | C28 | sing | 1.46Å | 1.44Å | Aromatic |
| C27 | C28 | sing | 1.41Å | 1.44Å | Aromatic |
| C27 | C32 | doub | 1.39Å | 1.38Å | Aromatic |
| C28 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | N30 | sing | 1.32Å | 1.33Å | Aromatic |
| C31 | N30 | doub | 1.32Å | 1.34Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.08Å | 1.08Å | |
| C26 | H9 | sing | 1.08Å | 1.08Å | |
| C1 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| O15 | H12 | sing | 0.97Å | 0.95Å | |
| O16 | H13 | sing | 0.97Å | 0.95Å | |
| N18 | H14 | sing | 0.97Å | 1.00Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å | |
| C31 | H21 | sing | 1.08Å | 1.08Å | |
| C32 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F17 | C2 | C1 | 118.4° | 120.0° |
| F17 | C2 | C3 | 118.9° | 119.9° |
| C2 | C1 | C6 | 118.5° | 120.2° |
| C1 | C2 | C3 | 122.7° | 120.1° |
| C2 | C1 | H10 | 120.8° | 119.9° |
| C1 | C6 | C5 | 120.2° | 119.9° |
| C1 | C6 | H2 | 119.9° | 120.1° |
| C6 | C1 | H10 | 120.7° | 119.9° |
| C2 | C3 | C4 | 117.6° | 120.1° |
| C2 | C3 | H11 | 121.2° | 119.9° |
| C6 | C5 | C4 | 118.4° | 119.8° |
| C6 | C5 | C7 | 121.6° | 120.1° |
| C5 | C6 | H2 | 119.9° | 120.0° |
| C3 | C4 | C5 | 122.6° | 119.9° |
| C3 | C4 | H1 | 118.7° | 120.0° |
| C4 | C3 | H11 | 121.2° | 120.0° |
| C4 | C5 | C7 | 119.9° | 120.1° |
| C5 | C4 | H1 | 118.7° | 120.1° |
| C5 | C7 | C10 | 121.2° | 120.0° |
| C5 | C7 | C8 | 120.3° | 119.9° |
| C10 | C7 | C8 | 118.5° | 120.1° |
| C7 | C10 | C9 | 122.0° | 119.9° |
| C7 | C10 | H4 | 119.0° | 120.1° |
| C7 | C8 | C14 | 120.4° | 120.2° |
| C7 | C8 | H3 | 119.8° | 119.9° |
| C10 | C9 | C11 | 118.3° | 120.1° |
| C10 | C9 | C13 | 119.6° | 119.8° |
| C9 | C10 | H4 | 119.0° | 120.0° |
| C21 | C20 | C19 | 113.1° | 109.5° |
| C20 | C21 | C22 | 128.0° | 120.0° |
| C21 | C20 | H5 | 108.5° | 109.5° |
| C21 | C20 | H6 | 108.5° | 109.5° |
| C20 | C21 | H7 | 116.0° | 120.0° |
| C20 | C19 | N18 | 112.1° | 109.5° |
| C19 | C20 | H5 | 108.5° | 109.4° |
| C19 | C20 | H6 | 108.6° | 109.5° |
| C20 | C19 | H15 | 108.8° | 109.5° |
| C20 | C19 | H16 | 108.8° | 109.5° |
| C8 | C14 | C13 | 120.4° | 120.1° |
| C8 | C14 | O15 | 120.9° | 120.0° |
| C14 | C8 | H3 | 119.8° | 119.9° |
| C21 | C22 | C23 | 123.1° | 120.0° |
| C22 | C21 | H7 | 116.0° | 120.0° |
| C21 | C22 | H8 | 118.4° | 120.0° |
| O12 | C11 | C9 | 119.2° | 120.0° |
| O12 | C11 | N18 | 120.0° | 120.0° |
| C11 | C9 | C13 | 122.1° | 120.1° |
| C9 | C11 | N18 | 120.8° | 120.0° |
| C9 | C13 | C14 | 119.1° | 119.9° |
| C9 | C13 | O16 | 123.9° | 120.0° |
| C11 | N18 | C19 | 123.3° | 120.0° |
| C11 | N18 | H14 | 118.4° | 120.1° |
| C13 | C14 | O15 | 118.7° | 119.9° |
| C14 | C13 | O16 | 117.0° | 120.1° |
| C14 | O15 | H12 | 109.5° | 114.0° |
| C13 | O16 | H13 | 109.5° | 114.0° |
| C19 | N18 | H14 | 118.3° | 120.0° |
| N18 | C19 | H15 | 108.8° | 109.5° |
| N18 | C19 | H16 | 108.8° | 109.5° |
| C22 | C23 | N24 | 110.5° | 109.4° |
| C23 | C22 | H8 | 118.4° | 120.0° |
| C22 | C23 | H17 | 109.2° | 109.5° |
| C22 | C23 | H18 | 109.2° | 109.4° |
| C23 | N24 | C25 | 125.0° | 125.0° |
| C23 | N24 | C27 | 125.6° | 125.1° |
| N24 | C23 | H17 | 109.2° | 109.5° |
| N24 | C23 | H18 | 109.2° | 109.5° |
| N24 | C25 | C26 | 109.0° | 109.9° |
| C25 | N24 | C27 | 109.2° | 109.9° |
| N24 | C25 | H19 | 125.5° | 125.0° |
| C25 | C26 | C28 | 106.8° | 107.0° |
| C25 | C26 | H9 | 126.6° | 126.6° |
| C26 | C25 | H19 | 125.5° | 125.1° |
| N24 | C27 | C28 | 108.2° | 107.2° |
| N24 | C27 | C32 | 130.8° | 134.6° |
| C26 | C28 | C27 | 106.7° | 105.9° |
| C26 | C28 | C29 | 135.9° | 135.0° |
| C28 | C26 | H9 | 126.6° | 126.5° |
| C28 | C27 | C32 | 121.0° | 118.2° |
| C27 | C28 | C29 | 117.4° | 119.1° |
| C27 | C32 | C31 | 115.6° | 118.8° |
| C27 | C32 | H22 | 122.2° | 120.6° |
| C28 | C29 | N30 | 121.7° | 120.1° |
| C28 | C29 | H20 | 119.2° | 119.9° |
| C32 | C31 | N30 | 124.9° | 121.5° |
| C32 | C31 | H21 | 117.6° | 119.2° |
| C31 | C32 | H22 | 122.2° | 120.6° |
| C29 | N30 | C31 | 119.5° | 122.2° |
| N30 | C29 | H20 | 119.2° | 120.0° |
| N30 | C31 | H21 | 117.6° | 119.2° |
| H5 | C20 | H6 | 109.5° | 109.5° |
| H15 | C19 | H16 | 109.5° | 109.4° |
| H17 | C23 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F17 | C2 | C1 | C3 | 178.5° | 179.8° |
| F17 | C2 | C1 | C6 | 179.3° | 180.0° |
| F17 | C2 | C3 | C4 | 179.0° | 179.7° |
| F17 | C2 | C1 | H10 | 0.8° | 0.2° |
| F17 | C2 | C3 | H11 | 1.0° | 0.2° |
| C2 | C1 | C6 | H10 | 180.0° | 179.8° |
| C2 | C1 | C6 | C5 | 0.3° | 0.1° |
| C1 | C2 | C3 | C4 | 0.6° | 0.5° |
| C2 | C1 | C6 | H2 | 179.7° | 180.0° |
| C1 | C2 | C3 | H11 | 179.4° | 180.0° |
| C6 | C1 | C2 | C3 | 0.8° | 0.2° |
| C1 | C6 | C5 | H2 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 1.5° | 0.0° |
| C1 | C6 | C5 | C7 | 178.7° | 179.9° |
| C2 | C3 | C4 | H11 | 180.0° | 179.5° |
| C2 | C3 | C4 | C5 | 0.7° | 0.5° |
| C2 | C3 | C4 | H1 | 179.3° | 179.8° |
| C3 | C2 | C1 | H10 | 179.2° | 179.9° |
| C6 | C5 | C4 | C3 | 1.8° | 0.3° |
| C6 | C5 | C4 | C7 | 179.8° | 180.0° |
| C6 | C5 | C7 | C10 | 32.8° | 0.0° |
| C6 | C5 | C7 | C8 | 146.1° | 179.7° |
| C6 | C5 | C4 | H1 | 178.2° | 180.0° |
| C5 | C6 | C1 | H10 | 179.7° | 179.7° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | C7 | 178.4° | 179.8° |
| C4 | C5 | C7 | C10 | 147.0° | 180.0° |
| C4 | C5 | C7 | C8 | 34.1° | 0.3° |
| C4 | C5 | C6 | H2 | 178.5° | 179.9° |
| C5 | C4 | C3 | H11 | 179.2° | 180.0° |
| C5 | C7 | C10 | C8 | 178.9° | 179.7° |
| C5 | C7 | C10 | C9 | 179.9° | 180.0° |
| C5 | C7 | C8 | C14 | 178.0° | 180.0° |
| C7 | C5 | C4 | H1 | 1.6° | 0.0° |
| C7 | C5 | C6 | H2 | 1.3° | 0.0° |
| C5 | C7 | C8 | H3 | 2.0° | 0.0° |
| C5 | C7 | C10 | H4 | 0.1° | 0.0° |
| C7 | C10 | C9 | H4 | 180.0° | 180.0° |
| C10 | C7 | C8 | C14 | 0.9° | 0.4° |
| C7 | C10 | C9 | C11 | 178.2° | 180.0° |
| C7 | C10 | C9 | C13 | 0.9° | 0.0° |
| C10 | C7 | C8 | H3 | 179.1° | 179.7° |
| C8 | C7 | C10 | C9 | 1.1° | 0.3° |
| C7 | C8 | C14 | H3 | 180.0° | 179.9° |
| C7 | C8 | C14 | C13 | 2.9° | 0.1° |
| C7 | C8 | C14 | O15 | 178.7° | 180.0° |
| C8 | C7 | C10 | H4 | 178.9° | 179.7° |
| C10 | C9 | C11 | O12 | 11.0° | 180.0° |
| C10 | C9 | C11 | C13 | 177.2° | 180.0° |
| C10 | C9 | C11 | N18 | 171.0° | 0.0° |
| C10 | C9 | C13 | C14 | 1.1° | 0.3° |
| C10 | C9 | C13 | O16 | 178.3° | 180.0° |
| C21 | C20 | C19 | H5 | 120.5° | 120.0° |
| C21 | C20 | C19 | H6 | 120.5° | 120.0° |
| C20 | C21 | C22 | H7 | 180.0° | 180.0° |
| C21 | C20 | C19 | N18 | 176.6° | 180.0° |
| C20 | C21 | C22 | C23 | 179.5° | 180.0° |
| C21 | C20 | H5 | H6 | 118.3° | 120.0° |
| C20 | C21 | C22 | H8 | 0.5° | 0.0° |
| C21 | C20 | C19 | H15 | 63.0° | 60.0° |
| C21 | C20 | C19 | H16 | 56.2° | 60.0° |
| C19 | C20 | C21 | C22 | 0.6° | 125.0° |
| C20 | C19 | N18 | C11 | 79.2° | 180.0° |
| C20 | C19 | N18 | H15 | 120.4° | 120.0° |
| C20 | C19 | N18 | H16 | 120.4° | 120.0° |
| C19 | C20 | H5 | H6 | 118.4° | 120.0° |
| C19 | C20 | C21 | H7 | 179.5° | 55.0° |
| C20 | C19 | N18 | H14 | 100.8° | 0.0° |
| C20 | C19 | H15 | H16 | 118.8° | 120.0° |
| C8 | C14 | C13 | C9 | 3.0° | 0.2° |
| C8 | C14 | C13 | O15 | 178.4° | 179.9° |
| C8 | C14 | C13 | O16 | 176.4° | 179.9° |
| C8 | C14 | O15 | H12 | 180.0° | 90.0° |
| C21 | C22 | C23 | H8 | 180.0° | 180.0° |
| C21 | C22 | C23 | N24 | 117.6° | 125.0° |
| C22 | C21 | C20 | H5 | 119.9° | 115.0° |
| C22 | C21 | C20 | H6 | 121.1° | 5.0° |
| C21 | C22 | C23 | H17 | 122.2° | 115.0° |
| C21 | C22 | C23 | H18 | 2.5° | 5.0° |
| O12 | C11 | C9 | N18 | 177.9° | 180.0° |
| O12 | C11 | C9 | C13 | 171.8° | 0.0° |
| O12 | C11 | N18 | C19 | 3.2° | 0.0° |
| O12 | C11 | N18 | H14 | 176.8° | 180.0° |
| C11 | C9 | C13 | C14 | 176.0° | 179.7° |
| C11 | C9 | C13 | O16 | 4.6° | 0.0° |
| C9 | C11 | N18 | C19 | 178.8° | 180.0° |
| C11 | C9 | C10 | H4 | 1.8° | 0.0° |
| C9 | C11 | N18 | H14 | 1.2° | 0.0° |
| C13 | C9 | C11 | N18 | 6.1° | 180.0° |
| C9 | C13 | C14 | O16 | 179.4° | 179.7° |
| C9 | C13 | C14 | O15 | 178.6° | 179.7° |
| C13 | C9 | C10 | H4 | 179.0° | 180.0° |
| C9 | C13 | O16 | H13 | 180.0° | 90.1° |
| C11 | N18 | C19 | H14 | 180.0° | 180.0° |
| C11 | N18 | C19 | H15 | 41.2° | 60.0° |
| C11 | N18 | C19 | H16 | 160.4° | 60.0° |
| C13 | C14 | C8 | H3 | 177.1° | 180.0° |
| C13 | C14 | O15 | H12 | 1.6° | 90.0° |
| C14 | C13 | O16 | H13 | 0.6° | 90.2° |
| O15 | C14 | C13 | O16 | 2.0° | 0.0° |
| O15 | C14 | C8 | H3 | 1.3° | 0.1° |
| N18 | C19 | C20 | H5 | 56.1° | 60.0° |
| N18 | C19 | C20 | H6 | 62.9° | 60.0° |
| N18 | C19 | H15 | H16 | 118.8° | 120.0° |
| C22 | C23 | N24 | H17 | 120.2° | 120.0° |
| C22 | C23 | N24 | H18 | 120.2° | 119.9° |
| C22 | C23 | N24 | C25 | 55.0° | 95.5° |
| C22 | C23 | N24 | C27 | 129.5° | 85.0° |
| C23 | C22 | C21 | H7 | 0.5° | 0.0° |
| C22 | C23 | H17 | H18 | 119.5° | 120.0° |
| C23 | N24 | C25 | C27 | 176.2° | 179.6° |
| C23 | N24 | C25 | C26 | 175.1° | 179.8° |
| C23 | N24 | C27 | C28 | 174.5° | 180.0° |
| C23 | N24 | C27 | C32 | 2.9° | 0.4° |
| N24 | C23 | C22 | H8 | 62.3° | 55.0° |
| N24 | C23 | H17 | H18 | 119.5° | 120.1° |
| C23 | N24 | C25 | H19 | 4.9° | 0.4° |
| N24 | C25 | C26 | H19 | 180.0° | 179.8° |
| N24 | C25 | C26 | C28 | 0.1° | 0.0° |
| C25 | N24 | C27 | C28 | 1.6° | 0.4° |
| C25 | N24 | C27 | C32 | 179.0° | 179.9° |
| N24 | C25 | C26 | H9 | 179.9° | 179.7° |
| C25 | N24 | C23 | H17 | 175.2° | 144.6° |
| C25 | N24 | C23 | H18 | 65.2° | 24.5° |
| C26 | C25 | N24 | C27 | 1.1° | 0.2° |
| C25 | C26 | C28 | H9 | 180.0° | 179.7° |
| C25 | C26 | C28 | C27 | 0.8° | 0.2° |
| C25 | C26 | C28 | C29 | 178.9° | 179.8° |
| N24 | C27 | C28 | C26 | 1.5° | 0.4° |
| N24 | C27 | C28 | C32 | 177.7° | 179.7° |
| N24 | C27 | C28 | C29 | 178.3° | 179.7° |
| N24 | C27 | C32 | C31 | 179.4° | 179.5° |
| C27 | N24 | C23 | H17 | 9.3° | 34.9° |
| C27 | N24 | C23 | H18 | 110.4° | 155.0° |
| C27 | N24 | C25 | H19 | 178.9° | 180.0° |
| N24 | C27 | C32 | H22 | 0.7° | 0.1° |
| C26 | C28 | C27 | C29 | 179.8° | 180.0° |
| C26 | C28 | C27 | C32 | 179.2° | 179.9° |
| C26 | C28 | C29 | N30 | 179.7° | 180.0° |
| C28 | C26 | C25 | H19 | 179.9° | 179.8° |
| C26 | C28 | C29 | H20 | 0.3° | 0.1° |
| C28 | C27 | C32 | C31 | 2.2° | 0.2° |
| C27 | C28 | C29 | N30 | 0.0° | 0.1° |
| C27 | C28 | C26 | H9 | 179.2° | 179.9° |
| C27 | C28 | C29 | H20 | 180.0° | 180.0° |
| C28 | C27 | C32 | H22 | 177.8° | 179.6° |
| C32 | C27 | C28 | C29 | 0.6° | 0.1° |
| C27 | C32 | C31 | H22 | 180.0° | 179.4° |
| C27 | C32 | C31 | N30 | 3.6° | 0.1° |
| C27 | C32 | C31 | H21 | 176.4° | 179.9° |
| C28 | C29 | N30 | H20 | 180.0° | 179.9° |
| C28 | C29 | N30 | C31 | 1.2° | 0.1° |
| C29 | C28 | C26 | H9 | 1.1° | 0.1° |
| C32 | C31 | N30 | C29 | 3.2° | 0.0° |
| C32 | C31 | N30 | H21 | 180.0° | 180.0° |
| C29 | N30 | C31 | H21 | 176.8° | 180.0° |
| C31 | N30 | C29 | H20 | 178.8° | 180.0° |
| N30 | C31 | C32 | H22 | 176.4° | 179.6° |
| H1 | C4 | C3 | H11 | 0.7° | 0.2° |
| H2 | C6 | C1 | H10 | 0.3° | 0.2° |
| H5 | C20 | C21 | H7 | 60.0° | 65.0° |
| H5 | C20 | C19 | H15 | 176.5° | 179.9° |
| H5 | C20 | C19 | H16 | 64.3° | 60.0° |
| H6 | C20 | C21 | H7 | 58.9° | 175.0° |
| H6 | C20 | C19 | H15 | 57.5° | 60.0° |
| H6 | C20 | C19 | H16 | 176.7° | 180.0° |
| H7 | C21 | C22 | H8 | 179.5° | 180.0° |
| H8 | C22 | C23 | H17 | 57.8° | 65.0° |
| H8 | C22 | C23 | H18 | 177.5° | 175.0° |
| H9 | C26 | C25 | H19 | 0.1° | 0.0° |
| H14 | N18 | C19 | H15 | 138.8° | 120.0° |
| H14 | N18 | C19 | H16 | 19.6° | 120.0° |
| H21 | C31 | C32 | H22 | 3.6° | 0.5° |
