VML
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F24 | C22 | sing | 1.40Å | 1.35Å | |
| F25 | C22 | sing | 1.40Å | 1.34Å | |
| C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| F33 | C32 | sing | 1.40Å | 1.35Å | |
| C22 | C19 | sing | 1.51Å | 1.48Å | |
| C22 | F23 | sing | 1.40Å | 1.33Å | |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C16 | doub | 1.39Å | 1.41Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C32 | sing | 1.51Å | 1.49Å | |
| C30 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | F34 | sing | 1.40Å | 1.35Å | |
| C32 | F35 | sing | 1.40Å | 1.35Å | |
| C18 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.48Å | 1.46Å | |
| C14 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C6 | sing | 1.51Å | 1.51Å | |
| C15 | C10 | sing | 1.41Å | 1.39Å | Aromatic |
| C13 | N12 | doub | 1.32Å | 1.36Å | Aromatic |
| C10 | C8 | sing | 1.48Å | 1.47Å | |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| N7 | C8 | sing | 1.35Å | 1.36Å | |
| N7 | C6 | sing | 1.46Å | 1.46Å | |
| N12 | C11 | sing | 1.32Å | 1.36Å | Aromatic |
| C8 | O9 | doub | 1.22Å | 1.22Å | |
| C6 | C4 | sing | 1.51Å | 1.51Å | |
| O5 | C4 | doub | 1.21Å | 1.22Å | |
| C4 | N2 | sing | 1.35Å | 1.38Å | |
| N2 | C1 | sing | 1.47Å | 1.46Å | |
| N2 | C3 | sing | 1.46Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C27 | H11 | sing | 1.08Å | 1.08Å | |
| C28 | H12 | sing | 1.08Å | 1.08Å | |
| C29 | H13 | sing | 1.08Å | 1.08Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.08Å | 1.08Å | |
| C6 | H18 | sing | 1.09Å | 1.10Å | |
| N7 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F24 | C22 | F25 | 107.1° | 109.5° |
| F24 | C22 | C19 | 112.0° | 109.5° |
| F24 | C22 | F23 | 102.8° | 109.4° |
| F25 | C22 | C19 | 113.0° | 109.5° |
| F25 | C22 | F23 | 106.2° | 109.5° |
| C29 | C28 | C27 | 117.7° | 120.0° |
| C28 | C29 | C30 | 119.6° | 120.0° |
| C29 | C28 | H12 | 121.1° | 120.0° |
| C28 | C29 | H13 | 120.2° | 120.0° |
| C28 | C27 | C26 | 122.8° | 120.0° |
| C28 | C27 | H11 | 118.6° | 120.0° |
| C27 | C28 | H12 | 121.1° | 120.0° |
| C29 | C30 | C32 | 119.7° | 119.9° |
| C29 | C30 | C31 | 122.2° | 120.0° |
| C30 | C29 | H13 | 120.2° | 120.1° |
| F33 | C32 | C30 | 114.4° | 109.5° |
| F33 | C32 | F34 | 103.6° | 109.5° |
| F33 | C32 | F35 | 106.3° | 109.5° |
| C19 | C22 | F23 | 115.0° | 109.5° |
| C22 | C19 | C20 | 120.2° | 119.9° |
| C22 | C19 | C18 | 117.6° | 119.9° |
| C19 | C20 | C21 | 119.0° | 120.2° |
| C20 | C19 | C18 | 122.1° | 120.3° |
| C19 | C20 | H9 | 120.5° | 119.9° |
| C20 | C21 | C16 | 119.4° | 119.8° |
| C21 | C20 | H9 | 120.5° | 119.9° |
| C20 | C21 | H10 | 120.3° | 120.1° |
| C19 | C18 | C17 | 119.0° | 120.1° |
| C19 | C18 | H8 | 120.5° | 119.9° |
| C21 | C16 | C17 | 121.0° | 119.8° |
| C21 | C16 | C15 | 118.7° | 120.1° |
| C16 | C21 | H10 | 120.3° | 120.1° |
| C27 | C26 | C31 | 119.6° | 120.0° |
| C27 | C26 | C6 | 121.1° | 120.0° |
| C26 | C27 | H11 | 118.6° | 120.0° |
| C32 | C30 | C31 | 118.1° | 120.0° |
| C30 | C32 | F34 | 111.8° | 109.5° |
| C30 | C32 | F35 | 111.9° | 109.4° |
| C30 | C31 | C26 | 118.1° | 120.0° |
| C30 | C31 | H17 | 120.9° | 120.0° |
| F34 | C32 | F35 | 108.3° | 109.5° |
| C18 | C17 | C16 | 119.5° | 119.9° |
| C18 | C17 | H7 | 120.2° | 120.1° |
| C17 | C18 | H8 | 120.5° | 119.9° |
| C17 | C16 | C15 | 120.3° | 120.1° |
| C16 | C17 | H7 | 120.3° | 120.1° |
| C16 | C15 | C14 | 117.7° | 121.0° |
| C16 | C15 | C10 | 124.8° | 121.0° |
| C15 | C14 | C13 | 118.4° | 119.1° |
| C14 | C15 | C10 | 117.4° | 118.0° |
| C15 | C14 | H6 | 120.8° | 120.4° |
| C14 | C13 | N12 | 124.9° | 121.2° |
| C14 | C13 | H5 | 117.6° | 119.4° |
| C13 | C14 | H6 | 120.8° | 120.4° |
| C31 | C26 | C6 | 119.2° | 120.0° |
| C26 | C31 | H17 | 121.0° | 120.0° |
| C26 | C6 | N7 | 101.6° | 109.5° |
| C26 | C6 | C4 | 112.5° | 109.5° |
| C26 | C6 | H18 | 112.4° | 109.4° |
| C15 | C10 | C8 | 119.3° | 120.7° |
| C15 | C10 | C11 | 121.2° | 118.7° |
| C13 | N12 | C11 | 115.8° | 122.1° |
| N12 | C13 | H5 | 117.5° | 119.4° |
| C8 | C10 | C11 | 119.5° | 120.6° |
| C10 | C8 | N7 | 117.8° | 120.0° |
| C10 | C8 | O9 | 116.1° | 120.0° |
| C10 | C11 | N12 | 122.2° | 120.7° |
| C10 | C11 | H4 | 118.9° | 119.6° |
| C8 | N7 | C6 | 117.4° | 120.0° |
| N7 | C8 | O9 | 126.0° | 120.0° |
| C8 | N7 | H19 | 121.3° | 120.0° |
| N7 | C6 | C4 | 104.1° | 109.5° |
| N7 | C6 | H18 | 113.2° | 109.5° |
| C6 | N7 | H19 | 121.3° | 120.0° |
| N12 | C11 | H4 | 118.9° | 119.6° |
| C6 | C4 | O5 | 121.5° | 120.0° |
| C6 | C4 | N2 | 117.1° | 120.1° |
| C4 | C6 | H18 | 112.3° | 109.4° |
| O5 | C4 | N2 | 121.2° | 120.0° |
| C4 | N2 | C1 | 118.1° | 120.0° |
| C4 | N2 | C3 | 124.4° | 120.0° |
| C1 | N2 | C3 | 117.3° | 120.0° |
| N2 | C1 | H1 | 109.5° | 109.5° |
| N2 | C1 | H2 | 109.5° | 109.5° |
| N2 | C1 | H3 | 109.5° | 109.4° |
| N2 | C3 | H14 | 109.5° | 109.5° |
| N2 | C3 | H15 | 109.4° | 109.5° |
| N2 | C3 | H16 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H14 | C3 | H15 | 109.5° | 109.5° |
| H14 | C3 | H16 | 109.5° | 109.5° |
| H15 | C3 | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F24 | C22 | F25 | C19 | 123.8° | 120.0° |
| F24 | C22 | F25 | F23 | 109.3° | 119.9° |
| F24 | C22 | C19 | F23 | 116.9° | 119.9° |
| F24 | C22 | C19 | C20 | 95.8° | 29.9° |
| F24 | C22 | C19 | C18 | 83.5° | 150.0° |
| F25 | C22 | C19 | F23 | 122.1° | 120.0° |
| F25 | C22 | C19 | C20 | 25.3° | 150.0° |
| F25 | C22 | C19 | C18 | 155.4° | 30.0° |
| C29 | C28 | C27 | H12 | 180.0° | 180.0° |
| C28 | C29 | C30 | H13 | 180.0° | 180.0° |
| C29 | C28 | C27 | C26 | 1.6° | 0.0° |
| C28 | C29 | C30 | C32 | 179.7° | 180.0° |
| C28 | C29 | C30 | C31 | 1.4° | 0.1° |
| C29 | C28 | C27 | H11 | 178.4° | 180.0° |
| C27 | C28 | C29 | C30 | 0.1° | 0.0° |
| C28 | C27 | C26 | H11 | 180.0° | 180.0° |
| C28 | C27 | C26 | C31 | 2.0° | 0.0° |
| C28 | C27 | C26 | C6 | 179.6° | 179.8° |
| C27 | C28 | C29 | H13 | 179.9° | 180.0° |
| C29 | C30 | C32 | F33 | 27.6° | 120.0° |
| C29 | C30 | C32 | C31 | 178.4° | 179.9° |
| C29 | C30 | C32 | F34 | 89.8° | 0.0° |
| C29 | C30 | C32 | F35 | 148.5° | 120.0° |
| C29 | C30 | C31 | C26 | 1.0° | 0.1° |
| C30 | C29 | C28 | H12 | 179.9° | 180.0° |
| C29 | C30 | C31 | H17 | 179.0° | 179.8° |
| F33 | C32 | C30 | F34 | 117.4° | 120.0° |
| F33 | C32 | C30 | F35 | 120.9° | 120.0° |
| F33 | C32 | C30 | C31 | 154.1° | 59.9° |
| F33 | C32 | F34 | F35 | 112.6° | 120.1° |
| C22 | C19 | C20 | C18 | 179.2° | 180.0° |
| C22 | C19 | C20 | C21 | 179.3° | 179.7° |
| C22 | C19 | C18 | C17 | 178.7° | 180.0° |
| C22 | C19 | C18 | H8 | 1.3° | 0.1° |
| C22 | C19 | C20 | H9 | 0.7° | 0.0° |
| F23 | C22 | C19 | C20 | 147.4° | 90.0° |
| F23 | C22 | C19 | C18 | 33.4° | 90.1° |
| C19 | C20 | C21 | H9 | 180.0° | 179.8° |
| C19 | C20 | C21 | C16 | 0.7° | 0.6° |
| C20 | C19 | C18 | C17 | 0.5° | 0.0° |
| C20 | C19 | C18 | H8 | 179.5° | 180.0° |
| C19 | C20 | C21 | H10 | 179.3° | 180.0° |
| C21 | C20 | C19 | C18 | 0.0° | 0.3° |
| C20 | C21 | C16 | H10 | 180.0° | 179.5° |
| C20 | C21 | C16 | C17 | 0.7° | 0.5° |
| C20 | C21 | C16 | C15 | 176.5° | 179.7° |
| C19 | C18 | C17 | H8 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.5° | 0.0° |
| C19 | C18 | C17 | H7 | 179.5° | 180.0° |
| C18 | C19 | C20 | H9 | 180.0° | 179.9° |
| C21 | C16 | C17 | C18 | 0.2° | 0.2° |
| C21 | C16 | C17 | C15 | 177.2° | 179.7° |
| C21 | C16 | C15 | C14 | 124.4° | 57.6° |
| C21 | C16 | C15 | C10 | 52.1° | 122.3° |
| C21 | C16 | C17 | H7 | 179.8° | 179.7° |
| C16 | C21 | C20 | H9 | 179.3° | 179.6° |
| C27 | C26 | C31 | C30 | 0.7° | 0.0° |
| C27 | C26 | C31 | C6 | 177.7° | 179.8° |
| C27 | C26 | C6 | N7 | 59.8° | 52.4° |
| C27 | C26 | C6 | C4 | 50.9° | 67.7° |
| C26 | C27 | C28 | H12 | 178.4° | 180.0° |
| C27 | C26 | C31 | H17 | 179.3° | 179.8° |
| C27 | C26 | C6 | H18 | 178.9° | 172.4° |
| C30 | C32 | F34 | F35 | 123.7° | 119.9° |
| C32 | C30 | C31 | C26 | 179.3° | 180.0° |
| C32 | C30 | C29 | H13 | 0.4° | 0.0° |
| C32 | C30 | C31 | H17 | 0.7° | 0.3° |
| C31 | C30 | C32 | F34 | 88.5° | 179.9° |
| C31 | C30 | C32 | F35 | 33.2° | 60.1° |
| C30 | C31 | C26 | H17 | 180.0° | 179.7° |
| C30 | C31 | C26 | C6 | 178.4° | 179.7° |
| C31 | C30 | C29 | H13 | 178.6° | 179.9° |
| C18 | C17 | C16 | H7 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 177.0° | 180.0° |
| C17 | C16 | C15 | C14 | 52.8° | 122.1° |
| C17 | C16 | C15 | C10 | 130.7° | 58.0° |
| C16 | C17 | C18 | H8 | 179.5° | 180.0° |
| C17 | C16 | C21 | H10 | 179.3° | 180.0° |
| C16 | C15 | C14 | C10 | 176.8° | 179.9° |
| C16 | C15 | C14 | C13 | 176.9° | 179.9° |
| C16 | C15 | C10 | C8 | 5.6° | 0.0° |
| C16 | C15 | C10 | C11 | 176.6° | 179.7° |
| C16 | C15 | C14 | H6 | 3.1° | 0.1° |
| C15 | C16 | C17 | H7 | 3.0° | 0.0° |
| C15 | C16 | C21 | H10 | 3.5° | 0.3° |
| C15 | C14 | C13 | H6 | 180.0° | 180.0° |
| C15 | C14 | C13 | N12 | 0.9° | 0.3° |
| C14 | C15 | C10 | C8 | 177.9° | 179.9° |
| C14 | C15 | C10 | C11 | 0.1° | 0.2° |
| C15 | C14 | C13 | H5 | 179.1° | 180.0° |
| C13 | C14 | C15 | C10 | 0.1° | 0.0° |
| C14 | C13 | N12 | H5 | 180.0° | 179.7° |
| C14 | C13 | N12 | C11 | 1.5° | 0.3° |
| C31 | C26 | C6 | N7 | 117.8° | 127.9° |
| C31 | C26 | C6 | C4 | 131.4° | 112.1° |
| C31 | C26 | C27 | H11 | 178.0° | 180.0° |
| C31 | C26 | C6 | H18 | 3.5° | 7.8° |
| C26 | C6 | N7 | C8 | 85.5° | 154.9° |
| C26 | C6 | N7 | C4 | 117.1° | 120.0° |
| C26 | C6 | N7 | H18 | 120.7° | 120.0° |
| C26 | C6 | C4 | H18 | 128.0° | 119.9° |
| C26 | C6 | C4 | O5 | 113.4° | 94.1° |
| C26 | C6 | C4 | N2 | 72.2° | 85.9° |
| C6 | C26 | C27 | H11 | 0.4° | 0.2° |
| C6 | C26 | C31 | H17 | 1.6° | 0.0° |
| C26 | C6 | N7 | H19 | 94.5° | 25.0° |
| C15 | C10 | C8 | C11 | 177.8° | 179.7° |
| C15 | C10 | C8 | N7 | 136.0° | 173.8° |
| C15 | C10 | C11 | N12 | 0.9° | 0.2° |
| C15 | C10 | C8 | O9 | 47.3° | 6.1° |
| C15 | C10 | C11 | H4 | 179.1° | 179.7° |
| C10 | C15 | C14 | H6 | 179.9° | 180.0° |
| C13 | N12 | C11 | C10 | 1.5° | 0.0° |
| C13 | N12 | C11 | H4 | 178.5° | 180.0° |
| N12 | C13 | C14 | H6 | 179.1° | 179.7° |
| C10 | C8 | N7 | O9 | 176.3° | 179.9° |
| C10 | C8 | N7 | C6 | 179.8° | 180.0° |
| C8 | C10 | C11 | N12 | 178.6° | 180.0° |
| C8 | C10 | C11 | H4 | 1.3° | 0.0° |
| C10 | C8 | N7 | H19 | 0.2° | 0.0° |
| C11 | C10 | C8 | N7 | 46.2° | 6.5° |
| C10 | C11 | N12 | H4 | 180.0° | 180.0° |
| C11 | C10 | C8 | O9 | 130.5° | 173.6° |
| C8 | N7 | C6 | H19 | 180.0° | 180.0° |
| C8 | N7 | C6 | C4 | 157.5° | 85.0° |
| C8 | N7 | C6 | H18 | 35.3° | 35.0° |
| C6 | N7 | C8 | O9 | 3.8° | 0.1° |
| N7 | C6 | C4 | H18 | 122.8° | 120.0° |
| N7 | C6 | C4 | O5 | 4.2° | 26.0° |
| N7 | C6 | C4 | N2 | 178.6° | 154.0° |
| C11 | N12 | C13 | H5 | 178.5° | 180.0° |
| O9 | C8 | N7 | H19 | 176.2° | 180.0° |
| C6 | C4 | O5 | N2 | 174.2° | 180.0° |
| C6 | C4 | N2 | C1 | 179.2° | 174.6° |
| C6 | C4 | N2 | C3 | 5.9° | 5.4° |
| C4 | C6 | N7 | H19 | 22.5° | 95.0° |
| O5 | C4 | N2 | C1 | 6.4° | 5.4° |
| O5 | C4 | N2 | C3 | 168.5° | 174.7° |
| O5 | C4 | C6 | H18 | 118.6° | 146.0° |
| C4 | N2 | C1 | C3 | 175.2° | 179.9° |
| C4 | N2 | C1 | H1 | 180.0° | 0.1° |
| C4 | N2 | C1 | H2 | 60.0° | 120.0° |
| C4 | N2 | C1 | H3 | 60.0° | 120.0° |
| C4 | N2 | C3 | H14 | 180.0° | 84.3° |
| C4 | N2 | C3 | H15 | 60.0° | 155.7° |
| C4 | N2 | C3 | H16 | 60.0° | 35.7° |
| N2 | C4 | C6 | H18 | 55.8° | 34.0° |
| N2 | C1 | H1 | H2 | 120.0° | 120.1° |
| N2 | C1 | H1 | H3 | 120.0° | 119.9° |
| N2 | C1 | H2 | H3 | 120.0° | 119.9° |
| C1 | N2 | C3 | H14 | 5.1° | 95.7° |
| C1 | N2 | C3 | H15 | 114.9° | 24.3° |
| C1 | N2 | C3 | H16 | 125.1° | 144.2° |
| C3 | N2 | C1 | H1 | 4.8° | 180.0° |
| C3 | N2 | C1 | H2 | 124.8° | 59.9° |
| C3 | N2 | C1 | H3 | 115.2° | 60.0° |
| N2 | C3 | H14 | H15 | 120.0° | 120.0° |
| N2 | C3 | H14 | H16 | 120.0° | 120.0° |
| N2 | C3 | H15 | H16 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H5 | C13 | C14 | H6 | 0.9° | 0.0° |
| H7 | C17 | C18 | H8 | 0.5° | 0.0° |
| H9 | C20 | C21 | H10 | 0.7° | 0.2° |
| H11 | C27 | C28 | H12 | 1.6° | 0.0° |
| H12 | C28 | C29 | H13 | 0.1° | 0.1° |
| H14 | C3 | H15 | H16 | 120.0° | 120.0° |
| H18 | C6 | N7 | H19 | 144.7° | 145.0° |
