R8C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| N29 | C2 | sing | 1.47Å | 1.46Å | |
| C2 | C4 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | C4 | sing | 1.51Å | 1.51Å | |
| C4 | O12 | sing | 1.43Å | 1.43Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| O12 | C13 | sing | 1.36Å | 1.36Å | |
| C13 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| C14 | C15 | doub | 1.37Å | 1.36Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | C16 | doub | 1.41Å | 1.42Å | Aromatic |
| C16 | N21 | sing | 1.37Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C19 | sing | 1.46Å | 1.45Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | N20 | doub | 1.30Å | 1.30Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| N20 | N21 | sing | 1.40Å | 1.39Å | Aromatic |
| N21 | C22 | sing | 1.40Å | 1.40Å | |
| C22 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C27 | sing | 1.39Å | 1.41Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | F28 | sing | 1.35Å | 1.34Å | |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | N29 | sing | 1.35Å | 1.35Å | |
| N29 | HN29 | sing | 0.97Å | 1.00Å | |
| C32 | C30 | sing | 1.51Å | 1.52Å | |
| O31 | C30 | doub | 1.21Å | 1.23Å | |
| F33 | C32 | sing | 1.40Å | 1.38Å | |
| F34 | C32 | sing | 1.40Å | 1.39Å | |
| C32 | F35 | sing | 1.40Å | 1.39Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.4° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C1 | C2 | N29 | 109.6° | 109.5° |
| C1 | C2 | C4 | 112.1° | 109.5° |
| C1 | C2 | H2 | 108.3° | 109.5° |
| H1 | C1 | H1A | 109.5° | 109.4° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| N29 | C2 | C4 | 109.4° | 109.4° |
| N29 | C2 | H2 | 109.1° | 109.5° |
| C2 | N29 | C30 | 122.0° | 119.9° |
| C2 | N29 | HN29 | 119.0° | 120.0° |
| C4 | C2 | H2 | 108.2° | 109.5° |
| C2 | C4 | C6 | 113.1° | 109.5° |
| C2 | C4 | O12 | 108.1° | 109.5° |
| C2 | C4 | H4 | 108.6° | 109.5° |
| C6 | C4 | O12 | 108.3° | 109.5° |
| C6 | C4 | H4 | 108.8° | 109.4° |
| C4 | C6 | C11 | 119.3° | 120.0° |
| C4 | C6 | C7 | 120.9° | 120.0° |
| O12 | C4 | H4 | 109.9° | 109.5° |
| C4 | O12 | C13 | 121.7° | 117.0° |
| C11 | C6 | C7 | 119.8° | 120.0° |
| C6 | C11 | C10 | 119.3° | 120.0° |
| C6 | C11 | H11 | 120.3° | 120.0° |
| C6 | C7 | C8 | 120.8° | 120.0° |
| C6 | C7 | H7 | 119.6° | 120.0° |
| C8 | C7 | H7 | 119.6° | 120.0° |
| C7 | C8 | C9 | 119.3° | 120.0° |
| C7 | C8 | H8 | 120.3° | 120.0° |
| C9 | C8 | H8 | 120.3° | 120.0° |
| C8 | C9 | C10 | 120.2° | 120.0° |
| C8 | C9 | H9 | 119.9° | 120.0° |
| C10 | C9 | H9 | 119.9° | 120.1° |
| C9 | C10 | C11 | 120.5° | 120.0° |
| C9 | C10 | H10 | 119.7° | 120.0° |
| C11 | C10 | H10 | 119.8° | 120.0° |
| C10 | C11 | H11 | 120.4° | 120.0° |
| O12 | C13 | C18 | 121.0° | 119.9° |
| O12 | C13 | C14 | 117.3° | 119.8° |
| C18 | C13 | C14 | 121.4° | 120.3° |
| C13 | C18 | C17 | 118.6° | 119.5° |
| C13 | C18 | H18 | 120.7° | 120.2° |
| C13 | C14 | C15 | 120.4° | 120.8° |
| C13 | C14 | H14 | 119.8° | 119.6° |
| C15 | C14 | H14 | 119.8° | 119.6° |
| C14 | C15 | C16 | 119.8° | 120.1° |
| C14 | C15 | H15 | 120.1° | 120.0° |
| C16 | C15 | H15 | 120.1° | 119.9° |
| C15 | C16 | C17 | 120.0° | 119.6° |
| C15 | C16 | N21 | 134.0° | 133.8° |
| C17 | C16 | N21 | 105.9° | 106.6° |
| C16 | C17 | C18 | 119.9° | 119.7° |
| C16 | C17 | C19 | 106.6° | 106.4° |
| C16 | N21 | N20 | 109.2° | 109.1° |
| C16 | N21 | C22 | 127.2° | 125.4° |
| C18 | C17 | C19 | 133.5° | 133.9° |
| C17 | C18 | H18 | 120.7° | 120.3° |
| C17 | C19 | N20 | 108.1° | 107.8° |
| C17 | C19 | H19 | 126.0° | 126.0° |
| N20 | C19 | H19 | 125.9° | 126.1° |
| C19 | N20 | N21 | 110.2° | 110.1° |
| N20 | N21 | C22 | 123.5° | 125.5° |
| N21 | C22 | C23 | 119.2° | 120.0° |
| N21 | C22 | C27 | 119.9° | 120.1° |
| C23 | C22 | C27 | 120.7° | 119.9° |
| C22 | C23 | C24 | 120.3° | 119.9° |
| C22 | C23 | H23 | 119.8° | 120.1° |
| C22 | C27 | C26 | 118.8° | 120.0° |
| C22 | C27 | H27 | 120.6° | 120.0° |
| C24 | C23 | H23 | 119.9° | 120.0° |
| C23 | C24 | C25 | 118.5° | 120.0° |
| C23 | C24 | H24 | 120.7° | 120.0° |
| C25 | C24 | H24 | 120.7° | 120.0° |
| C24 | C25 | C26 | 121.7° | 120.1° |
| C24 | C25 | F28 | 119.3° | 119.9° |
| C26 | C25 | F28 | 119.0° | 120.0° |
| C25 | C26 | C27 | 119.9° | 120.0° |
| C25 | C26 | H26 | 120.0° | 120.0° |
| C27 | C26 | H26 | 120.0° | 120.0° |
| C26 | C27 | H27 | 120.6° | 120.1° |
| C30 | N29 | HN29 | 119.0° | 120.0° |
| N29 | C30 | C32 | 118.6° | 120.0° |
| N29 | C30 | O31 | 122.3° | 120.0° |
| C32 | C30 | O31 | 119.0° | 120.0° |
| C30 | C32 | F33 | 109.6° | 109.5° |
| C30 | C32 | F34 | 107.8° | 109.5° |
| C30 | C32 | F35 | 114.1° | 109.5° |
| F33 | C32 | F34 | 109.3° | 109.5° |
| F33 | C32 | F35 | 107.8° | 109.5° |
| F34 | C32 | F35 | 108.1° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 120.1° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | N29 | C4 | 123.3° | 120.0° |
| C1 | C2 | N29 | H2 | 118.5° | 120.1° |
| C1 | C2 | C4 | H2 | 119.4° | 120.1° |
| C1 | C2 | C4 | C6 | 177.3° | 179.9° |
| C1 | C2 | C4 | O12 | 62.8° | 60.1° |
| C1 | C2 | C4 | H4 | 56.4° | 60.0° |
| C1 | C2 | N29 | C30 | 126.4° | 85.0° |
| C1 | C2 | N29 | HN29 | 53.6° | 94.9° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | C2 | N29 | 180.0° | 60.0° |
| H1 | C1 | C2 | C4 | 58.3° | 60.0° |
| H1 | C1 | C2 | H2 | 61.0° | 180.0° |
| H1A | C1 | C2 | N29 | 60.0° | 179.9° |
| H1A | C1 | C2 | C4 | 178.3° | 60.0° |
| H1A | C1 | C2 | H2 | 59.0° | 60.0° |
| H1B | C1 | C2 | N29 | 60.0° | 60.1° |
| H1B | C1 | C2 | C4 | 61.7° | 180.0° |
| H1B | C1 | C2 | H2 | 179.0° | 60.0° |
| N29 | C2 | C4 | H2 | 118.8° | 120.0° |
| N29 | C2 | C4 | C6 | 55.4° | 60.0° |
| N29 | C2 | C4 | O12 | 175.3° | 180.0° |
| N29 | C2 | C4 | H4 | 65.5° | 59.9° |
| C2 | N29 | C30 | HN29 | 180.0° | 179.9° |
| C2 | N29 | C30 | C32 | 177.1° | 180.0° |
| C2 | N29 | C30 | O31 | 0.3° | 0.0° |
| C2 | C4 | C6 | O12 | 119.8° | 120.0° |
| C2 | C4 | C6 | H4 | 120.7° | 120.0° |
| C2 | C4 | O12 | H4 | 118.3° | 120.0° |
| C2 | C4 | C6 | C11 | 100.3° | 84.7° |
| C2 | C4 | C6 | C7 | 80.5° | 95.0° |
| C2 | C4 | O12 | C13 | 164.2° | 155.7° |
| C4 | C2 | N29 | C30 | 110.3° | 155.0° |
| C4 | C2 | N29 | HN29 | 69.7° | 25.0° |
| H2 | C2 | C4 | C6 | 63.4° | 60.0° |
| H2 | C2 | C4 | O12 | 56.6° | 60.0° |
| H2 | C2 | C4 | H4 | 175.8° | 179.9° |
| H2 | C2 | N29 | C30 | 7.9° | 35.1° |
| H2 | C2 | N29 | HN29 | 172.1° | 145.0° |
| C6 | C4 | O12 | H4 | 118.8° | 120.0° |
| C4 | C6 | C11 | C7 | 179.2° | 179.7° |
| C4 | C6 | C7 | C8 | 179.2° | 180.0° |
| C4 | C6 | C7 | H7 | 0.8° | 0.0° |
| C4 | C6 | C11 | C10 | 178.7° | 179.7° |
| C4 | C6 | C11 | H11 | 1.3° | 0.2° |
| C6 | C4 | O12 | C13 | 73.0° | 84.3° |
| O12 | C4 | C6 | C11 | 139.9° | 35.3° |
| O12 | C4 | C6 | C7 | 39.2° | 145.0° |
| C4 | O12 | C13 | C18 | 41.0° | 5.4° |
| C4 | O12 | C13 | C14 | 145.4° | 174.3° |
| H4 | C4 | C6 | C11 | 20.4° | 155.3° |
| H4 | C4 | C6 | C7 | 158.7° | 25.0° |
| H4 | C4 | O12 | C13 | 45.8° | 35.6° |
| C11 | C6 | C7 | C8 | 1.7° | 0.3° |
| C11 | C6 | C7 | H7 | 178.3° | 179.7° |
| C6 | C11 | C10 | C9 | 2.6° | 0.6° |
| C6 | C11 | C10 | H11 | 180.0° | 179.5° |
| C6 | C11 | C10 | H10 | 177.4° | 179.7° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 1.7° | 0.0° |
| C6 | C7 | C8 | H8 | 178.2° | 180.0° |
| C7 | C6 | C11 | C10 | 0.5° | 0.6° |
| C7 | C6 | C11 | H11 | 179.5° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.4° | 0.0° |
| C7 | C8 | C9 | H9 | 179.6° | 180.0° |
| H7 | C7 | C8 | C9 | 178.3° | 180.0° |
| H7 | C7 | C8 | H8 | 1.8° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 2.5° | 0.2° |
| C8 | C9 | C10 | H10 | 177.5° | 180.0° |
| H8 | C8 | C9 | C10 | 179.7° | 180.0° |
| H8 | C8 | C9 | H9 | 0.4° | 0.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.8° |
| C9 | C10 | C11 | H11 | 177.4° | 180.0° |
| H9 | C9 | C10 | C11 | 177.4° | 179.7° |
| H9 | C9 | C10 | H10 | 2.5° | 0.1° |
| H10 | C10 | C11 | H11 | 2.5° | 0.2° |
| O12 | C13 | C18 | C14 | 173.3° | 179.7° |
| O12 | C13 | C14 | C15 | 175.3° | 180.0° |
| O12 | C13 | C14 | H14 | 4.7° | 0.0° |
| O12 | C13 | C18 | C17 | 175.2° | 179.7° |
| O12 | C13 | C18 | H18 | 4.8° | 0.0° |
| C18 | C13 | C14 | C15 | 1.8° | 0.3° |
| C18 | C13 | C14 | H14 | 178.3° | 179.8° |
| C13 | C18 | C17 | C16 | 1.7° | 0.5° |
| C13 | C18 | C17 | H18 | 180.0° | 179.7° |
| C13 | C18 | C17 | C19 | 178.3° | 179.8° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 1.4° | 0.0° |
| C13 | C14 | C15 | H15 | 178.6° | 180.0° |
| C14 | C13 | C18 | C17 | 1.9° | 0.5° |
| C14 | C13 | C18 | H18 | 178.1° | 179.8° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 1.3° | 0.0° |
| C14 | C15 | C16 | N21 | 178.5° | 180.0° |
| H14 | C14 | C15 | C16 | 178.6° | 180.0° |
| H14 | C14 | C15 | H15 | 1.4° | 0.1° |
| C15 | C16 | C17 | N21 | 177.9° | 180.0° |
| C15 | C16 | C17 | C18 | 1.5° | 0.3° |
| C15 | C16 | C17 | C19 | 178.6° | 180.0° |
| C15 | C16 | N21 | N20 | 179.0° | 180.0° |
| C15 | C16 | N21 | C22 | 5.2° | 0.0° |
| H15 | C15 | C16 | C17 | 178.7° | 180.0° |
| H15 | C15 | C16 | N21 | 1.5° | 0.0° |
| C16 | C17 | C18 | C19 | 180.0° | 179.7° |
| C16 | C17 | C18 | H18 | 178.2° | 179.8° |
| C16 | C17 | C19 | N20 | 0.5° | 0.0° |
| C16 | C17 | C19 | H19 | 179.5° | 180.0° |
| C17 | C16 | N21 | N20 | 1.5° | 0.0° |
| C17 | C16 | N21 | C22 | 177.3° | 180.0° |
| N21 | C16 | C17 | C18 | 179.4° | 179.7° |
| N21 | C16 | C17 | C19 | 0.6° | 0.0° |
| C16 | N21 | N20 | C19 | 1.9° | 0.1° |
| C16 | N21 | N20 | C22 | 176.0° | 179.9° |
| C16 | N21 | C22 | C23 | 138.0° | 145.0° |
| C16 | N21 | C22 | C27 | 46.9° | 35.3° |
| C18 | C17 | C19 | N20 | 179.5° | 179.7° |
| C18 | C17 | C19 | H19 | 0.5° | 0.3° |
| C19 | C17 | C18 | H18 | 1.7° | 0.1° |
| C17 | C19 | N20 | H19 | 180.0° | 179.9° |
| C17 | C19 | N20 | N21 | 1.5° | 0.0° |
| C19 | N20 | N21 | C22 | 177.9° | 180.0° |
| H19 | C19 | N20 | N21 | 178.5° | 180.0° |
| N20 | N21 | C22 | C23 | 46.7° | 35.0° |
| N20 | N21 | C22 | C27 | 128.3° | 144.7° |
| N21 | C22 | C23 | C27 | 175.0° | 179.7° |
| N21 | C22 | C23 | C24 | 176.9° | 180.0° |
| N21 | C22 | C23 | H23 | 3.1° | 0.0° |
| N21 | C22 | C27 | C26 | 177.2° | 179.7° |
| N21 | C22 | C27 | H27 | 2.8° | 0.0° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.7° | 0.0° |
| C22 | C23 | C24 | H24 | 179.3° | 180.0° |
| C23 | C22 | C27 | C26 | 2.2° | 0.6° |
| C23 | C22 | C27 | H27 | 177.8° | 179.7° |
| C27 | C22 | C23 | C24 | 1.9° | 0.3° |
| C27 | C22 | C23 | H23 | 178.1° | 179.7° |
| C22 | C27 | C26 | C25 | 1.4° | 0.6° |
| C22 | C27 | C26 | H27 | 180.0° | 179.6° |
| C22 | C27 | C26 | H26 | 178.7° | 179.7° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.2° | 0.0° |
| C23 | C24 | C25 | F28 | 179.4° | 180.0° |
| H23 | C23 | C24 | C25 | 179.3° | 180.0° |
| H23 | C23 | C24 | H24 | 0.7° | 0.0° |
| C24 | C25 | C26 | F28 | 179.6° | 180.0° |
| C24 | C25 | C26 | C27 | 0.2° | 0.3° |
| C24 | C25 | C26 | H26 | 179.9° | 180.0° |
| H24 | C24 | C25 | C26 | 179.8° | 180.0° |
| H24 | C24 | C25 | F28 | 0.6° | 0.0° |
| C25 | C26 | C27 | H26 | 180.0° | 179.7° |
| C25 | C26 | C27 | H27 | 178.6° | 179.7° |
| F28 | C25 | C26 | C27 | 179.7° | 179.7° |
| F28 | C25 | C26 | H26 | 0.3° | 0.0° |
| H26 | C26 | C27 | H27 | 1.4° | 0.0° |
| N29 | C30 | C32 | O31 | 177.5° | 180.0° |
| N29 | C30 | C32 | F33 | 128.2° | 60.0° |
| N29 | C30 | C32 | F34 | 112.9° | 60.1° |
| N29 | C30 | C32 | F35 | 7.1° | 180.0° |
| HN29 | N29 | C30 | C32 | 2.9° | 0.0° |
| HN29 | N29 | C30 | O31 | 179.7° | 180.0° |
| C30 | C32 | F33 | F34 | 118.0° | 120.0° |
| C30 | C32 | F33 | F35 | 124.8° | 120.0° |
| C30 | C32 | F34 | F35 | 123.8° | 120.0° |
| O31 | C30 | C32 | F33 | 54.3° | 120.0° |
| O31 | C30 | C32 | F34 | 64.6° | 120.0° |
| O31 | C30 | C32 | F35 | 175.4° | 0.0° |
| F33 | C32 | F34 | F35 | 117.1° | 120.0° |
