2FR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | N7 | sing | 1.46Å | 1.47Å | |
| C23 | C25 | sing | 1.51Å | 1.50Å | |
| N21 | C20 | sing | 1.35Å | 1.33Å | |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C18 | sing | 1.51Å | 1.52Å | |
| C17 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C20 | O22 | doub | 1.21Å | 1.22Å | |
| C20 | C19 | sing | 1.51Å | 1.52Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | N8 | sing | 1.40Å | 1.35Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| C10 | C5 | sing | 1.46Å | 1.48Å | Aromatic |
| C10 | N9 | doub | 1.30Å | 1.35Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | N8 | sing | 1.37Å | 1.35Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | N1 | sing | 1.33Å | 1.36Å | Aromatic |
| C2 | N7 | sing | 1.39Å | 1.36Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| N8 | N9 | sing | 1.40Å | 1.41Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| N21 | HN21 | sing | 0.97Å | 1.00Å | |
| N21 | HN2A | sing | 0.97Å | 1.00Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C30 | C29 | 120.7° | 120.0° |
| C30 | C25 | C26 | 118.6° | 120.0° |
| C30 | C25 | C23 | 122.1° | 120.0° |
| C25 | C30 | H30 | 119.7° | 120.0° |
| C30 | C29 | C28 | 120.1° | 120.0° |
| C29 | C30 | H30 | 119.7° | 120.0° |
| C30 | C29 | H29 | 119.9° | 120.0° |
| C27 | C28 | C29 | 119.8° | 120.0° |
| C28 | C27 | C26 | 119.8° | 120.0° |
| C27 | C28 | H28 | 120.1° | 120.0° |
| C28 | C27 | H27 | 120.1° | 120.0° |
| C29 | C28 | H28 | 120.1° | 120.0° |
| C28 | C29 | H29 | 119.9° | 120.0° |
| C27 | C26 | C25 | 121.0° | 120.0° |
| C26 | C27 | H27 | 120.1° | 120.0° |
| C27 | C26 | H26 | 119.5° | 120.0° |
| C26 | C25 | C23 | 119.3° | 120.0° |
| C25 | C26 | H26 | 119.5° | 120.0° |
| C24 | C23 | N7 | 107.9° | 109.5° |
| C24 | C23 | C25 | 109.8° | 109.5° |
| C23 | C24 | H24 | 109.5° | 109.4° |
| C23 | C24 | H24A | 109.5° | 109.5° |
| C23 | C24 | H24B | 109.5° | 109.5° |
| C24 | C23 | H23 | 111.7° | 109.5° |
| N7 | C23 | C25 | 113.4° | 109.5° |
| C23 | N7 | C2 | 125.8° | 120.0° |
| N7 | C23 | H23 | 108.0° | 109.5° |
| C23 | N7 | HN7 | 104.3° | 120.0° |
| C25 | C23 | H23 | 106.0° | 109.5° |
| N21 | C20 | O22 | 122.3° | 120.0° |
| N21 | C20 | C19 | 117.1° | 120.0° |
| C20 | N21 | HN21 | 112.7° | 120.0° |
| C20 | N21 | HN2A | 123.6° | 120.0° |
| C17 | C16 | C15 | 120.1° | 120.1° |
| C17 | C16 | C18 | 120.5° | 120.0° |
| C16 | C17 | C12 | 123.0° | 119.9° |
| C16 | C17 | H17 | 118.5° | 120.1° |
| C15 | C16 | C18 | 119.5° | 119.9° |
| C16 | C15 | C14 | 118.9° | 120.2° |
| C16 | C15 | H15 | 120.5° | 119.9° |
| C16 | C18 | C19 | 111.6° | 109.5° |
| C16 | C18 | H18 | 108.8° | 109.5° |
| C16 | C18 | H18A | 108.3° | 109.4° |
| C17 | C12 | C13 | 114.3° | 119.9° |
| C17 | C12 | N8 | 124.8° | 120.1° |
| C12 | C17 | H17 | 118.5° | 120.0° |
| O22 | C20 | C19 | 120.6° | 120.0° |
| C20 | C19 | C18 | 112.4° | 109.5° |
| C20 | C19 | H19 | 108.5° | 109.5° |
| C20 | C19 | H19A | 107.9° | 109.5° |
| C15 | C14 | C13 | 119.6° | 120.0° |
| C14 | C15 | H15 | 120.5° | 119.9° |
| C15 | C14 | H14 | 120.2° | 120.0° |
| C13 | C12 | N8 | 120.9° | 120.0° |
| C12 | C13 | C14 | 124.1° | 119.9° |
| C12 | C13 | H13 | 117.9° | 120.1° |
| C12 | N8 | C4 | 125.1° | 125.5° |
| C12 | N8 | N9 | 119.6° | 125.5° |
| C14 | C13 | H13 | 118.0° | 120.0° |
| C13 | C14 | H14 | 120.2° | 120.0° |
| C11 | C10 | C5 | 116.5° | 126.1° |
| C11 | C10 | N9 | 133.7° | 126.1° |
| C10 | C11 | H11 | 109.5° | 109.5° |
| C10 | C11 | H11A | 109.5° | 109.5° |
| C10 | C11 | H11B | 109.5° | 109.5° |
| C5 | C10 | N9 | 109.8° | 107.8° |
| C10 | C5 | C4 | 106.0° | 106.2° |
| C10 | C5 | C6 | 132.2° | 134.7° |
| C10 | N9 | N8 | 103.4° | 110.1° |
| C5 | C4 | C3 | 118.0° | 118.3° |
| C5 | C4 | N8 | 105.5° | 106.8° |
| C4 | C5 | C6 | 121.8° | 119.1° |
| C3 | C4 | N8 | 136.5° | 134.9° |
| C4 | C3 | C2 | 119.4° | 118.8° |
| C4 | C3 | H3 | 120.3° | 120.5° |
| C4 | N8 | N9 | 115.3° | 109.1° |
| C5 | C6 | N1 | 118.9° | 120.3° |
| C5 | C6 | H6 | 120.5° | 119.8° |
| C6 | N1 | C2 | 121.4° | 122.3° |
| N1 | C6 | H6 | 120.6° | 119.9° |
| C3 | C2 | N1 | 120.5° | 121.3° |
| C3 | C2 | N7 | 121.5° | 119.3° |
| C2 | C3 | H3 | 120.3° | 120.6° |
| N1 | C2 | N7 | 118.0° | 119.3° |
| C2 | N7 | HN7 | 104.4° | 120.0° |
| C18 | C19 | H19 | 108.5° | 109.5° |
| C18 | C19 | H19A | 107.8° | 109.5° |
| C19 | C18 | H18 | 108.8° | 109.5° |
| C19 | C18 | H18A | 108.3° | 109.5° |
| H24 | C24 | H24A | 109.5° | 109.5° |
| H24 | C24 | H24B | 109.5° | 109.4° |
| H24A | C24 | H24B | 109.5° | 109.5° |
| HN21 | N21 | HN2A | 123.6° | 119.9° |
| H11 | C11 | H11A | 109.4° | 109.5° |
| H11 | C11 | H11B | 109.5° | 109.5° |
| H11A | C11 | H11B | 109.5° | 109.5° |
| H19 | C19 | H19A | 111.8° | 109.4° |
| H18 | C18 | H18A | 111.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C30 | C29 | H30 | 180.0° | 179.7° |
| C25 | C30 | C29 | C28 | 0.5° | 0.0° |
| C30 | C25 | C26 | C27 | 0.4° | 0.0° |
| C30 | C25 | C26 | C23 | 179.3° | 180.0° |
| C30 | C25 | C23 | C24 | 95.8° | 100.0° |
| C30 | C25 | C23 | N7 | 25.1° | 140.0° |
| C30 | C25 | C26 | H26 | 179.6° | 180.0° |
| C30 | C25 | C23 | H23 | 143.4° | 20.0° |
| C25 | C30 | C29 | H29 | 179.5° | 180.0° |
| C30 | C29 | C28 | C27 | 0.6° | 0.0° |
| C30 | C29 | C28 | H29 | 180.0° | 180.0° |
| C29 | C30 | C25 | C26 | 0.0° | 0.0° |
| C29 | C30 | C25 | C23 | 179.3° | 180.0° |
| C30 | C29 | C28 | H28 | 179.4° | 179.9° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C28 | C27 | C26 | H27 | 180.0° | 179.8° |
| C28 | C27 | C26 | C25 | 0.3° | 0.1° |
| C28 | C27 | C26 | H26 | 179.7° | 180.0° |
| C27 | C28 | C29 | H29 | 179.4° | 180.0° |
| C29 | C28 | C27 | C26 | 0.2° | 0.1° |
| C28 | C29 | C30 | H30 | 179.5° | 179.7° |
| C29 | C28 | C27 | H27 | 179.8° | 179.9° |
| C27 | C26 | C25 | H26 | 180.0° | 179.9° |
| C27 | C26 | C25 | C23 | 179.7° | 179.9° |
| C26 | C27 | C28 | H28 | 179.8° | 180.0° |
| C26 | C25 | C23 | C24 | 84.9° | 80.0° |
| C26 | C25 | C23 | N7 | 154.2° | 40.0° |
| C26 | C25 | C30 | H30 | 180.0° | 179.7° |
| C25 | C26 | C27 | H27 | 179.7° | 179.9° |
| C26 | C25 | C23 | H23 | 35.9° | 160.0° |
| C24 | C23 | N7 | C25 | 121.9° | 120.0° |
| C24 | C23 | N7 | H23 | 120.9° | 120.0° |
| C24 | C23 | C25 | H23 | 120.8° | 120.0° |
| C24 | C23 | N7 | C2 | 174.2° | 85.0° |
| C23 | C24 | H24 | H24A | 120.0° | 120.0° |
| C23 | C24 | H24 | H24B | 120.0° | 120.0° |
| C23 | C24 | H24A | H24B | 120.0° | 120.1° |
| C24 | C23 | N7 | HN7 | 54.2° | 95.0° |
| N7 | C23 | C25 | H23 | 118.3° | 120.0° |
| C23 | N7 | C2 | C3 | 0.1° | 0.1° |
| C23 | N7 | C2 | N1 | 179.7° | 180.0° |
| C23 | N7 | C2 | HN7 | 120.0° | 179.9° |
| N7 | C23 | C24 | H24 | 10.4° | 180.0° |
| N7 | C23 | C24 | H24A | 130.4° | 60.1° |
| N7 | C23 | C24 | H24B | 109.6° | 60.0° |
| C25 | C23 | N7 | C2 | 52.4° | 155.0° |
| C23 | C25 | C30 | H30 | 0.7° | 0.3° |
| C23 | C25 | C26 | H26 | 0.3° | 0.0° |
| C25 | C23 | C24 | H24 | 113.7° | 60.0° |
| C25 | C23 | C24 | H24A | 6.4° | 180.0° |
| C25 | C23 | C24 | H24B | 126.3° | 60.0° |
| C25 | C23 | N7 | HN7 | 67.6° | 25.0° |
| N21 | C20 | O22 | C19 | 179.4° | 180.0° |
| N21 | C20 | C19 | C18 | 73.4° | 180.0° |
| C20 | N21 | HN21 | HN2A | 180.0° | 180.0° |
| N21 | C20 | C19 | H19 | 46.6° | 59.9° |
| N21 | C20 | C19 | H19A | 167.9° | 60.0° |
| C17 | C16 | C15 | C18 | 180.0° | 179.8° |
| C16 | C17 | C12 | H17 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.5° | 0.0° |
| C16 | C17 | C12 | C13 | 0.6° | 0.1° |
| C16 | C17 | C12 | N8 | 179.1° | 180.0° |
| C17 | C16 | C18 | C19 | 108.3° | 90.0° |
| C17 | C16 | C15 | H15 | 179.5° | 180.0° |
| C17 | C16 | C18 | H18 | 131.7° | 150.0° |
| C17 | C16 | C18 | H18A | 10.8° | 30.0° |
| C15 | C16 | C17 | C12 | 0.0° | 0.0° |
| C16 | C15 | C14 | H15 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.3° | 0.0° |
| C15 | C16 | C18 | C19 | 71.8° | 90.3° |
| C15 | C16 | C17 | H17 | 180.0° | 179.9° |
| C16 | C15 | C14 | H14 | 179.7° | 180.0° |
| C15 | C16 | C18 | H18 | 48.2° | 29.8° |
| C15 | C16 | C18 | H18A | 169.1° | 149.8° |
| C18 | C16 | C17 | C12 | 180.0° | 179.7° |
| C16 | C18 | C19 | C20 | 66.1° | 180.0° |
| C18 | C16 | C15 | C14 | 179.6° | 179.8° |
| C16 | C18 | C19 | H18 | 120.0° | 120.1° |
| C16 | C18 | C19 | H18A | 119.1° | 119.9° |
| C18 | C16 | C17 | H17 | 0.1° | 0.3° |
| C18 | C16 | C15 | H15 | 0.5° | 0.2° |
| C16 | C18 | C19 | H19 | 173.9° | 60.0° |
| C16 | C18 | C19 | H19A | 52.7° | 60.0° |
| C16 | C18 | H18 | H18A | 119.1° | 120.0° |
| C17 | C12 | C13 | N8 | 178.5° | 179.9° |
| C17 | C12 | C13 | C14 | 0.8° | 0.0° |
| C17 | C12 | N8 | C4 | 55.6° | 145.1° |
| C17 | C12 | N8 | N9 | 124.9° | 35.1° |
| C17 | C12 | C13 | H13 | 179.1° | 179.9° |
| O22 | C20 | C19 | C18 | 107.1° | 0.0° |
| O22 | C20 | N21 | HN21 | 0.0° | 0.0° |
| O22 | C20 | N21 | HN2A | 180.0° | 179.9° |
| O22 | C20 | C19 | H19 | 132.9° | 120.1° |
| O22 | C20 | C19 | H19A | 11.6° | 120.0° |
| C20 | C19 | C18 | H19 | 120.0° | 120.0° |
| C20 | C19 | C18 | H19A | 118.8° | 120.0° |
| C19 | C20 | N21 | HN21 | 179.4° | 180.0° |
| C19 | C20 | N21 | HN2A | 0.6° | 0.0° |
| C20 | C19 | H19 | H19A | 118.8° | 120.0° |
| C20 | C19 | C18 | H18 | 173.9° | 60.0° |
| C20 | C19 | C18 | H18A | 53.0° | 60.0° |
| C15 | C14 | C13 | C12 | 0.4° | 0.0° |
| C15 | C14 | C13 | H14 | 180.0° | 180.0° |
| C15 | C14 | C13 | H13 | 179.6° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C13 | C12 | N8 | C4 | 126.0° | 35.0° |
| C13 | C12 | N8 | N9 | 53.5° | 144.9° |
| C13 | C12 | C17 | H17 | 179.3° | 179.9° |
| C12 | C13 | C14 | H14 | 179.6° | 180.0° |
| N8 | C12 | C13 | C14 | 179.3° | 180.0° |
| C12 | N8 | N9 | C10 | 179.8° | 179.9° |
| C12 | N8 | C4 | C5 | 179.8° | 180.0° |
| C12 | N8 | C4 | C3 | 0.3° | 0.3° |
| C12 | N8 | C4 | N9 | 179.5° | 179.9° |
| N8 | C12 | C17 | H17 | 0.9° | 0.0° |
| N8 | C12 | C13 | H13 | 0.6° | 0.0° |
| C13 | C14 | C15 | H15 | 179.7° | 180.0° |
| C11 | C10 | C5 | N9 | 180.0° | 179.8° |
| C11 | C10 | C5 | C4 | 180.0° | 180.0° |
| C11 | C10 | C5 | C6 | 0.1° | 0.0° |
| C11 | C10 | N9 | N8 | 179.9° | 180.0° |
| C10 | C11 | H11 | H11A | 120.0° | 120.0° |
| C10 | C11 | H11 | H11B | 120.0° | 120.0° |
| C10 | C11 | H11A | H11B | 120.0° | 120.0° |
| C10 | C5 | C4 | C6 | 180.0° | 180.0° |
| C10 | C5 | C4 | C3 | 179.9° | 179.9° |
| C10 | C5 | C4 | N8 | 0.1° | 0.2° |
| C10 | C5 | C6 | N1 | 179.9° | 180.0° |
| C5 | C10 | N9 | N8 | 0.2° | 0.2° |
| C5 | C10 | C11 | H11 | 146.9° | 90.0° |
| C5 | C10 | C11 | H11A | 93.1° | 150.0° |
| C5 | C10 | C11 | H11B | 26.9° | 30.0° |
| C10 | C5 | C6 | H6 | 0.1° | 0.0° |
| N9 | C10 | C5 | C4 | 0.0° | 0.2° |
| C10 | N9 | N8 | C4 | 0.3° | 0.1° |
| N9 | C10 | C5 | C6 | 180.0° | 179.8° |
| N9 | C10 | C11 | H11 | 33.0° | 90.2° |
| N9 | C10 | C11 | H11A | 87.0° | 29.8° |
| N9 | C10 | C11 | H11B | 153.0° | 149.8° |
| C5 | C4 | C3 | N8 | 179.9° | 179.7° |
| C4 | C5 | C6 | N1 | 0.0° | 0.0° |
| C5 | C4 | C3 | C2 | 0.3° | 0.1° |
| C5 | C4 | N8 | N9 | 0.3° | 0.1° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C5 | C4 | C3 | H3 | 179.8° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | N1 | 0.2° | 0.1° |
| C4 | C3 | C2 | N7 | 179.3° | 180.0° |
| C3 | C4 | N8 | N9 | 179.8° | 179.8° |
| N8 | C4 | C5 | C6 | 179.8° | 179.8° |
| N8 | C4 | C3 | C2 | 179.7° | 179.8° |
| N8 | C4 | C3 | H3 | 0.3° | 0.3° |
| C5 | C6 | N1 | H6 | 180.0° | 180.0° |
| C5 | C6 | N1 | C2 | 0.1° | 0.0° |
| C6 | N1 | C2 | C3 | 0.0° | 0.1° |
| C6 | N1 | C2 | N7 | 179.5° | 180.0° |
| C3 | C2 | N1 | N7 | 179.6° | 179.9° |
| C3 | C2 | N7 | HN7 | 119.9° | 180.0° |
| C2 | N1 | C6 | H6 | 179.9° | 180.0° |
| N1 | C2 | C3 | H3 | 179.8° | 180.0° |
| N1 | C2 | N7 | HN7 | 59.7° | 0.1° |
| C2 | N7 | C23 | H23 | 64.8° | 35.0° |
| N7 | C2 | C3 | H3 | 0.6° | 0.1° |
| C18 | C19 | H19 | H19A | 118.8° | 120.0° |
| C19 | C18 | H18 | H18A | 119.1° | 120.0° |
| H30 | C30 | C29 | H29 | 0.5° | 0.2° |
| H28 | C28 | C27 | H27 | 0.2° | 0.2° |
| H28 | C28 | C29 | H29 | 0.6° | 0.1° |
| H27 | C27 | C26 | H26 | 0.3° | 0.1° |
| H24 | C24 | H24A | H24B | 120.0° | 120.0° |
| H24 | C24 | C23 | H23 | 129.0° | 60.0° |
| H24A | C24 | C23 | H23 | 111.0° | 60.0° |
| H24B | C24 | C23 | H23 | 9.0° | 180.0° |
| H23 | C23 | N7 | HN7 | 175.1° | 145.0° |
| H15 | C15 | C14 | H14 | 0.3° | 0.0° |
| H13 | C13 | C14 | H14 | 0.4° | 0.1° |
| H11 | C11 | H11A | H11B | 120.0° | 120.0° |
| H19 | C19 | C18 | H18 | 53.9° | 60.0° |
| H19 | C19 | C18 | H18A | 67.0° | 180.0° |
| H19A | C19 | C18 | H18 | 67.4° | 180.0° |
| H19A | C19 | C18 | H18A | 171.8° | 60.0° |
