A1IHT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | doub | 1.22Å | 1.22Å | |
| C30 | S29 | sing | 1.76Å | 1.71Å | Aromatic |
| C30 | C31 | doub | 1.33Å | 1.37Å | Aromatic |
| S29 | C28 | sing | 1.76Å | 1.70Å | Aromatic |
| C2 | C3 | sing | 1.48Å | 1.50Å | |
| C2 | N10 | sing | 1.35Å | 1.35Å | |
| C31 | C27 | sing | 1.39Å | 1.43Å | Aromatic |
| C9 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | N5 | doub | 1.32Å | 1.34Å | Aromatic |
| C6 | N5 | sing | 1.32Å | 1.34Å | Aromatic |
| C37 | N10 | sing | 1.47Å | 1.46Å | |
| C37 | C34 | sing | 1.54Å | 1.52Å | |
| N10 | C11 | sing | 1.47Å | 1.46Å | |
| C27 | C28 | doub | 1.33Å | 1.36Å | Aromatic |
| C27 | C26 | sing | 1.51Å | 1.51Å | |
| C34 | C35 | sing | 1.57Å | 1.53Å | |
| C34 | N13 | sing | 1.49Å | 1.52Å | |
| C35 | C36 | sing | 1.54Å | 1.55Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.54Å | 1.52Å | |
| C25 | N24 | sing | 1.46Å | 1.46Å | |
| C36 | C12 | sing | 1.55Å | 1.53Å | |
| C23 | N24 | sing | 1.35Å | 1.34Å | Aromatic |
| C23 | C22 | doub | 1.35Å | 1.36Å | Aromatic |
| N13 | C12 | sing | 1.49Å | 1.52Å | |
| N13 | C14 | sing | 1.47Å | 1.52Å | |
| N24 | N32 | sing | 1.29Å | 1.34Å | Aromatic |
| C22 | C14 | sing | 1.51Å | 1.50Å | |
| C22 | N33 | sing | 1.34Å | 1.36Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| N32 | N33 | doub | 1.29Å | 1.31Å | Aromatic |
| C15 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | F20 | sing | 1.35Å | 1.36Å | |
| C19 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C36 | H36B | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C37 | H37B | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8C | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | C3 | 119.4° | 120.0° |
| O1 | C2 | N10 | 121.7° | 120.0° |
| S29 | C30 | C31 | 110.6° | 109.6° |
| C30 | S29 | C28 | 92.5° | 91.0° |
| S29 | C30 | H30 | 124.7° | 125.2° |
| C30 | C31 | C27 | 113.3° | 114.9° |
| C31 | C30 | H30 | 124.7° | 125.2° |
| C30 | C31 | H31 | 123.3° | 122.5° |
| S29 | C28 | C27 | 112.4° | 109.6° |
| S29 | C28 | H28 | 123.8° | 125.2° |
| C3 | C2 | N10 | 118.9° | 120.0° |
| C2 | C3 | C9 | 119.8° | 120.6° |
| C2 | C3 | C4 | 123.1° | 120.6° |
| C2 | N10 | C37 | 120.8° | 120.7° |
| C2 | N10 | C11 | 126.5° | 120.7° |
| C31 | C27 | C28 | 111.2° | 114.9° |
| C31 | C27 | C26 | 123.5° | 122.5° |
| C27 | C31 | H31 | 123.3° | 122.6° |
| C3 | C9 | C7 | 121.0° | 118.3° |
| C9 | C3 | C4 | 117.0° | 118.9° |
| C3 | C9 | H9 | 119.5° | 120.9° |
| C9 | C7 | C8 | 121.3° | 120.4° |
| C9 | C7 | C6 | 116.9° | 119.3° |
| C7 | C9 | H9 | 119.5° | 120.8° |
| C3 | C4 | N5 | 123.6° | 120.6° |
| C3 | C4 | H4 | 118.2° | 119.7° |
| C8 | C7 | C6 | 121.9° | 120.4° |
| C7 | C8 | H8C | 109.5° | 109.5° |
| C7 | C8 | H8A | 109.5° | 109.4° |
| C7 | C8 | H8B | 109.5° | 109.5° |
| C7 | C6 | N5 | 124.0° | 121.1° |
| C7 | C6 | H6 | 118.0° | 119.4° |
| C4 | N5 | C6 | 117.6° | 121.9° |
| N5 | C4 | H4 | 118.2° | 119.7° |
| N5 | C6 | H6 | 118.0° | 119.4° |
| N10 | C37 | C34 | 110.0° | 108.0° |
| C37 | N10 | C11 | 112.6° | 118.6° |
| N10 | C37 | H37A | 109.4° | 109.8° |
| N10 | C37 | H37B | 109.4° | 109.8° |
| C37 | C34 | C35 | 112.9° | 107.6° |
| C37 | C34 | N13 | 108.3° | 107.2° |
| C37 | C34 | H34 | 111.3° | 112.6° |
| C34 | C37 | H37A | 109.3° | 109.7° |
| C34 | C37 | H37B | 109.3° | 109.7° |
| N10 | C11 | C12 | 109.7° | 108.1° |
| N10 | C11 | H11A | 109.4° | 109.7° |
| N10 | C11 | H11B | 109.4° | 109.8° |
| C28 | C27 | C26 | 125.3° | 122.6° |
| C27 | C28 | H28 | 123.8° | 125.1° |
| C27 | C26 | C25 | 112.1° | 109.4° |
| C27 | C26 | H26A | 108.8° | 109.5° |
| C27 | C26 | H26B | 108.8° | 109.5° |
| C35 | C34 | N13 | 101.2° | 104.1° |
| C34 | C35 | C36 | 104.9° | 104.7° |
| C35 | C34 | H34 | 111.2° | 112.2° |
| C34 | C35 | H35B | 110.6° | 110.3° |
| C34 | C35 | H35A | 110.6° | 110.4° |
| C34 | N13 | C12 | 100.6° | 103.7° |
| C34 | N13 | C14 | 120.2° | 111.0° |
| N13 | C34 | H34 | 111.4° | 112.7° |
| C35 | C36 | C12 | 105.0° | 104.9° |
| C36 | C35 | H35B | 110.6° | 110.7° |
| C36 | C35 | H35A | 110.6° | 110.2° |
| C35 | C36 | H36A | 110.6° | 110.3° |
| C35 | C36 | H36B | 110.6° | 110.4° |
| C26 | C25 | N24 | 111.5° | 109.5° |
| C26 | C25 | H25B | 109.0° | 109.5° |
| C26 | C25 | H25A | 109.0° | 109.5° |
| C25 | C26 | H26A | 108.8° | 109.5° |
| C25 | C26 | H26B | 108.8° | 109.4° |
| C11 | C12 | C36 | 112.7° | 107.8° |
| C11 | C12 | N13 | 108.7° | 107.2° |
| C12 | C11 | H11A | 109.4° | 109.7° |
| C12 | C11 | H11B | 109.4° | 109.8° |
| C11 | C12 | H12 | 111.3° | 112.1° |
| C25 | N24 | C23 | 128.5° | 125.9° |
| C25 | N24 | N32 | 120.6° | 125.9° |
| N24 | C25 | H25B | 109.0° | 109.5° |
| N24 | C25 | H25A | 109.0° | 109.4° |
| C36 | C12 | N13 | 101.3° | 104.9° |
| C36 | C12 | H12 | 111.1° | 112.3° |
| C12 | C36 | H36A | 110.6° | 110.3° |
| C12 | C36 | H36B | 110.6° | 110.3° |
| N24 | C23 | C22 | 105.1° | 106.2° |
| C23 | N24 | N32 | 110.9° | 108.2° |
| N24 | C23 | H23 | 127.4° | 126.9° |
| C23 | C22 | C14 | 130.3° | 126.8° |
| C23 | C22 | N33 | 107.9° | 106.5° |
| C22 | C23 | H23 | 127.5° | 126.9° |
| C12 | N13 | C14 | 122.7° | 111.3° |
| N13 | C12 | H12 | 111.3° | 112.2° |
| N13 | C14 | C22 | 109.9° | 109.5° |
| N13 | C14 | C15 | 112.2° | 109.5° |
| N13 | C14 | H14 | 107.5° | 109.5° |
| N24 | N32 | N33 | 107.0° | 110.2° |
| C14 | C22 | N33 | 121.6° | 126.8° |
| C22 | C14 | C15 | 111.6° | 109.5° |
| C22 | C14 | H14 | 107.8° | 109.5° |
| C22 | N33 | N32 | 109.1° | 108.9° |
| C14 | C15 | C21 | 120.0° | 120.0° |
| C14 | C15 | C16 | 121.0° | 120.0° |
| C15 | C14 | H14 | 107.6° | 109.5° |
| C21 | C15 | C16 | 119.1° | 120.0° |
| C15 | C21 | C19 | 118.8° | 120.0° |
| C15 | C21 | H21 | 120.6° | 120.0° |
| C15 | C16 | C17 | 120.7° | 120.1° |
| C15 | C16 | H16 | 119.6° | 119.9° |
| C21 | C19 | F20 | 118.1° | 120.1° |
| C21 | C19 | C18 | 123.3° | 119.9° |
| C19 | C21 | H21 | 120.6° | 120.0° |
| C16 | C17 | C18 | 120.4° | 120.0° |
| C17 | C16 | H16 | 119.7° | 120.0° |
| C16 | C17 | H17 | 119.8° | 120.0° |
| F20 | C19 | C18 | 118.6° | 120.0° |
| C19 | C18 | C17 | 117.8° | 120.0° |
| C19 | C18 | H18 | 121.1° | 120.0° |
| C18 | C17 | H17 | 119.8° | 120.0° |
| C17 | C18 | H18 | 121.1° | 120.0° |
| H11A | C11 | H11B | 109.5° | 109.7° |
| H25B | C25 | H25A | 109.5° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.5° |
| H35B | C35 | H35A | 109.5° | 110.4° |
| H36A | C36 | H36B | 109.5° | 110.4° |
| H37A | C37 | H37B | 109.5° | 109.8° |
| H8C | C8 | H8A | 109.5° | 109.5° |
| H8C | C8 | H8B | 109.4° | 109.5° |
| H8A | C8 | H8B | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C3 | N10 | 178.7° | 180.0° |
| O1 | C2 | C3 | C9 | 77.4° | 133.7° |
| O1 | C2 | C3 | C4 | 100.0° | 45.9° |
| O1 | C2 | N10 | C37 | 11.7° | 176.5° |
| O1 | C2 | N10 | C11 | 171.1° | 3.5° |
| S29 | C30 | C31 | H30 | 180.0° | 179.7° |
| S29 | C30 | C31 | C27 | 0.0° | 0.3° |
| C30 | S29 | C28 | C27 | 0.0° | 0.3° |
| C30 | S29 | C28 | H28 | 180.0° | 179.7° |
| S29 | C30 | C31 | H31 | 179.9° | 179.9° |
| C31 | C30 | S29 | C28 | 0.0° | 0.3° |
| C30 | C31 | C27 | H31 | 180.0° | 179.7° |
| C30 | C31 | C27 | C28 | 0.0° | 0.0° |
| C30 | C31 | C27 | C26 | 178.9° | 179.7° |
| S29 | C28 | C27 | C31 | 0.0° | 0.2° |
| S29 | C28 | C27 | H28 | 180.0° | 180.0° |
| S29 | C28 | C27 | C26 | 178.9° | 179.9° |
| C28 | S29 | C30 | H30 | 180.0° | 180.0° |
| C2 | C3 | C9 | C4 | 177.5° | 179.7° |
| C2 | C3 | C9 | C7 | 177.3° | 180.0° |
| C2 | C3 | C4 | N5 | 177.2° | 180.0° |
| C3 | C2 | N10 | C37 | 166.9° | 3.5° |
| C3 | C2 | N10 | C11 | 10.2° | 176.5° |
| C2 | C3 | C4 | H4 | 2.8° | 0.1° |
| C2 | C3 | C9 | H9 | 2.7° | 0.1° |
| N10 | C2 | C3 | C9 | 101.3° | 46.3° |
| N10 | C2 | C3 | C4 | 81.3° | 134.1° |
| C2 | N10 | C37 | C11 | 177.5° | 180.0° |
| C2 | N10 | C37 | C34 | 124.4° | 132.7° |
| C2 | N10 | C11 | C12 | 124.5° | 132.6° |
| C2 | N10 | C11 | H11A | 115.5° | 13.0° |
| C2 | N10 | C11 | H11B | 4.5° | 107.7° |
| C2 | N10 | C37 | H37A | 4.4° | 107.7° |
| C2 | N10 | C37 | H37B | 115.5° | 13.0° |
| C31 | C27 | C28 | C26 | 178.9° | 179.7° |
| C31 | C27 | C26 | C25 | 62.3° | 90.3° |
| C31 | C27 | C26 | H26A | 177.3° | 149.8° |
| C31 | C27 | C26 | H26B | 58.1° | 29.7° |
| C31 | C27 | C28 | H28 | 180.0° | 179.8° |
| C27 | C31 | C30 | H30 | 179.9° | 180.0° |
| C3 | C9 | C7 | H9 | 180.0° | 179.9° |
| C3 | C9 | C7 | C8 | 179.6° | 179.7° |
| C3 | C9 | C7 | C6 | 0.1° | 0.1° |
| C9 | C3 | C4 | N5 | 0.2° | 0.3° |
| C9 | C3 | C4 | H4 | 179.7° | 179.8° |
| C7 | C9 | C3 | C4 | 0.2° | 0.3° |
| C9 | C7 | C8 | C6 | 179.7° | 179.9° |
| C9 | C7 | C6 | N5 | 0.0° | 0.1° |
| C9 | C7 | C6 | H6 | 179.9° | 180.0° |
| C9 | C7 | C8 | H8C | 90.1° | 90.2° |
| C9 | C7 | C8 | H8A | 149.9° | 29.9° |
| C9 | C7 | C8 | H8B | 29.9° | 149.8° |
| C3 | C4 | N5 | H4 | 180.0° | 179.9° |
| C3 | C4 | N5 | C6 | 0.1° | 0.1° |
| C4 | C3 | C9 | H9 | 179.7° | 179.7° |
| C8 | C7 | C6 | N5 | 179.8° | 180.0° |
| C8 | C7 | C6 | H6 | 0.2° | 0.1° |
| C7 | C8 | H8C | H8A | 120.0° | 120.0° |
| C7 | C8 | H8C | H8B | 120.0° | 120.0° |
| C7 | C8 | H8A | H8B | 120.0° | 119.9° |
| C8 | C7 | C9 | H9 | 0.4° | 0.2° |
| C7 | C6 | N5 | C4 | 0.1° | 0.1° |
| C7 | C6 | N5 | H6 | 180.0° | 179.9° |
| C6 | C7 | C8 | H8C | 90.1° | 89.9° |
| C6 | C7 | C8 | H8A | 29.9° | 150.0° |
| C6 | C7 | C8 | H8B | 149.8° | 30.1° |
| C6 | C7 | C9 | H9 | 179.9° | 180.0° |
| C4 | N5 | C6 | H6 | 179.9° | 180.0° |
| C6 | N5 | C4 | H4 | 179.9° | 180.0° |
| N10 | C37 | C34 | H37A | 120.1° | 119.7° |
| N10 | C37 | C34 | H37B | 120.1° | 119.6° |
| N10 | C37 | C34 | C35 | 48.1° | 53.0° |
| N10 | C37 | C34 | N13 | 63.2° | 58.4° |
| C37 | N10 | C11 | C12 | 52.9° | 47.4° |
| C37 | N10 | C11 | H11A | 67.1° | 167.0° |
| C37 | N10 | C11 | H11B | 172.9° | 72.3° |
| N10 | C37 | C34 | H34 | 174.0° | 177.1° |
| N10 | C37 | H37A | H37B | 119.8° | 120.7° |
| C34 | C37 | N10 | C11 | 53.1° | 47.3° |
| C37 | C34 | C35 | N13 | 115.5° | 113.5° |
| C37 | C34 | C35 | H34 | 126.0° | 124.4° |
| C37 | C34 | N13 | H34 | 122.7° | 124.4° |
| C37 | C34 | C35 | C36 | 85.0° | 89.1° |
| C37 | C34 | N13 | C12 | 69.5° | 73.2° |
| C37 | C34 | N13 | C14 | 68.6° | 46.4° |
| C37 | C34 | C35 | H35B | 34.3° | 30.1° |
| C37 | C34 | C35 | H35A | 155.7° | 152.4° |
| C34 | C37 | H37A | H37B | 119.7° | 120.7° |
| N10 | C11 | C12 | H11A | 120.0° | 119.6° |
| N10 | C11 | C12 | H11B | 120.0° | 119.7° |
| N10 | C11 | C12 | C36 | 48.4° | 54.0° |
| N10 | C11 | C12 | N13 | 63.1° | 58.5° |
| N10 | C11 | H11A | H11B | 119.9° | 120.7° |
| N10 | C11 | C12 | H12 | 174.0° | 178.0° |
| C11 | N10 | C37 | H37A | 173.2° | 72.3° |
| C11 | N10 | C37 | H37B | 67.0° | 167.0° |
| C28 | C27 | C26 | C25 | 116.5° | 90.0° |
| C28 | C27 | C26 | H26A | 3.9° | 29.9° |
| C28 | C27 | C26 | H26B | 123.1° | 150.0° |
| C28 | C27 | C31 | H31 | 180.0° | 179.7° |
| C27 | C26 | C25 | H26A | 120.4° | 120.0° |
| C27 | C26 | C25 | H26B | 120.4° | 120.0° |
| C27 | C26 | C25 | N24 | 48.0° | 180.0° |
| C27 | C26 | C25 | H25B | 168.3° | 60.0° |
| C27 | C26 | C25 | H25A | 72.3° | 60.0° |
| C27 | C26 | H26A | H26B | 118.8° | 120.1° |
| C26 | C27 | C28 | H28 | 1.1° | 0.1° |
| C26 | C27 | C31 | H31 | 1.1° | 0.0° |
| C35 | C34 | N13 | H34 | 118.3° | 121.8° |
| C34 | C35 | C36 | H35B | 119.3° | 118.9° |
| C34 | C35 | C36 | H35A | 119.3° | 118.7° |
| C34 | C35 | C36 | C12 | 0.5° | 0.3° |
| C35 | C34 | N13 | C12 | 49.5° | 40.6° |
| C35 | C34 | N13 | C14 | 172.5° | 160.2° |
| C34 | C35 | H35B | H35A | 122.1° | 122.3° |
| C34 | C35 | C36 | H36A | 118.8° | 118.5° |
| C34 | C35 | C36 | H36B | 119.8° | 119.1° |
| C35 | C34 | C37 | H37A | 72.0° | 172.7° |
| C35 | C34 | C37 | H37B | 168.1° | 66.7° |
| N13 | C34 | C35 | C36 | 30.5° | 24.4° |
| C34 | N13 | C12 | C11 | 69.7° | 73.2° |
| C34 | N13 | C12 | C36 | 49.2° | 41.2° |
| C34 | N13 | C12 | C14 | 136.6° | 119.4° |
| C34 | N13 | C14 | C22 | 57.4° | 60.0° |
| C34 | N13 | C14 | C15 | 177.7° | 180.0° |
| C34 | N13 | C12 | H12 | 167.3° | 163.3° |
| C34 | N13 | C14 | H14 | 59.6° | 60.0° |
| N13 | C34 | C35 | H35B | 149.8° | 143.6° |
| N13 | C34 | C35 | H35A | 88.7° | 94.1° |
| N13 | C34 | C37 | H37A | 176.7° | 61.3° |
| N13 | C34 | C37 | H37B | 56.9° | 178.1° |
| C35 | C36 | C12 | C11 | 86.3° | 89.0° |
| C35 | C36 | C12 | H36A | 119.3° | 118.8° |
| C35 | C36 | C12 | H36B | 119.3° | 118.9° |
| C35 | C36 | C12 | N13 | 29.7° | 25.0° |
| C35 | C36 | C12 | H12 | 148.0° | 147.1° |
| C36 | C35 | C34 | H34 | 149.0° | 146.5° |
| C36 | C35 | H35B | H35A | 122.1° | 122.3° |
| C35 | C36 | H36A | H36B | 122.1° | 122.3° |
| C26 | C25 | N24 | H25B | 120.3° | 120.0° |
| C26 | C25 | N24 | H25A | 120.3° | 120.0° |
| C26 | C25 | N24 | C23 | 117.5° | 125.0° |
| C26 | C25 | N24 | N32 | 58.2° | 54.9° |
| C26 | C25 | H25B | H25A | 119.1° | 120.0° |
| C25 | C26 | H26A | H26B | 118.8° | 120.0° |
| C11 | C12 | C36 | N13 | 115.9° | 113.9° |
| C11 | C12 | C36 | H12 | 125.7° | 124.0° |
| C11 | C12 | N13 | H12 | 122.9° | 123.5° |
| C11 | C12 | N13 | C14 | 66.9° | 46.1° |
| C12 | C11 | H11A | H11B | 119.9° | 120.7° |
| C11 | C12 | C36 | H36A | 33.0° | 152.2° |
| C11 | C12 | C36 | H36B | 154.4° | 29.9° |
| C25 | N24 | C23 | N32 | 176.1° | 179.9° |
| C25 | N24 | C23 | C22 | 175.9° | 179.9° |
| C25 | N24 | N32 | N33 | 176.4° | 179.7° |
| C25 | N24 | C23 | H23 | 4.0° | 0.1° |
| N24 | C25 | H25B | H25A | 119.1° | 120.0° |
| N24 | C25 | C26 | H26A | 72.4° | 60.0° |
| N24 | C25 | C26 | H26B | 168.4° | 60.0° |
| C36 | C12 | N13 | H12 | 118.2° | 122.1° |
| C36 | C12 | N13 | C14 | 174.2° | 160.6° |
| C36 | C12 | C11 | H11A | 168.4° | 65.7° |
| C36 | C12 | C11 | H11B | 71.6° | 173.7° |
| C12 | C36 | C35 | H35B | 119.8° | 118.6° |
| C12 | C36 | C35 | H35A | 118.8° | 118.9° |
| C12 | C36 | H36A | H36B | 122.1° | 122.2° |
| N24 | C23 | C22 | H23 | 180.0° | 180.0° |
| N24 | C23 | C22 | C14 | 175.8° | 180.0° |
| N24 | C23 | C22 | N33 | 0.1° | 0.3° |
| C23 | N24 | N32 | N33 | 0.1° | 0.3° |
| C23 | N24 | C25 | H25B | 122.2° | 4.9° |
| C23 | N24 | C25 | H25A | 2.8° | 115.0° |
| C23 | C22 | C14 | N13 | 117.9° | 155.3° |
| C22 | C23 | N24 | N32 | 0.1° | 0.0° |
| C23 | C22 | C14 | N33 | 175.4° | 179.7° |
| C23 | C22 | C14 | C15 | 116.8° | 84.7° |
| C23 | C22 | N33 | N32 | 0.1° | 0.5° |
| C23 | C22 | C14 | H14 | 1.1° | 35.3° |
| C12 | N13 | C14 | C22 | 174.0° | 174.9° |
| C12 | N13 | C14 | C15 | 49.1° | 65.0° |
| N13 | C12 | C11 | H11A | 57.0° | 178.1° |
| N13 | C12 | C11 | H11B | 176.9° | 61.2° |
| C12 | N13 | C14 | H14 | 69.0° | 55.0° |
| C12 | N13 | C34 | H34 | 167.8° | 162.3° |
| N13 | C12 | C36 | H36A | 149.0° | 93.8° |
| N13 | C12 | C36 | H36B | 89.6° | 143.9° |
| N13 | C14 | C22 | C15 | 125.3° | 120.0° |
| N13 | C14 | C22 | H14 | 116.8° | 120.0° |
| N13 | C14 | C22 | N33 | 57.5° | 25.1° |
| N13 | C14 | C15 | H14 | 118.0° | 120.0° |
| N13 | C14 | C15 | C21 | 127.4° | 140.0° |
| N13 | C14 | C15 | C16 | 52.9° | 40.3° |
| C14 | N13 | C12 | H12 | 56.0° | 77.3° |
| C14 | N13 | C34 | H34 | 54.2° | 78.1° |
| N24 | N32 | N33 | C22 | 0.0° | 0.5° |
| N32 | N24 | C23 | H23 | 179.9° | 180.0° |
| N32 | N24 | C25 | H25B | 62.1° | 175.0° |
| N32 | N24 | C25 | H25A | 178.6° | 65.0° |
| C22 | C14 | C15 | H14 | 118.0° | 120.0° |
| C14 | C22 | N33 | N32 | 176.2° | 179.8° |
| C22 | C14 | C15 | C21 | 108.7° | 100.0° |
| C22 | C14 | C15 | C16 | 71.0° | 79.7° |
| C14 | C22 | C23 | H23 | 4.2° | 0.0° |
| N33 | C22 | C14 | C15 | 67.7° | 94.9° |
| N33 | C22 | C14 | H14 | 174.3° | 145.0° |
| N33 | C22 | C23 | H23 | 179.9° | 179.7° |
| C14 | C15 | C21 | C16 | 179.7° | 179.7° |
| C14 | C15 | C21 | C19 | 179.7° | 179.7° |
| C14 | C15 | C16 | C17 | 179.7° | 180.0° |
| C14 | C15 | C16 | H16 | 0.3° | 0.1° |
| C14 | C15 | C21 | H21 | 0.3° | 0.0° |
| C15 | C21 | C19 | H21 | 180.0° | 179.7° |
| C21 | C15 | C16 | C17 | 0.0° | 0.3° |
| C15 | C21 | C19 | F20 | 180.0° | 179.7° |
| C15 | C21 | C19 | C18 | 0.0° | 0.6° |
| C21 | C15 | C14 | H14 | 9.4° | 20.0° |
| C21 | C15 | C16 | H16 | 180.0° | 179.8° |
| C16 | C15 | C21 | C19 | 0.0° | 0.6° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.0° | 0.0° |
| C16 | C15 | C14 | H14 | 171.0° | 160.3° |
| C15 | C16 | C17 | H17 | 180.0° | 180.0° |
| C16 | C15 | C21 | H21 | 180.0° | 179.7° |
| C21 | C19 | F20 | C18 | 180.0° | 179.7° |
| C21 | C19 | C18 | C17 | 0.1° | 0.3° |
| C21 | C19 | C18 | H18 | 179.9° | 179.7° |
| C16 | C17 | C18 | C19 | 0.0° | 0.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| F20 | C19 | C18 | C17 | 180.0° | 180.0° |
| F20 | C19 | C18 | H18 | 0.0° | 0.0° |
| F20 | C19 | C21 | H21 | 0.0° | 0.0° |
| C19 | C18 | C17 | H18 | 180.0° | 180.0° |
| C19 | C18 | C17 | H17 | 180.0° | 180.0° |
| C18 | C19 | C21 | H21 | 179.9° | 179.7° |
| C18 | C17 | C16 | H16 | 180.0° | 179.9° |
| H11A | C11 | C12 | H12 | 66.0° | 58.4° |
| H11B | C11 | C12 | H12 | 54.0° | 62.3° |
| H12 | C12 | C36 | H36A | 92.7° | 28.2° |
| H12 | C12 | C36 | H36B | 28.7° | 94.0° |
| H16 | C16 | C17 | H17 | 0.0° | 0.1° |
| H17 | C17 | C18 | H18 | 0.0° | 0.0° |
| H25B | C25 | C26 | H26A | 47.9° | 60.0° |
| H25B | C25 | C26 | H26B | 71.3° | 180.0° |
| H25A | C25 | C26 | H26A | 167.3° | 180.0° |
| H25A | C25 | C26 | H26B | 48.1° | 60.0° |
| H30 | C30 | C31 | H31 | 0.1° | 0.4° |
| H34 | C34 | C35 | H35B | 91.7° | 94.3° |
| H34 | C34 | C35 | H35A | 29.7° | 28.0° |
| H34 | C34 | C37 | H37A | 54.0° | 63.2° |
| H34 | C34 | C37 | H37B | 65.9° | 57.5° |
| H35B | C35 | C36 | H36A | 0.5° | 122.6° |
| H35B | C35 | C36 | H36B | 120.9° | 0.2° |
| H35A | C35 | C36 | H36A | 122.0° | 0.1° |
| H35A | C35 | C36 | H36B | 0.5° | 122.2° |
| H8C | C8 | H8A | H8B | 120.0° | 120.0° |
