4QA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F25 | C23 | sing | 1.35Å | 1.32Å | |
| O11 | C3 | doub | 1.22Å | 1.23Å | |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | N4 | sing | 1.34Å | 1.37Å | |
| C3 | N2 | sing | 1.35Å | 1.39Å | |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | N2 | sing | 1.40Å | 1.41Å | |
| N4 | C5 | doub | 1.31Å | 1.31Å | |
| N2 | C1 | sing | 1.47Å | 1.45Å | |
| C5 | C1 | sing | 1.51Å | 1.52Å | |
| C5 | N12 | sing | 1.35Å | 1.38Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.53Å | 1.53Å | |
| C1 | C10 | sing | 1.53Å | 1.52Å | |
| C30 | C31 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C14 | N12 | sing | 1.46Å | 1.46Å | |
| C14 | C19 | sing | 1.53Å | 1.52Å | |
| C7 | N8 | sing | 1.47Å | 1.48Å | |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C31 | O33 | sing | 1.36Å | 1.39Å | |
| C31 | C32 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| O33 | C34 | sing | 1.43Å | 1.44Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C36 | C34 | sing | 1.53Å | 1.52Å | |
| C27 | C32 | sing | 1.38Å | 1.37Å | Aromatic |
| C27 | C26 | sing | 1.51Å | 1.50Å | |
| C9 | N8 | sing | 1.47Å | 1.51Å | |
| N8 | C26 | sing | 1.47Å | 1.51Å | |
| C34 | C35 | sing | 1.53Å | 1.50Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| N12 | H10 | sing | 0.97Å | 1.00Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | H24 | sing | 1.08Å | 1.08Å | |
| C24 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H31 | sing | 1.08Å | 1.08Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H37 | sing | 1.09Å | 1.10Å | |
| C36 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F25 | C23 | C22 | 119.3° | 120.0° |
| F25 | C23 | C24 | 118.7° | 120.0° |
| O11 | C3 | N4 | 125.0° | 123.9° |
| O11 | C3 | N2 | 125.9° | 123.9° |
| C22 | C23 | C24 | 121.9° | 120.1° |
| C23 | C22 | C21 | 119.1° | 120.1° |
| C23 | C22 | H24 | 120.4° | 120.0° |
| C23 | C24 | C13 | 118.5° | 119.9° |
| C23 | C24 | H25 | 120.8° | 120.1° |
| C22 | C21 | C20 | 119.5° | 120.1° |
| C22 | C21 | H23 | 120.2° | 119.9° |
| C21 | C22 | H24 | 120.5° | 119.9° |
| C24 | C13 | C20 | 119.9° | 119.9° |
| C24 | C13 | N2 | 119.7° | 120.1° |
| C13 | C24 | H25 | 120.7° | 120.1° |
| N4 | C3 | N2 | 108.8° | 112.1° |
| C3 | N4 | C5 | 106.5° | 112.5° |
| C3 | N2 | C13 | 120.7° | 127.2° |
| C3 | N2 | C1 | 113.2° | 105.7° |
| C21 | C20 | C13 | 120.9° | 120.0° |
| C21 | C20 | H22 | 119.6° | 120.0° |
| C20 | C21 | H23 | 120.2° | 119.9° |
| C20 | C13 | N2 | 120.1° | 120.0° |
| C13 | C20 | H22 | 119.6° | 120.0° |
| C13 | N2 | C1 | 126.1° | 127.2° |
| N4 | C5 | C1 | 116.1° | 105.9° |
| N4 | C5 | N12 | 125.0° | 127.1° |
| N2 | C1 | C5 | 94.9° | 103.9° |
| N2 | C1 | C6 | 114.5° | 110.6° |
| N2 | C1 | C10 | 113.3° | 110.6° |
| C1 | C5 | N12 | 118.8° | 127.0° |
| C5 | C1 | C6 | 111.4° | 110.6° |
| C5 | C1 | C10 | 108.4° | 110.5° |
| C5 | N12 | C14 | 120.6° | 120.0° |
| C5 | N12 | H10 | 119.7° | 120.0° |
| C15 | C16 | C17 | 111.9° | 109.5° |
| C16 | C15 | C14 | 110.5° | 109.5° |
| C16 | C15 | H12 | 109.2° | 109.5° |
| C16 | C15 | H13 | 109.2° | 109.5° |
| C15 | C16 | H14 | 108.9° | 109.5° |
| C15 | C16 | H15 | 108.9° | 109.5° |
| C16 | C17 | C18 | 112.2° | 109.5° |
| C17 | C16 | H14 | 108.8° | 109.5° |
| C17 | C16 | H15 | 108.9° | 109.4° |
| C16 | C17 | H16 | 108.8° | 109.5° |
| C16 | C17 | H17 | 108.8° | 109.5° |
| C15 | C14 | N12 | 108.6° | 109.5° |
| C15 | C14 | C19 | 110.8° | 109.5° |
| C15 | C14 | H11 | 109.1° | 109.5° |
| C14 | C15 | H12 | 109.2° | 109.5° |
| C14 | C15 | H13 | 109.2° | 109.4° |
| C30 | C29 | C28 | 119.7° | 120.0° |
| C29 | C30 | C31 | 119.8° | 120.0° |
| C30 | C29 | H29 | 120.1° | 120.0° |
| C29 | C30 | H30 | 120.1° | 120.0° |
| C29 | C28 | C27 | 120.6° | 120.1° |
| C29 | C28 | H28 | 119.7° | 119.9° |
| C28 | C29 | H29 | 120.2° | 120.0° |
| C6 | C1 | C10 | 112.8° | 110.5° |
| C1 | C6 | C7 | 114.9° | 109.3° |
| C1 | C6 | H1 | 108.1° | 109.5° |
| C1 | C6 | H2 | 108.1° | 109.5° |
| C1 | C10 | C9 | 113.5° | 109.3° |
| C1 | C10 | H8 | 108.5° | 109.5° |
| C1 | C10 | H9 | 108.5° | 109.5° |
| C30 | C31 | O33 | 117.8° | 120.1° |
| C30 | C31 | C32 | 119.8° | 119.9° |
| C31 | C30 | H30 | 120.1° | 120.0° |
| C6 | C7 | N8 | 111.2° | 109.4° |
| C7 | C6 | H1 | 108.1° | 109.6° |
| C7 | C6 | H2 | 108.1° | 109.5° |
| C6 | C7 | H3 | 109.1° | 109.5° |
| C6 | C7 | H4 | 109.1° | 109.5° |
| N12 | C14 | C19 | 109.4° | 109.5° |
| C14 | N12 | H10 | 119.7° | 120.0° |
| N12 | C14 | H11 | 109.9° | 109.4° |
| C14 | C19 | C18 | 111.6° | 109.4° |
| C19 | C14 | H11 | 109.0° | 109.4° |
| C14 | C19 | H20 | 109.0° | 109.4° |
| C14 | C19 | H21 | 108.9° | 109.5° |
| C7 | N8 | C9 | 119.2° | 111.3° |
| C7 | N8 | C26 | 114.4° | 111.0° |
| N8 | C7 | H3 | 109.1° | 109.5° |
| N8 | C7 | H4 | 109.1° | 109.5° |
| C28 | C27 | C32 | 119.5° | 120.1° |
| C28 | C27 | C26 | 122.1° | 120.0° |
| C27 | C28 | H28 | 119.7° | 120.0° |
| C17 | C18 | C19 | 110.5° | 109.5° |
| C18 | C17 | H16 | 108.8° | 109.4° |
| C18 | C17 | H17 | 108.8° | 109.5° |
| C17 | C18 | H18 | 109.2° | 109.5° |
| C17 | C18 | H19 | 109.2° | 109.5° |
| O33 | C31 | C32 | 122.3° | 120.1° |
| C31 | O33 | C34 | 111.4° | 117.0° |
| C31 | C32 | C27 | 120.6° | 120.0° |
| C31 | C32 | H31 | 119.7° | 120.0° |
| C10 | C9 | N8 | 114.2° | 109.5° |
| C10 | C9 | H6 | 108.3° | 109.4° |
| C10 | C9 | H7 | 108.3° | 109.4° |
| C9 | C10 | H8 | 108.5° | 109.5° |
| C9 | C10 | H9 | 108.5° | 109.4° |
| O33 | C34 | C36 | 107.8° | 109.4° |
| O33 | C34 | C35 | 107.0° | 109.5° |
| O33 | C34 | H32 | 110.9° | 109.4° |
| C19 | C18 | H18 | 109.2° | 109.5° |
| C19 | C18 | H19 | 109.2° | 109.4° |
| C18 | C19 | H20 | 108.9° | 109.5° |
| C18 | C19 | H21 | 108.9° | 109.5° |
| C36 | C34 | C35 | 111.4° | 109.5° |
| C36 | C34 | H32 | 109.7° | 109.5° |
| C34 | C36 | H36 | 109.5° | 109.5° |
| C34 | C36 | H37 | 109.5° | 109.4° |
| C34 | C36 | H38 | 109.5° | 109.5° |
| C32 | C27 | C26 | 118.4° | 120.0° |
| C27 | C32 | H31 | 119.7° | 120.0° |
| C27 | C26 | N8 | 112.2° | 109.5° |
| C27 | C26 | H26 | 108.8° | 109.5° |
| C27 | C26 | H27 | 108.8° | 109.5° |
| C9 | N8 | C26 | 115.9° | 111.0° |
| N8 | C9 | H6 | 108.3° | 109.5° |
| N8 | C9 | H7 | 108.3° | 109.5° |
| N8 | C26 | H26 | 108.8° | 109.5° |
| N8 | C26 | H27 | 108.8° | 109.5° |
| C35 | C34 | H32 | 110.0° | 109.5° |
| C34 | C35 | H33 | 109.5° | 109.5° |
| C34 | C35 | H34 | 109.5° | 109.5° |
| C34 | C35 | H35 | 109.5° | 109.5° |
| H1 | C6 | H2 | 109.5° | 109.5° |
| H3 | C7 | H4 | 109.4° | 109.5° |
| H6 | C9 | H7 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H16 | C17 | H17 | 109.5° | 109.5° |
| H18 | C18 | H19 | 109.5° | 109.4° |
| H20 | C19 | H21 | 109.5° | 109.5° |
| H26 | C26 | H27 | 109.5° | 109.4° |
| H33 | C35 | H34 | 109.4° | 109.4° |
| H33 | C35 | H35 | 109.5° | 109.4° |
| H34 | C35 | H35 | 109.5° | 109.5° |
| H36 | C36 | H37 | 109.5° | 109.4° |
| H36 | C36 | H38 | 109.5° | 109.4° |
| H37 | C36 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F25 | C23 | C22 | C24 | 178.5° | 179.8° |
| F25 | C23 | C22 | C21 | 178.0° | 179.9° |
| F25 | C23 | C24 | C13 | 178.5° | 179.7° |
| F25 | C23 | C22 | H24 | 1.9° | 0.0° |
| F25 | C23 | C24 | H25 | 1.5° | 0.2° |
| O11 | C3 | N4 | N2 | 174.2° | 180.0° |
| O11 | C3 | N2 | C13 | 13.0° | 0.0° |
| O11 | C3 | N4 | C5 | 167.5° | 180.0° |
| O11 | C3 | N2 | C1 | 166.5° | 180.0° |
| C23 | C22 | C21 | H24 | 180.0° | 179.9° |
| C22 | C23 | C24 | C13 | 0.1° | 0.5° |
| C23 | C22 | C21 | C20 | 1.6° | 0.0° |
| C23 | C22 | C21 | H23 | 178.4° | 180.0° |
| C22 | C23 | C24 | H25 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 0.5° | 0.3° |
| C23 | C24 | C13 | H25 | 180.0° | 179.5° |
| C23 | C24 | C13 | C20 | 2.4° | 0.5° |
| C23 | C24 | C13 | N2 | 176.3° | 179.7° |
| C24 | C23 | C22 | H24 | 179.5° | 179.8° |
| C22 | C21 | C20 | H23 | 180.0° | 180.0° |
| C22 | C21 | C20 | C13 | 4.1° | 0.0° |
| C22 | C21 | C20 | H22 | 175.9° | 180.0° |
| C24 | C13 | N2 | C3 | 82.4° | 0.2° |
| C24 | C13 | C20 | C21 | 4.5° | 0.2° |
| C24 | C13 | C20 | N2 | 173.9° | 179.8° |
| C24 | C13 | N2 | C1 | 97.1° | 179.7° |
| C24 | C13 | C20 | H22 | 175.5° | 179.8° |
| N4 | C3 | N2 | C13 | 172.9° | 180.0° |
| N4 | C3 | N2 | C1 | 7.6° | 0.0° |
| C3 | N4 | C5 | C1 | 3.8° | 0.0° |
| C3 | N4 | C5 | N12 | 179.4° | 180.0° |
| C3 | N2 | C13 | C20 | 91.5° | 180.0° |
| C3 | N2 | C13 | C1 | 179.5° | 179.9° |
| N2 | C3 | N4 | C5 | 6.7° | 0.0° |
| C3 | N2 | C1 | C5 | 4.7° | 0.0° |
| C3 | N2 | C1 | C6 | 111.5° | 118.6° |
| C3 | N2 | C1 | C10 | 117.1° | 118.6° |
| C21 | C20 | C13 | H22 | 180.0° | 180.0° |
| C21 | C20 | C13 | N2 | 178.4° | 180.0° |
| C20 | C21 | C22 | H24 | 178.4° | 180.0° |
| C20 | C13 | N2 | C1 | 89.0° | 0.1° |
| C13 | C20 | C21 | H23 | 175.9° | 180.0° |
| C20 | C13 | C24 | H25 | 177.6° | 180.0° |
| C13 | N2 | C1 | C5 | 175.8° | 180.0° |
| C13 | N2 | C1 | C6 | 68.0° | 61.3° |
| C13 | N2 | C1 | C10 | 63.3° | 61.4° |
| N2 | C13 | C20 | H22 | 1.6° | 0.0° |
| N2 | C13 | C24 | H25 | 3.7° | 0.3° |
| N4 | C5 | C1 | N2 | 0.5° | 0.0° |
| N4 | C5 | C1 | N12 | 176.9° | 180.0° |
| N4 | C5 | C1 | C6 | 118.3° | 118.7° |
| N4 | C5 | C1 | C10 | 117.0° | 118.6° |
| N4 | C5 | N12 | C14 | 6.8° | 0.0° |
| N4 | C5 | N12 | H10 | 173.2° | 180.0° |
| N2 | C1 | C5 | C6 | 118.8° | 118.7° |
| N2 | C1 | C5 | C10 | 116.5° | 118.6° |
| N2 | C1 | C5 | N12 | 176.5° | 180.0° |
| N2 | C1 | C6 | C10 | 131.6° | 122.8° |
| N2 | C1 | C6 | C7 | 80.6° | 66.4° |
| N2 | C1 | C10 | C9 | 85.0° | 66.6° |
| N2 | C1 | C6 | H1 | 158.6° | 173.5° |
| N2 | C1 | C6 | H2 | 40.2° | 53.4° |
| N2 | C1 | C10 | H8 | 35.5° | 53.4° |
| N2 | C1 | C10 | H9 | 154.3° | 173.6° |
| C5 | C1 | C6 | C10 | 122.2° | 122.7° |
| C5 | C1 | C6 | C7 | 173.2° | 179.1° |
| C1 | C5 | N12 | C14 | 176.6° | 180.0° |
| C5 | C1 | C10 | C9 | 171.0° | 179.0° |
| C5 | C1 | C6 | H1 | 52.4° | 59.0° |
| C5 | C1 | C6 | H2 | 66.0° | 61.0° |
| C5 | C1 | C10 | H8 | 68.4° | 61.0° |
| C5 | C1 | C10 | H9 | 50.4° | 59.1° |
| C1 | C5 | N12 | H10 | 3.4° | 0.0° |
| C5 | N12 | C14 | C15 | 98.7° | 85.0° |
| N12 | C5 | C1 | C6 | 64.8° | 61.3° |
| N12 | C5 | C1 | C10 | 59.9° | 61.4° |
| C5 | N12 | C14 | H10 | 180.0° | 180.0° |
| C5 | N12 | C14 | C19 | 140.2° | 155.0° |
| C5 | N12 | C14 | H11 | 20.5° | 35.0° |
| C15 | C16 | C17 | H14 | 120.4° | 120.0° |
| C15 | C16 | C17 | H15 | 120.4° | 120.0° |
| C16 | C15 | C14 | H12 | 120.2° | 120.0° |
| C16 | C15 | C14 | H13 | 120.2° | 120.0° |
| C16 | C15 | C14 | N12 | 176.5° | 180.0° |
| C16 | C15 | C14 | C19 | 56.3° | 60.0° |
| C15 | C16 | C17 | C18 | 54.0° | 60.0° |
| C16 | C15 | C14 | H11 | 63.7° | 60.0° |
| C16 | C15 | H12 | H13 | 119.5° | 120.0° |
| C15 | C16 | H14 | H15 | 118.9° | 120.0° |
| C15 | C16 | C17 | H16 | 174.5° | 180.0° |
| C15 | C16 | C17 | H17 | 66.4° | 60.0° |
| C17 | C16 | C15 | C14 | 54.8° | 60.0° |
| C16 | C17 | C18 | H16 | 120.4° | 120.0° |
| C16 | C17 | C18 | H17 | 120.4° | 120.0° |
| C16 | C17 | C18 | C19 | 53.7° | 60.0° |
| C17 | C16 | C15 | H12 | 65.4° | 180.0° |
| C17 | C16 | C15 | H13 | 174.9° | 60.0° |
| C17 | C16 | H14 | H15 | 118.9° | 120.0° |
| C16 | C17 | H16 | H17 | 118.7° | 120.0° |
| C16 | C17 | C18 | H18 | 66.4° | 60.0° |
| C16 | C17 | C18 | H19 | 173.9° | 180.0° |
| C15 | C14 | N12 | C19 | 121.1° | 120.1° |
| C15 | C14 | N12 | H11 | 119.2° | 120.0° |
| C15 | C14 | C19 | H11 | 120.0° | 120.0° |
| C15 | C14 | C19 | C18 | 57.4° | 60.0° |
| C15 | C14 | N12 | H10 | 81.3° | 95.0° |
| C14 | C15 | H12 | H13 | 119.5° | 120.0° |
| C14 | C15 | C16 | H14 | 65.6° | 60.1° |
| C14 | C15 | C16 | H15 | 175.2° | 180.0° |
| C15 | C14 | C19 | H20 | 63.0° | 60.0° |
| C15 | C14 | C19 | H21 | 177.7° | 180.0° |
| C30 | C29 | C28 | H29 | 180.0° | 180.0° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C30 | C29 | C28 | C27 | 0.3° | 0.0° |
| C29 | C30 | C31 | O33 | 178.8° | 180.0° |
| C29 | C30 | C31 | C32 | 0.1° | 0.0° |
| C30 | C29 | C28 | H28 | 179.7° | 180.0° |
| C28 | C29 | C30 | C31 | 0.1° | 0.0° |
| C29 | C28 | C27 | H28 | 180.0° | 180.0° |
| C29 | C28 | C27 | C32 | 0.6° | 0.0° |
| C29 | C28 | C27 | C26 | 178.2° | 179.7° |
| C28 | C29 | C30 | H30 | 180.0° | 179.9° |
| C1 | C6 | C7 | H1 | 120.8° | 120.0° |
| C1 | C6 | C7 | H2 | 120.8° | 119.9° |
| C1 | C6 | C7 | N8 | 47.5° | 58.3° |
| C6 | C1 | C10 | C9 | 47.2° | 56.3° |
| C1 | C6 | H1 | H2 | 117.5° | 120.0° |
| C1 | C6 | C7 | H3 | 167.8° | 178.2° |
| C1 | C6 | C7 | H4 | 72.7° | 61.7° |
| C6 | C1 | C10 | H8 | 167.8° | 176.2° |
| C6 | C1 | C10 | H9 | 73.4° | 63.6° |
| C10 | C1 | C6 | C7 | 51.0° | 56.3° |
| C1 | C10 | C9 | H8 | 120.6° | 119.9° |
| C1 | C10 | C9 | H9 | 120.6° | 119.9° |
| C1 | C10 | C9 | N8 | 41.9° | 58.2° |
| C10 | C1 | C6 | H1 | 69.8° | 63.7° |
| C10 | C1 | C6 | H2 | 171.8° | 176.2° |
| C1 | C10 | C9 | H6 | 78.8° | 178.3° |
| C1 | C10 | C9 | H7 | 162.6° | 61.8° |
| C1 | C10 | H8 | H9 | 118.2° | 120.1° |
| C30 | C31 | O33 | C32 | 178.7° | 180.0° |
| C30 | C31 | O33 | C34 | 169.0° | 4.1° |
| C30 | C31 | C32 | C27 | 0.3° | 0.0° |
| C31 | C30 | C29 | H29 | 179.9° | 180.0° |
| C30 | C31 | C32 | H31 | 179.7° | 179.7° |
| C6 | C7 | N8 | H3 | 120.3° | 120.0° |
| C6 | C7 | N8 | H4 | 120.3° | 120.0° |
| C6 | C7 | N8 | C9 | 43.4° | 62.2° |
| C6 | C7 | N8 | C26 | 173.3° | 173.6° |
| C7 | C6 | H1 | H2 | 117.5° | 120.1° |
| C6 | C7 | H3 | H4 | 119.2° | 120.0° |
| N12 | C14 | C19 | H11 | 120.2° | 119.9° |
| N12 | C14 | C19 | C18 | 177.1° | 180.0° |
| N12 | C14 | C15 | H12 | 56.3° | 60.0° |
| N12 | C14 | C15 | H13 | 63.3° | 60.1° |
| N12 | C14 | C19 | H20 | 56.7° | 60.0° |
| N12 | C14 | C19 | H21 | 62.6° | 59.9° |
| C14 | C19 | C18 | C17 | 55.5° | 60.0° |
| C14 | C19 | C18 | H20 | 120.3° | 119.9° |
| C14 | C19 | C18 | H21 | 120.3° | 120.0° |
| C19 | C14 | N12 | H10 | 39.7° | 25.1° |
| C19 | C14 | C15 | H12 | 63.9° | 180.0° |
| C19 | C14 | C15 | H13 | 176.4° | 60.0° |
| C14 | C19 | C18 | H18 | 64.6° | 60.1° |
| C14 | C19 | C18 | H19 | 175.6° | 180.0° |
| C14 | C19 | H20 | H21 | 119.0° | 120.0° |
| C7 | N8 | C9 | C10 | 41.7° | 62.2° |
| C7 | N8 | C26 | C27 | 74.6° | 163.3° |
| C7 | N8 | C9 | C26 | 142.8° | 124.1° |
| N8 | C7 | C6 | H1 | 73.2° | 61.7° |
| N8 | C7 | C6 | H2 | 168.4° | 178.2° |
| N8 | C7 | H3 | H4 | 119.2° | 120.0° |
| C7 | N8 | C9 | H6 | 79.0° | 177.8° |
| C7 | N8 | C9 | H7 | 162.4° | 57.8° |
| C7 | N8 | C26 | H26 | 45.8° | 43.3° |
| C7 | N8 | C26 | H27 | 165.0° | 76.6° |
| C28 | C27 | C32 | C31 | 0.6° | 0.0° |
| C28 | C27 | C32 | C26 | 178.8° | 179.7° |
| C28 | C27 | C26 | N8 | 88.2° | 89.7° |
| C28 | C27 | C26 | H26 | 32.3° | 150.3° |
| C28 | C27 | C26 | H27 | 151.4° | 30.3° |
| C27 | C28 | C29 | H29 | 179.7° | 179.9° |
| C28 | C27 | C32 | H31 | 179.3° | 179.8° |
| C17 | C18 | C19 | H18 | 120.1° | 120.1° |
| C17 | C18 | C19 | H19 | 120.1° | 120.0° |
| C18 | C17 | C16 | H14 | 66.3° | 60.0° |
| C18 | C17 | C16 | H15 | 174.4° | 180.0° |
| C18 | C17 | H16 | H17 | 118.8° | 120.0° |
| C17 | C18 | H18 | H19 | 119.5° | 120.0° |
| C17 | C18 | C19 | H20 | 64.9° | 60.0° |
| C17 | C18 | C19 | H21 | 175.8° | 180.0° |
| C31 | O33 | C34 | C36 | 134.8° | 156.4° |
| O33 | C31 | C32 | C27 | 178.4° | 180.0° |
| C31 | O33 | C34 | C35 | 105.2° | 83.6° |
| O33 | C31 | C30 | H30 | 1.3° | 0.1° |
| O33 | C31 | C32 | H31 | 1.7° | 0.2° |
| C31 | O33 | C34 | H32 | 14.7° | 36.5° |
| C32 | C31 | O33 | C34 | 9.6° | 175.8° |
| C31 | C32 | C27 | H31 | 180.0° | 179.8° |
| C31 | C32 | C27 | C26 | 178.2° | 179.8° |
| C32 | C31 | C30 | H30 | 179.9° | 180.0° |
| C10 | C9 | N8 | H6 | 120.7° | 120.0° |
| C10 | C9 | N8 | H7 | 120.7° | 120.0° |
| C10 | C9 | N8 | C26 | 175.6° | 173.7° |
| C10 | C9 | H6 | H7 | 117.9° | 119.9° |
| C9 | C10 | H8 | H9 | 118.2° | 120.1° |
| O33 | C34 | C36 | C35 | 117.2° | 120.0° |
| O33 | C34 | C36 | H32 | 120.8° | 119.9° |
| O33 | C34 | C35 | H32 | 120.5° | 120.0° |
| O33 | C34 | C35 | H33 | 180.0° | 60.0° |
| O33 | C34 | C35 | H34 | 60.0° | 180.0° |
| O33 | C34 | C35 | H35 | 60.0° | 60.0° |
| O33 | C34 | C36 | H36 | 180.0° | 60.0° |
| O33 | C34 | C36 | H37 | 60.0° | 180.0° |
| O33 | C34 | C36 | H38 | 60.0° | 60.0° |
| C18 | C19 | C14 | H11 | 62.7° | 60.1° |
| C19 | C18 | C17 | H16 | 174.1° | 179.9° |
| C19 | C18 | C17 | H17 | 66.7° | 60.0° |
| C19 | C18 | H18 | H19 | 119.5° | 119.9° |
| C18 | C19 | H20 | H21 | 119.0° | 120.1° |
| C36 | C34 | C35 | H32 | 121.8° | 120.0° |
| C36 | C34 | C35 | H33 | 62.4° | 60.0° |
| C36 | C34 | C35 | H34 | 177.7° | 60.0° |
| C36 | C34 | C35 | H35 | 57.6° | 180.0° |
| C34 | C36 | H36 | H37 | 120.0° | 120.0° |
| C34 | C36 | H36 | H38 | 120.0° | 120.0° |
| C34 | C36 | H37 | H38 | 120.0° | 120.0° |
| C32 | C27 | C26 | N8 | 90.7° | 90.0° |
| C32 | C27 | C26 | H26 | 148.9° | 30.0° |
| C32 | C27 | C26 | H27 | 29.8° | 150.0° |
| C32 | C27 | C28 | H28 | 179.3° | 180.0° |
| C27 | C26 | N8 | C9 | 70.0° | 72.3° |
| C27 | C26 | N8 | H26 | 120.4° | 120.0° |
| C27 | C26 | N8 | H27 | 120.4° | 120.0° |
| C27 | C26 | H26 | H27 | 118.7° | 120.1° |
| C26 | C27 | C28 | H28 | 1.9° | 0.3° |
| C26 | C27 | C32 | H31 | 1.8° | 0.0° |
| C9 | N8 | C7 | H3 | 163.6° | 177.8° |
| C9 | N8 | C7 | H4 | 76.9° | 57.8° |
| N8 | C9 | H6 | H7 | 117.9° | 120.1° |
| N8 | C9 | C10 | H8 | 162.5° | 178.2° |
| N8 | C9 | C10 | H9 | 78.7° | 61.7° |
| C9 | N8 | C26 | H26 | 169.6° | 167.7° |
| C9 | N8 | C26 | H27 | 50.4° | 47.7° |
| C26 | N8 | C7 | H3 | 53.0° | 53.6° |
| C26 | N8 | C7 | H4 | 66.4° | 66.4° |
| C26 | N8 | C9 | H6 | 63.8° | 53.7° |
| C26 | N8 | C9 | H7 | 54.9° | 66.4° |
| N8 | C26 | H26 | H27 | 118.7° | 119.9° |
| C34 | C35 | H33 | H34 | 120.0° | 120.0° |
| C34 | C35 | H33 | H35 | 120.0° | 120.0° |
| C34 | C35 | H34 | H35 | 120.0° | 120.1° |
| C35 | C34 | C36 | H36 | 62.8° | 180.0° |
| C35 | C34 | C36 | H37 | 57.2° | 60.0° |
| C35 | C34 | C36 | H38 | 177.2° | 60.0° |
| H1 | C6 | C7 | H3 | 47.0° | 58.2° |
| H1 | C6 | C7 | H4 | 166.5° | 178.3° |
| H2 | C6 | C7 | H3 | 71.4° | 61.9° |
| H2 | C6 | C7 | H4 | 48.1° | 58.2° |
| H6 | C9 | C10 | H8 | 41.8° | 61.8° |
| H6 | C9 | C10 | H9 | 160.6° | 58.3° |
| H7 | C9 | C10 | H8 | 76.9° | 58.2° |
| H7 | C9 | C10 | H9 | 41.9° | 178.3° |
| H10 | N12 | C14 | H11 | 159.4° | 145.0° |
| H11 | C14 | C15 | H12 | 176.1° | 60.0° |
| H11 | C14 | C15 | H13 | 56.4° | 180.0° |
| H11 | C14 | C19 | H20 | 177.0° | 180.0° |
| H11 | C14 | C19 | H21 | 57.6° | 60.0° |
| H12 | C15 | C16 | H14 | 174.2° | 60.0° |
| H12 | C15 | C16 | H15 | 55.0° | 60.0° |
| H13 | C15 | C16 | H14 | 54.6° | 180.0° |
| H13 | C15 | C16 | H15 | 64.7° | 60.0° |
| H14 | C16 | C17 | H16 | 54.1° | 60.0° |
| H14 | C16 | C17 | H17 | 173.2° | 180.0° |
| H15 | C16 | C17 | H16 | 65.1° | 60.0° |
| H15 | C16 | C17 | H17 | 54.0° | 60.0° |
| H16 | C17 | C18 | H18 | 54.0° | 60.0° |
| H16 | C17 | C18 | H19 | 65.7° | 59.9° |
| H17 | C17 | C18 | H18 | 173.2° | 179.9° |
| H17 | C17 | C18 | H19 | 53.4° | 60.0° |
| H18 | C18 | C19 | H20 | 175.0° | 180.0° |
| H18 | C18 | C19 | H21 | 55.6° | 59.9° |
| H19 | C18 | C19 | H20 | 55.3° | 60.0° |
| H19 | C18 | C19 | H21 | 64.1° | 60.0° |
| H22 | C20 | C21 | H23 | 4.1° | 0.0° |
| H23 | C21 | C22 | H24 | 1.6° | 0.0° |
| H28 | C28 | C29 | H29 | 0.3° | 0.0° |
| H29 | C29 | C30 | H30 | 0.0° | 0.1° |
| H32 | C34 | C35 | H33 | 59.5° | 180.0° |
| H32 | C34 | C35 | H34 | 60.5° | 60.0° |
| H32 | C34 | C35 | H35 | 179.5° | 60.0° |
| H32 | C34 | C36 | H36 | 59.2° | 59.9° |
| H32 | C34 | C36 | H37 | 179.2° | 60.0° |
| H32 | C34 | C36 | H38 | 60.8° | 179.9° |
| H33 | C35 | H34 | H35 | 120.0° | 119.9° |
| H36 | C36 | H37 | H38 | 120.0° | 120.0° |
