4QD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F25 | C23 | sing | 1.35Å | 1.33Å | |
| O11 | C3 | doub | 1.22Å | 1.22Å | |
| C23 | C22 | doub | 1.39Å | 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 | 1.36Å | |
| C3 | N2 | sing | 1.35Å | 1.38Å | |
| 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 | 1.30Å | |
| 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 | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C1 | C6 | sing | 1.53Å | 1.53Å | |
| C1 | C10 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C14 | N12 | sing | 1.47Å | 1.45Å | |
| C14 | C19 | sing | 1.53Å | 1.52Å | |
| C7 | N8 | sing | 1.47Å | 1.50Å | |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| N37 | C35 | sing | 1.47Å | 1.48Å | |
| C31 | O33 | sing | 1.36Å | 1.39Å | |
| C31 | C32 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| O33 | C34 | sing | 1.43Å | 1.44Å | |
| C27 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | sing | 1.51Å | 1.50Å | |
| C9 | N8 | sing | 1.47Å | 1.51Å | |
| N8 | C26 | sing | 1.47Å | 1.50Å | |
| C35 | C34 | sing | 1.53Å | 1.52Å | |
| C34 | C36 | sing | 1.53Å | 1.52Å | |
| 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 | |
| C36 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H37 | sing | 1.09Å | 1.10Å | |
| N37 | H38 | sing | 1.01Å | 1.00Å | |
| N37 | H39 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F25 | C23 | C22 | 119.0° | 120.0° |
| F25 | C23 | C24 | 119.4° | 120.0° |
| O11 | C3 | N4 | 125.2° | 123.9° |
| O11 | C3 | N2 | 126.3° | 123.9° |
| C22 | C23 | C24 | 121.6° | 120.1° |
| C23 | C22 | C21 | 119.3° | 120.1° |
| C23 | C22 | H24 | 120.3° | 119.9° |
| C23 | C24 | C13 | 118.6° | 119.9° |
| C23 | C24 | H25 | 120.7° | 120.1° |
| C22 | C21 | C20 | 119.9° | 120.1° |
| C22 | C21 | H23 | 120.1° | 120.0° |
| C21 | C22 | H24 | 120.4° | 120.0° |
| C24 | C13 | C20 | 120.3° | 119.8° |
| C24 | C13 | N2 | 120.2° | 120.1° |
| C13 | C24 | H25 | 120.7° | 120.0° |
| N4 | C3 | N2 | 108.5° | 112.1° |
| C3 | N4 | C5 | 107.6° | 112.5° |
| C3 | N2 | C13 | 119.9° | 127.2° |
| C3 | N2 | C1 | 113.3° | 105.6° |
| C21 | C20 | C13 | 120.3° | 120.0° |
| C21 | C20 | H22 | 119.8° | 120.0° |
| C20 | C21 | H23 | 120.1° | 119.9° |
| C20 | C13 | N2 | 119.4° | 120.1° |
| C13 | C20 | H22 | 119.8° | 120.0° |
| C13 | N2 | C1 | 126.8° | 127.2° |
| N4 | C5 | C1 | 115.4° | 105.9° |
| N4 | C5 | N12 | 125.3° | 127.1° |
| N2 | C1 | C5 | 95.1° | 103.9° |
| N2 | C1 | C6 | 115.5° | 110.5° |
| N2 | C1 | C10 | 114.2° | 110.6° |
| C1 | C5 | N12 | 119.3° | 127.0° |
| C5 | C1 | C6 | 109.4° | 110.5° |
| C5 | C1 | C10 | 109.0° | 110.6° |
| C5 | N12 | C14 | 121.0° | 120.0° |
| C5 | N12 | H10 | 119.5° | 120.0° |
| C15 | C16 | C17 | 110.4° | 109.5° |
| C16 | C15 | C14 | 110.6° | 109.5° |
| C16 | C15 | H12 | 109.2° | 109.5° |
| C16 | C15 | H13 | 109.2° | 109.5° |
| C15 | C16 | H14 | 109.2° | 109.5° |
| C15 | C16 | H15 | 109.2° | 109.4° |
| C16 | C17 | C18 | 110.4° | 109.5° |
| C17 | C16 | H14 | 109.2° | 109.5° |
| C17 | C16 | H15 | 109.3° | 109.5° |
| C16 | C17 | H16 | 109.2° | 109.5° |
| C16 | C17 | H17 | 109.2° | 109.5° |
| C15 | C14 | N12 | 110.0° | 109.5° |
| C15 | C14 | C19 | 110.1° | 109.5° |
| C15 | C14 | H11 | 108.5° | 109.5° |
| C14 | C15 | H12 | 109.2° | 109.4° |
| C14 | C15 | H13 | 109.2° | 109.5° |
| C6 | C1 | C10 | 112.2° | 110.5° |
| C1 | C6 | C7 | 113.5° | 109.3° |
| C1 | C6 | H1 | 108.4° | 109.5° |
| C1 | C6 | H2 | 108.5° | 109.5° |
| C1 | C10 | C9 | 112.7° | 109.3° |
| C1 | C10 | H8 | 108.7° | 109.5° |
| C1 | C10 | H9 | 108.7° | 109.5° |
| C30 | C29 | C28 | 119.2° | 120.0° |
| C29 | C30 | C31 | 120.3° | 120.0° |
| C30 | C29 | H29 | 120.4° | 120.0° |
| C29 | C30 | H30 | 119.8° | 120.0° |
| C29 | C28 | C27 | 120.8° | 120.1° |
| C29 | C28 | H28 | 119.6° | 119.9° |
| C28 | C29 | H29 | 120.4° | 120.0° |
| C30 | C31 | O33 | 116.4° | 120.1° |
| C30 | C31 | C32 | 120.2° | 119.9° |
| C31 | C30 | H30 | 119.9° | 120.0° |
| C6 | C7 | N8 | 110.3° | 109.5° |
| C7 | C6 | H1 | 108.5° | 109.5° |
| C7 | C6 | H2 | 108.4° | 109.5° |
| C6 | C7 | H3 | 109.3° | 109.5° |
| C6 | C7 | H4 | 109.3° | 109.5° |
| N12 | C14 | C19 | 110.5° | 109.5° |
| C14 | N12 | H10 | 119.5° | 120.0° |
| N12 | C14 | H11 | 109.4° | 109.5° |
| C14 | C19 | C18 | 110.3° | 109.5° |
| C19 | C14 | H11 | 108.5° | 109.5° |
| C14 | C19 | H20 | 109.3° | 109.5° |
| C14 | C19 | H21 | 109.3° | 109.5° |
| C7 | N8 | C9 | 116.3° | 111.3° |
| C7 | N8 | C26 | 113.0° | 111.0° |
| N8 | C7 | H3 | 109.3° | 109.4° |
| N8 | C7 | H4 | 109.3° | 109.5° |
| C28 | C27 | C32 | 119.7° | 120.0° |
| C28 | C27 | C26 | 121.4° | 119.9° |
| C27 | C28 | H28 | 119.6° | 119.9° |
| C17 | C18 | C19 | 110.3° | 109.5° |
| C18 | C17 | H16 | 109.2° | 109.4° |
| C18 | C17 | H17 | 109.2° | 109.5° |
| C17 | C18 | H18 | 109.3° | 109.5° |
| C17 | C18 | H19 | 109.3° | 109.4° |
| N37 | C35 | C34 | 108.6° | 109.5° |
| N37 | C35 | H33 | 109.7° | 109.5° |
| N37 | C35 | H34 | 109.7° | 109.5° |
| C35 | N37 | H38 | 109.5° | 111.0° |
| C35 | N37 | H39 | 109.4° | 111.0° |
| O33 | C31 | C32 | 123.4° | 120.1° |
| C31 | O33 | C34 | 115.6° | 117.0° |
| C31 | C32 | C27 | 119.9° | 120.0° |
| C31 | C32 | H31 | 120.1° | 120.1° |
| C10 | C9 | N8 | 113.4° | 109.4° |
| C10 | C9 | H6 | 108.5° | 109.5° |
| C10 | C9 | H7 | 108.5° | 109.5° |
| C9 | C10 | H8 | 108.7° | 109.5° |
| C9 | C10 | H9 | 108.6° | 109.5° |
| C19 | C18 | H18 | 109.3° | 109.5° |
| C19 | C18 | H19 | 109.3° | 109.5° |
| C18 | C19 | H20 | 109.3° | 109.5° |
| C18 | C19 | H21 | 109.3° | 109.5° |
| O33 | C34 | C35 | 106.1° | 109.5° |
| O33 | C34 | C36 | 109.0° | 109.5° |
| O33 | C34 | H32 | 112.2° | 109.5° |
| C32 | C27 | C26 | 118.9° | 120.0° |
| C27 | C32 | H31 | 120.1° | 120.0° |
| C27 | C26 | N8 | 113.7° | 109.4° |
| C27 | C26 | H26 | 108.4° | 109.4° |
| C27 | C26 | H27 | 108.4° | 109.4° |
| C9 | N8 | C26 | 114.7° | 111.0° |
| N8 | C9 | H6 | 108.5° | 109.5° |
| N8 | C9 | H7 | 108.5° | 109.5° |
| N8 | C26 | H26 | 108.4° | 109.5° |
| N8 | C26 | H27 | 108.4° | 109.5° |
| C35 | C34 | C36 | 107.4° | 109.4° |
| C35 | C34 | H32 | 111.0° | 109.5° |
| C34 | C35 | H33 | 109.7° | 109.5° |
| C34 | C35 | H34 | 109.7° | 109.4° |
| C36 | C34 | H32 | 110.9° | 109.4° |
| C34 | C36 | H35 | 109.5° | 109.5° |
| C34 | C36 | H36 | 109.5° | 109.4° |
| C34 | C36 | H37 | 109.5° | 109.4° |
| H1 | C6 | H2 | 109.5° | 109.5° |
| H3 | C7 | H4 | 109.5° | 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° | 109.5° |
| H20 | C19 | H21 | 109.5° | 109.4° |
| H26 | C26 | H27 | 109.5° | 109.5° |
| H33 | C35 | H34 | 109.5° | 109.5° |
| H35 | C36 | H36 | 109.4° | 109.5° |
| H35 | C36 | H37 | 109.4° | 109.5° |
| H36 | C36 | H37 | 109.5° | 109.5° |
| H38 | N37 | H39 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F25 | C23 | C22 | C24 | 178.6° | 179.7° |
| F25 | C23 | C22 | C21 | 179.4° | 180.0° |
| F25 | C23 | C24 | C13 | 180.0° | 179.7° |
| F25 | C23 | C22 | H24 | 0.6° | 0.0° |
| F25 | C23 | C24 | H25 | 0.0° | 0.2° |
| O11 | C3 | N4 | N2 | 178.4° | 179.9° |
| O11 | C3 | N2 | C13 | 4.5° | 0.0° |
| O11 | C3 | N4 | C5 | 176.1° | 180.0° |
| O11 | C3 | N2 | C1 | 174.4° | 179.9° |
| C23 | C22 | C21 | H24 | 180.0° | 180.0° |
| C22 | C23 | C24 | C13 | 1.5° | 0.5° |
| C23 | C22 | C21 | C20 | 1.5° | 0.0° |
| C23 | C22 | C21 | H23 | 178.5° | 180.0° |
| C22 | C23 | C24 | H25 | 178.6° | 180.0° |
| C24 | C23 | C22 | C21 | 0.8° | 0.3° |
| C23 | C24 | C13 | H25 | 180.0° | 179.5° |
| C23 | C24 | C13 | C20 | 2.8° | 0.5° |
| C23 | C24 | C13 | N2 | 178.8° | 179.8° |
| C24 | C23 | C22 | H24 | 179.2° | 179.8° |
| C22 | C21 | C20 | H23 | 180.0° | 180.0° |
| C22 | C21 | C20 | C13 | 2.9° | 0.0° |
| C22 | C21 | C20 | H22 | 177.1° | 180.0° |
| C24 | C13 | N2 | C3 | 83.6° | 0.2° |
| C24 | C13 | C20 | C21 | 3.6° | 0.3° |
| C24 | C13 | C20 | N2 | 176.0° | 179.7° |
| C24 | C13 | N2 | C1 | 95.1° | 179.8° |
| C24 | C13 | C20 | H22 | 176.4° | 179.8° |
| N4 | C3 | N2 | C13 | 177.1° | 179.9° |
| N4 | C3 | N2 | C1 | 4.0° | 0.1° |
| C3 | N4 | C5 | C1 | 0.0° | 0.1° |
| C3 | N4 | C5 | N12 | 179.8° | 180.0° |
| C3 | N2 | C13 | C20 | 92.3° | 179.9° |
| C3 | N2 | C13 | C1 | 178.8° | 180.0° |
| N2 | C3 | N4 | C5 | 2.3° | 0.1° |
| C3 | N2 | C1 | C5 | 3.5° | 0.0° |
| C3 | N2 | C1 | C6 | 110.8° | 118.6° |
| C3 | N2 | C1 | C10 | 116.9° | 118.7° |
| C21 | C20 | C13 | H22 | 180.0° | 180.0° |
| C21 | C20 | C13 | N2 | 179.5° | 180.0° |
| C20 | C21 | C22 | H24 | 178.5° | 180.0° |
| C20 | C13 | N2 | C1 | 88.9° | 0.1° |
| C13 | C20 | C21 | H23 | 177.1° | 180.0° |
| C20 | C13 | C24 | H25 | 177.2° | 180.0° |
| C13 | N2 | C1 | C5 | 177.6° | 180.0° |
| C13 | N2 | C1 | C6 | 68.1° | 61.4° |
| C13 | N2 | C1 | C10 | 64.2° | 61.3° |
| N2 | C13 | C20 | H22 | 0.4° | 0.1° |
| N2 | C13 | C24 | H25 | 1.3° | 0.3° |
| N4 | C5 | C1 | N2 | 2.1° | 0.0° |
| N4 | C5 | C1 | N12 | 179.8° | 180.0° |
| N4 | C5 | C1 | C6 | 117.1° | 118.6° |
| N4 | C5 | C1 | C10 | 119.9° | 118.6° |
| N4 | C5 | N12 | C14 | 3.7° | 0.0° |
| N4 | C5 | N12 | H10 | 176.3° | 180.0° |
| N2 | C1 | C5 | C6 | 119.3° | 118.6° |
| N2 | C1 | C5 | C10 | 117.7° | 118.7° |
| N2 | C1 | C5 | N12 | 177.7° | 180.0° |
| N2 | C1 | C6 | C10 | 133.2° | 122.7° |
| N2 | C1 | C6 | C7 | 80.1° | 66.5° |
| N2 | C1 | C10 | C9 | 84.9° | 66.5° |
| N2 | C1 | C6 | H1 | 159.3° | 173.5° |
| N2 | C1 | C6 | H2 | 40.5° | 53.4° |
| N2 | C1 | C10 | H8 | 35.6° | 53.5° |
| N2 | C1 | C10 | H9 | 154.6° | 173.5° |
| C5 | C1 | C6 | C10 | 121.0° | 122.8° |
| C5 | C1 | C6 | C7 | 174.1° | 179.0° |
| C1 | C5 | N12 | C14 | 176.1° | 180.0° |
| C5 | C1 | C10 | C9 | 170.3° | 179.0° |
| C5 | C1 | C6 | H1 | 53.6° | 59.1° |
| C5 | C1 | C6 | H2 | 65.3° | 61.0° |
| C5 | C1 | C10 | H8 | 69.2° | 61.0° |
| C5 | C1 | C10 | H9 | 49.8° | 59.0° |
| C1 | C5 | N12 | H10 | 3.9° | 0.0° |
| C5 | N12 | C14 | C15 | 102.8° | 85.0° |
| N12 | C5 | C1 | C6 | 63.0° | 61.4° |
| N12 | C5 | C1 | C10 | 60.0° | 61.3° |
| C5 | N12 | C14 | H10 | 180.0° | 180.0° |
| C5 | N12 | C14 | C19 | 135.5° | 155.0° |
| C5 | N12 | C14 | H11 | 16.2° | 35.0° |
| C15 | C16 | C17 | H14 | 120.1° | 120.0° |
| C15 | C16 | C17 | H15 | 120.1° | 120.0° |
| C16 | C15 | C14 | H12 | 120.2° | 120.0° |
| C16 | C15 | C14 | H13 | 120.2° | 120.0° |
| C16 | C15 | C14 | N12 | 179.6° | 180.0° |
| C16 | C15 | C14 | C19 | 57.7° | 60.0° |
| C15 | C16 | C17 | C18 | 56.8° | 60.0° |
| C16 | C15 | C14 | H11 | 60.8° | 60.0° |
| C16 | C15 | H12 | H13 | 119.5° | 120.0° |
| C15 | C16 | H14 | H15 | 119.5° | 120.0° |
| C15 | C16 | C17 | H16 | 176.9° | 180.0° |
| C15 | C16 | C17 | H17 | 63.3° | 60.0° |
| C17 | C16 | C15 | C14 | 56.9° | 60.0° |
| C16 | C17 | C18 | H16 | 120.1° | 120.0° |
| C16 | C17 | C18 | H17 | 120.1° | 120.0° |
| C16 | C17 | C18 | C19 | 57.8° | 60.0° |
| C17 | C16 | C15 | H12 | 63.2° | 180.0° |
| C17 | C16 | C15 | H13 | 177.1° | 60.0° |
| C17 | C16 | H14 | H15 | 119.6° | 120.0° |
| C16 | C17 | H16 | H17 | 119.6° | 120.1° |
| C16 | C17 | C18 | H18 | 62.3° | 60.0° |
| C16 | C17 | C18 | H19 | 177.9° | 180.0° |
| C15 | C14 | N12 | C19 | 121.7° | 120.0° |
| C15 | C14 | N12 | H11 | 119.0° | 120.0° |
| C15 | C14 | C19 | H11 | 118.5° | 120.0° |
| C15 | C14 | C19 | C18 | 58.6° | 60.0° |
| C15 | C14 | N12 | H10 | 77.2° | 95.0° |
| C14 | C15 | H12 | H13 | 119.4° | 120.0° |
| C14 | C15 | C16 | H14 | 63.2° | 60.0° |
| C14 | C15 | C16 | H15 | 177.1° | 180.0° |
| C15 | C14 | C19 | H20 | 61.5° | 60.0° |
| C15 | C14 | C19 | H21 | 178.7° | 180.0° |
| C1 | C6 | C7 | H1 | 120.6° | 120.0° |
| C1 | C6 | C7 | H2 | 120.6° | 120.0° |
| C1 | C6 | C7 | N8 | 52.3° | 58.3° |
| C6 | C1 | C10 | C9 | 49.0° | 56.3° |
| C1 | C6 | H1 | H2 | 118.2° | 120.1° |
| C1 | C6 | C7 | H3 | 172.4° | 178.2° |
| C1 | C6 | C7 | H4 | 67.9° | 61.8° |
| C6 | C1 | C10 | H8 | 169.5° | 176.3° |
| C6 | C1 | C10 | H9 | 71.5° | 63.7° |
| C10 | C1 | C6 | C7 | 53.1° | 56.3° |
| C1 | C10 | C9 | H8 | 120.5° | 120.0° |
| C1 | C10 | C9 | H9 | 120.5° | 120.0° |
| C1 | C10 | C9 | N8 | 46.2° | 58.3° |
| C10 | C1 | C6 | H1 | 67.5° | 63.7° |
| C10 | C1 | C6 | H2 | 173.7° | 176.2° |
| C1 | C10 | C9 | H6 | 74.4° | 178.2° |
| C1 | C10 | C9 | H7 | 166.7° | 61.7° |
| C1 | C10 | H8 | H9 | 118.5° | 120.0° |
| C30 | C29 | C28 | H29 | 180.0° | 179.9° |
| C29 | C30 | C31 | H30 | 180.0° | 179.9° |
| C30 | C29 | C28 | C27 | 0.6° | 0.0° |
| C29 | C30 | C31 | O33 | 179.6° | 180.0° |
| C29 | C30 | C31 | C32 | 0.4° | 0.1° |
| C30 | C29 | C28 | H28 | 179.4° | 180.0° |
| C28 | C29 | C30 | C31 | 0.4° | 0.1° |
| C29 | C28 | C27 | H28 | 180.0° | 180.0° |
| C29 | C28 | C27 | C32 | 0.1° | 0.0° |
| C29 | C28 | C27 | C26 | 178.9° | 179.8° |
| C28 | C29 | C30 | H30 | 179.6° | 179.9° |
| C30 | C31 | O33 | C32 | 180.0° | 179.9° |
| C30 | C31 | O33 | C34 | 172.7° | 4.1° |
| C30 | C31 | C32 | C27 | 1.0° | 0.1° |
| C31 | C30 | C29 | H29 | 179.5° | 180.0° |
| C30 | C31 | C32 | H31 | 179.0° | 179.7° |
| C6 | C7 | N8 | H3 | 120.1° | 120.0° |
| C6 | C7 | N8 | H4 | 120.1° | 120.1° |
| C6 | C7 | N8 | C9 | 50.2° | 62.2° |
| C6 | C7 | N8 | C26 | 173.9° | 173.7° |
| C7 | C6 | H1 | H2 | 118.2° | 120.0° |
| C6 | C7 | H3 | H4 | 119.6° | 120.1° |
| N12 | C14 | C19 | H11 | 119.8° | 120.0° |
| N12 | C14 | C19 | C18 | 179.8° | 180.0° |
| N12 | C14 | C15 | H12 | 59.5° | 60.0° |
| N12 | C14 | C15 | H13 | 60.2° | 60.0° |
| N12 | C14 | C19 | H20 | 60.1° | 60.0° |
| N12 | C14 | C19 | H21 | 59.7° | 60.0° |
| C14 | C19 | C18 | C17 | 58.7° | 60.0° |
| C14 | C19 | C18 | H20 | 120.1° | 120.0° |
| C14 | C19 | C18 | H21 | 120.1° | 120.0° |
| C19 | C14 | N12 | H10 | 44.5° | 25.0° |
| C19 | C14 | C15 | H12 | 62.5° | 180.0° |
| C19 | C14 | C15 | H13 | 177.9° | 60.0° |
| C14 | C19 | C18 | H18 | 61.4° | 60.0° |
| C14 | C19 | C18 | H19 | 178.9° | 180.0° |
| C14 | C19 | H20 | H21 | 119.6° | 120.0° |
| C7 | N8 | C9 | C10 | 48.1° | 62.2° |
| C7 | N8 | C26 | C27 | 72.4° | 163.3° |
| C7 | N8 | C9 | C26 | 135.1° | 124.1° |
| N8 | C7 | C6 | H1 | 68.3° | 61.7° |
| N8 | C7 | C6 | H2 | 172.9° | 178.2° |
| N8 | C7 | H3 | H4 | 119.6° | 120.0° |
| C7 | N8 | C9 | H6 | 72.5° | 177.8° |
| C7 | N8 | C9 | H7 | 168.7° | 57.8° |
| C7 | N8 | C26 | H26 | 48.2° | 43.4° |
| C7 | N8 | C26 | H27 | 167.0° | 76.7° |
| C28 | C27 | C32 | C31 | 0.7° | 0.0° |
| C28 | C27 | C32 | C26 | 178.9° | 179.7° |
| C28 | C27 | C26 | N8 | 89.1° | 89.8° |
| C28 | C27 | C26 | H26 | 31.5° | 150.2° |
| C28 | C27 | C26 | H27 | 150.3° | 30.2° |
| C27 | C28 | C29 | H29 | 179.3° | 180.0° |
| C28 | C27 | C32 | H31 | 179.2° | 179.8° |
| C17 | C18 | C19 | H18 | 120.2° | 120.0° |
| C17 | C18 | C19 | H19 | 120.1° | 120.0° |
| C18 | C17 | C16 | H14 | 63.3° | 60.0° |
| C18 | C17 | C16 | H15 | 177.0° | 180.0° |
| C18 | C17 | H16 | H17 | 119.6° | 120.0° |
| C17 | C18 | H18 | H19 | 119.6° | 120.0° |
| C17 | C18 | C19 | H20 | 61.4° | 60.0° |
| C17 | C18 | C19 | H21 | 178.9° | 180.0° |
| N37 | C35 | C34 | O33 | 66.6° | 65.0° |
| N37 | C35 | C34 | H33 | 119.9° | 120.0° |
| N37 | C35 | C34 | H34 | 119.8° | 120.0° |
| N37 | C35 | C34 | C36 | 176.9° | 175.0° |
| N37 | C35 | C34 | H32 | 55.6° | 55.1° |
| N37 | C35 | H33 | H34 | 120.4° | 120.0° |
| C35 | N37 | H38 | H39 | 120.0° | 124.0° |
| O33 | C31 | C32 | C27 | 179.0° | 180.0° |
| C31 | O33 | C34 | C35 | 164.0° | 156.4° |
| C31 | O33 | C34 | C36 | 80.6° | 83.6° |
| O33 | C31 | C30 | H30 | 0.4° | 0.1° |
| O33 | C31 | C32 | H31 | 1.0° | 0.2° |
| C31 | O33 | C34 | H32 | 42.6° | 36.4° |
| C32 | C31 | O33 | C34 | 7.3° | 175.8° |
| C31 | C32 | C27 | H31 | 180.0° | 179.8° |
| C31 | C32 | C27 | C26 | 178.1° | 179.8° |
| C32 | C31 | C30 | H30 | 179.6° | 180.0° |
| C10 | C9 | N8 | H6 | 120.6° | 120.0° |
| C10 | C9 | N8 | H7 | 120.6° | 120.0° |
| C10 | C9 | N8 | C26 | 176.8° | 173.7° |
| C10 | C9 | H6 | H7 | 118.2° | 120.1° |
| C9 | C10 | H8 | H9 | 118.5° | 120.1° |
| C18 | C19 | C14 | H11 | 59.9° | 60.0° |
| C19 | C18 | C17 | H16 | 177.9° | 180.0° |
| C19 | C18 | C17 | H17 | 62.3° | 60.0° |
| C19 | C18 | H18 | H19 | 119.6° | 120.0° |
| C18 | C19 | H20 | H21 | 119.6° | 120.0° |
| O33 | C34 | C35 | C36 | 116.5° | 120.0° |
| O33 | C34 | C35 | H32 | 122.1° | 120.1° |
| O33 | C34 | C36 | H32 | 124.0° | 120.1° |
| O33 | C34 | C35 | H33 | 53.3° | 175.0° |
| O33 | C34 | C35 | H34 | 173.6° | 55.0° |
| O33 | C34 | C36 | H35 | 180.0° | 180.0° |
| O33 | C34 | C36 | H36 | 60.0° | 60.0° |
| O33 | C34 | C36 | H37 | 60.0° | 59.9° |
| C32 | C27 | C26 | N8 | 89.7° | 90.0° |
| C32 | C27 | C26 | H26 | 149.7° | 30.0° |
| C32 | C27 | C26 | H27 | 30.9° | 150.0° |
| C32 | C27 | C28 | H28 | 179.9° | 180.0° |
| C27 | C26 | N8 | C9 | 64.1° | 72.4° |
| C27 | C26 | N8 | H26 | 120.6° | 119.9° |
| C27 | C26 | N8 | H27 | 120.6° | 120.0° |
| C27 | C26 | H26 | H27 | 118.1° | 120.0° |
| C26 | C27 | C28 | H28 | 1.1° | 0.2° |
| C26 | C27 | C32 | H31 | 1.9° | 0.0° |
| C9 | N8 | C7 | H3 | 170.3° | 177.8° |
| C9 | N8 | C7 | H4 | 69.9° | 57.8° |
| N8 | C9 | H6 | H7 | 118.2° | 120.0° |
| N8 | C9 | C10 | H8 | 166.7° | 178.2° |
| N8 | C9 | C10 | H9 | 74.3° | 61.7° |
| C9 | N8 | C26 | H26 | 175.2° | 167.7° |
| C9 | N8 | C26 | H27 | 56.5° | 47.6° |
| C26 | N8 | C7 | H3 | 53.8° | 53.7° |
| C26 | N8 | C7 | H4 | 65.9° | 66.3° |
| C26 | N8 | C9 | H6 | 62.6° | 53.7° |
| C26 | N8 | C9 | H7 | 56.3° | 66.3° |
| N8 | C26 | H26 | H27 | 118.1° | 120.1° |
| C35 | C34 | C36 | H32 | 121.4° | 119.9° |
| C34 | C35 | H33 | H34 | 120.4° | 120.0° |
| C35 | C34 | C36 | H35 | 65.5° | 60.0° |
| C35 | C34 | C36 | H36 | 174.6° | 179.9° |
| C35 | C34 | C36 | H37 | 54.5° | 60.1° |
| C34 | C35 | N37 | H38 | 180.0° | 56.1° |
| C34 | C35 | N37 | H39 | 60.0° | 179.9° |
| C36 | C34 | C35 | H33 | 63.2° | 55.0° |
| C36 | C34 | C35 | H34 | 57.1° | 65.1° |
| C34 | C36 | H35 | H36 | 120.0° | 120.0° |
| C34 | C36 | H35 | H37 | 120.0° | 120.0° |
| C34 | C36 | H36 | H37 | 120.0° | 119.9° |
| H1 | C6 | C7 | H3 | 51.8° | 58.2° |
| H1 | C6 | C7 | H4 | 171.6° | 178.2° |
| H2 | C6 | C7 | H3 | 67.0° | 61.9° |
| H2 | C6 | C7 | H4 | 52.7° | 58.2° |
| H6 | C9 | C10 | H8 | 46.1° | 61.8° |
| H6 | C9 | C10 | H9 | 165.1° | 58.2° |
| H7 | C9 | C10 | H8 | 72.8° | 58.2° |
| H7 | C9 | C10 | H9 | 46.2° | 178.3° |
| H10 | N12 | C14 | H11 | 163.8° | 145.0° |
| H11 | C14 | C15 | H12 | 179.0° | 60.0° |
| H11 | C14 | C15 | H13 | 59.4° | 180.0° |
| H11 | C14 | C19 | H20 | 179.9° | 180.0° |
| H11 | C14 | C19 | H21 | 60.2° | 60.0° |
| H12 | C15 | C16 | H14 | 176.6° | 60.0° |
| H12 | C15 | C16 | H15 | 56.9° | 60.0° |
| H13 | C15 | C16 | H14 | 57.0° | 180.0° |
| H13 | C15 | C16 | H15 | 62.7° | 60.0° |
| H14 | C16 | C17 | H16 | 56.8° | 59.9° |
| H14 | C16 | C17 | H17 | 176.6° | 180.0° |
| H15 | C16 | C17 | H16 | 62.9° | 60.1° |
| H15 | C16 | C17 | H17 | 56.8° | 60.0° |
| H16 | C17 | C18 | H18 | 57.8° | 60.0° |
| H16 | C17 | C18 | H19 | 61.9° | 60.0° |
| H17 | C17 | C18 | H18 | 177.6° | 180.0° |
| H17 | C17 | C18 | H19 | 57.8° | 60.0° |
| H18 | C18 | C19 | H20 | 178.5° | 180.0° |
| H18 | C18 | C19 | H21 | 58.7° | 60.0° |
| H19 | C18 | C19 | H20 | 58.7° | 60.0° |
| H19 | C18 | C19 | H21 | 61.0° | 60.0° |
| H22 | C20 | C21 | H23 | 2.9° | 0.0° |
| H23 | C21 | C22 | H24 | 1.6° | 0.0° |
| H28 | C28 | C29 | H29 | 0.7° | 0.0° |
| H29 | C29 | C30 | H30 | 0.5° | 0.1° |
| H32 | C34 | C35 | H33 | 175.5° | 65.0° |
| H32 | C34 | C35 | H34 | 64.3° | 175.0° |
| H32 | C34 | C36 | H35 | 56.0° | 60.0° |
| H32 | C34 | C36 | H36 | 64.0° | 60.0° |
| H32 | C34 | C36 | H37 | 175.9° | 180.0° |
| H33 | C35 | N37 | H38 | 60.1° | 64.0° |
| H33 | C35 | N37 | H39 | 59.9° | 60.0° |
| H34 | C35 | N37 | H38 | 60.2° | 176.0° |
| H34 | C35 | N37 | H39 | 179.8° | 60.0° |
| H35 | C36 | H36 | H37 | 120.0° | 120.1° |
