KQ7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.47Å | 1.46Å | |
| C1 | C6 | sing | 1.53Å | 1.55Å | |
| N2 | C3 | sing | 1.47Å | 1.47Å | |
| N2 | C7 | sing | 1.39Å | 1.41Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | O5 | sing | 1.43Å | 1.44Å | |
| O5 | C6 | sing | 1.43Å | 1.45Å | |
| C7 | N8 | doub | 1.32Å | 1.35Å | Aromatic |
| C7 | C12 | sing | 1.39Å | 1.42Å | Aromatic |
| N8 | C9 | sing | 1.32Å | 1.36Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.43Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C13 | sing | 1.48Å | 1.53Å | |
| C13 | O14 | doub | 1.21Å | 1.25Å | |
| C13 | N15 | sing | 1.35Å | 1.32Å | |
| N15 | C16 | sing | 1.40Å | 1.42Å | |
| C16 | C17 | doub | 1.39Å | 1.42Å | Aromatic |
| C16 | C21 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.44Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.43Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.43Å | Aromatic |
| C19 | C22 | sing | 1.51Å | 1.52Å | |
| C20 | C21 | doub | 1.39Å | 1.43Å | Aromatic |
| C20 | N23 | sing | 1.40Å | 1.40Å | |
| N23 | C24 | sing | 1.35Å | 1.34Å | |
| C24 | O25 | doub | 1.22Å | 1.22Å | |
| C24 | C26 | sing | 1.48Å | 1.49Å | |
| C26 | C27 | doub | 1.40Å | 1.40Å | Aromatic |
| C26 | C31 | sing | 1.40Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.37Å | 1.42Å | Aromatic |
| C28 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | N30 | sing | 1.33Å | 1.38Å | Aromatic |
| C29 | N32 | sing | 1.38Å | 1.39Å | |
| N30 | C31 | doub | 1.32Å | 1.37Å | Aromatic |
| N32 | C33 | sing | 1.47Å | 1.48Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.55Å | 1.55Å | |
| C35 | N39 | sing | 1.48Å | 1.50Å | |
| C36 | C37 | sing | 1.55Å | 1.54Å | |
| C37 | C38 | sing | 1.54Å | 1.54Å | |
| C38 | N39 | sing | 1.47Å | 1.49Å | |
| N39 | C40 | sing | 1.47Å | 1.50Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N15 | HN15 | sing | 0.97Å | 1.00Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| N23 | HN23 | sing | 0.97Å | 1.00Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| N32 | HN32 | sing | 0.97Å | 1.00Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C40 | H40B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | C6 | 111.1° | 109.2° |
| C1 | N2 | C3 | 114.4° | 110.8° |
| C1 | N2 | C7 | 115.2° | 111.0° |
| N2 | C1 | H1 | 109.0° | 109.5° |
| N2 | C1 | H1A | 108.9° | 109.5° |
| C1 | C6 | O5 | 109.5° | 109.3° |
| C6 | C1 | H1 | 108.9° | 109.5° |
| C6 | C1 | H1A | 108.9° | 109.5° |
| C1 | C6 | H6 | 109.4° | 109.5° |
| C1 | C6 | H6A | 109.4° | 109.5° |
| C3 | N2 | C7 | 115.6° | 111.0° |
| N2 | C3 | C4 | 106.4° | 109.2° |
| N2 | C3 | H3 | 110.5° | 109.5° |
| N2 | C3 | H3A | 110.5° | 109.5° |
| N2 | C7 | N8 | 118.4° | 119.7° |
| N2 | C7 | C12 | 120.6° | 119.6° |
| C3 | C4 | O5 | 111.6° | 109.3° |
| C4 | C3 | H3 | 110.5° | 109.5° |
| C4 | C3 | H3A | 110.5° | 109.5° |
| C3 | C4 | H4 | 108.8° | 109.4° |
| C3 | C4 | H4A | 108.8° | 109.5° |
| C4 | O5 | C6 | 111.5° | 113.7° |
| O5 | C4 | H4 | 108.8° | 109.6° |
| O5 | C4 | H4A | 108.8° | 109.5° |
| O5 | C6 | H6 | 109.5° | 109.5° |
| O5 | C6 | H6A | 109.5° | 109.5° |
| N8 | C7 | C12 | 121.0° | 120.7° |
| C7 | N8 | C9 | 124.8° | 121.9° |
| C7 | C12 | C11 | 115.1° | 119.0° |
| C7 | C12 | H12 | 122.4° | 120.5° |
| N8 | C9 | C10 | 117.6° | 121.0° |
| N8 | C9 | H9 | 121.2° | 119.5° |
| C9 | C10 | C11 | 118.1° | 119.2° |
| C10 | C9 | H9 | 121.2° | 119.5° |
| C9 | C10 | H10 | 121.0° | 120.4° |
| C10 | C11 | C12 | 123.4° | 118.2° |
| C10 | C11 | C13 | 122.2° | 120.9° |
| C11 | C10 | H10 | 121.0° | 120.4° |
| C12 | C11 | C13 | 114.4° | 120.9° |
| C11 | C12 | H12 | 122.5° | 120.5° |
| C11 | C13 | O14 | 119.2° | 120.0° |
| C11 | C13 | N15 | 116.8° | 120.0° |
| O14 | C13 | N15 | 124.0° | 120.0° |
| C13 | N15 | C16 | 127.9° | 120.0° |
| C13 | N15 | HN15 | 116.1° | 120.0° |
| N15 | C16 | C17 | 117.1° | 120.1° |
| N15 | C16 | C21 | 121.4° | 120.0° |
| C16 | N15 | HN15 | 116.0° | 120.0° |
| C17 | C16 | C21 | 121.6° | 119.9° |
| C16 | C17 | C18 | 119.0° | 120.1° |
| C16 | C17 | H17 | 120.5° | 119.9° |
| C16 | C21 | C20 | 119.7° | 119.9° |
| C16 | C21 | H21 | 120.2° | 120.0° |
| C17 | C18 | C19 | 119.7° | 120.2° |
| C18 | C17 | H17 | 120.5° | 120.0° |
| C17 | C18 | H18 | 120.2° | 120.0° |
| C18 | C19 | C20 | 120.4° | 120.0° |
| C18 | C19 | C22 | 118.5° | 120.0° |
| C19 | C18 | H18 | 120.2° | 119.9° |
| C20 | C19 | C22 | 121.0° | 120.0° |
| C19 | C20 | C21 | 119.5° | 119.9° |
| C19 | C20 | N23 | 118.6° | 120.0° |
| C19 | C22 | H22 | 109.5° | 109.4° |
| C19 | C22 | H22A | 109.5° | 109.5° |
| C19 | C22 | H22B | 109.5° | 109.5° |
| C21 | C20 | N23 | 121.7° | 120.0° |
| C20 | C21 | H21 | 120.1° | 120.1° |
| C20 | N23 | C24 | 116.3° | 120.0° |
| C20 | N23 | HN23 | 121.8° | 120.0° |
| N23 | C24 | O25 | 122.7° | 120.0° |
| N23 | C24 | C26 | 118.5° | 120.0° |
| C24 | N23 | HN23 | 121.9° | 120.0° |
| O25 | C24 | C26 | 118.8° | 120.0° |
| C24 | C26 | C27 | 117.9° | 120.4° |
| C24 | C26 | C31 | 118.2° | 120.5° |
| C27 | C26 | C31 | 123.7° | 119.0° |
| C26 | C27 | C28 | 118.3° | 118.5° |
| C26 | C27 | H27 | 120.8° | 120.7° |
| C26 | C31 | N30 | 116.0° | 120.6° |
| C26 | C31 | H31 | 122.0° | 119.7° |
| C27 | C28 | C29 | 117.9° | 119.4° |
| C28 | C27 | H27 | 120.9° | 120.8° |
| C27 | C28 | H28 | 121.1° | 120.3° |
| C28 | C29 | N30 | 120.6° | 120.9° |
| C28 | C29 | N32 | 121.6° | 119.5° |
| C29 | C28 | H28 | 121.0° | 120.3° |
| N30 | C29 | N32 | 117.7° | 119.5° |
| C29 | N30 | C31 | 123.3° | 121.6° |
| C29 | N32 | C33 | 120.0° | 120.0° |
| C29 | N32 | HN32 | 106.1° | 120.1° |
| N30 | C31 | H31 | 122.0° | 119.7° |
| N32 | C33 | C34 | 113.8° | 109.4° |
| C33 | N32 | HN32 | 106.1° | 120.0° |
| N32 | C33 | H33 | 108.1° | 109.5° |
| N32 | C33 | H33A | 108.1° | 109.5° |
| C33 | C34 | C35 | 121.0° | 109.4° |
| C34 | C33 | H33 | 108.1° | 109.5° |
| C34 | C33 | H33A | 108.1° | 109.5° |
| C33 | C34 | H34 | 105.8° | 109.5° |
| C33 | C34 | H34A | 105.8° | 109.5° |
| C34 | C35 | C36 | 112.3° | 110.4° |
| C34 | C35 | N39 | 111.4° | 110.4° |
| C35 | C34 | H34 | 105.8° | 109.4° |
| C35 | C34 | H34A | 105.8° | 109.5° |
| C34 | C35 | H35 | 104.3° | 110.3° |
| C36 | C35 | N39 | 102.7° | 104.8° |
| C35 | C36 | C37 | 107.4° | 101.6° |
| C36 | C35 | H35 | 112.8° | 110.3° |
| C35 | C36 | H36 | 110.2° | 111.0° |
| C35 | C36 | H36A | 110.2° | 111.0° |
| C35 | N39 | C38 | 106.6° | 108.5° |
| C35 | N39 | C40 | 117.1° | 111.0° |
| N39 | C35 | H35 | 113.7° | 110.5° |
| C36 | C37 | C38 | 104.7° | 103.0° |
| C37 | C36 | H36 | 110.1° | 111.0° |
| C37 | C36 | H36A | 110.2° | 111.0° |
| C36 | C37 | H37 | 111.1° | 110.7° |
| C36 | C37 | H37A | 111.1° | 110.7° |
| C37 | C38 | N39 | 106.3° | 107.2° |
| C38 | C37 | H37 | 111.1° | 110.7° |
| C38 | C37 | H37A | 111.1° | 110.7° |
| C37 | C38 | H38 | 110.5° | 109.8° |
| C37 | C38 | H38A | 110.5° | 109.9° |
| C38 | N39 | C40 | 114.8° | 111.0° |
| N39 | C38 | H38 | 110.6° | 109.9° |
| N39 | C38 | H38A | 110.6° | 109.9° |
| N39 | C40 | H40 | 109.5° | 109.5° |
| N39 | C40 | H40A | 109.5° | 109.4° |
| N39 | C40 | H40B | 109.5° | 109.4° |
| H1 | C1 | H1A | 110.0° | 109.5° |
| H3 | C3 | H3A | 108.4° | 109.6° |
| H4 | C4 | H4A | 110.2° | 109.6° |
| H6 | C6 | H6A | 109.5° | 109.5° |
| H22 | C22 | H22A | 109.5° | 109.5° |
| H22 | C22 | H22B | 109.5° | 109.4° |
| H22A | C22 | H22B | 109.5° | 109.5° |
| H33 | C33 | H33A | 110.8° | 109.5° |
| H34 | C34 | H34A | 112.9° | 109.5° |
| H36 | C36 | H36A | 108.8° | 110.9° |
| H37 | C37 | H37A | 107.8° | 110.7° |
| H38 | C38 | H38A | 108.3° | 110.0° |
| H40 | C40 | H40A | 109.5° | 109.5° |
| H40 | C40 | H40B | 109.4° | 109.5° |
| H40A | C40 | H40B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | C6 | H1 | 120.0° | 120.0° |
| N2 | C1 | C6 | H1A | 120.0° | 119.9° |
| C1 | N2 | C3 | C7 | 137.5° | 123.8° |
| C1 | N2 | C3 | C4 | 55.6° | 58.6° |
| N2 | C1 | C6 | O5 | 52.2° | 56.8° |
| C1 | N2 | C7 | N8 | 21.6° | 0.0° |
| C1 | N2 | C7 | C12 | 155.5° | 179.7° |
| N2 | C1 | H1 | H1A | 119.4° | 120.1° |
| C1 | N2 | C3 | H3 | 64.4° | 61.3° |
| C1 | N2 | C3 | H3A | 175.6° | 178.5° |
| N2 | C1 | C6 | H6 | 67.8° | 63.2° |
| N2 | C1 | C6 | H6A | 172.2° | 176.8° |
| C6 | C1 | N2 | C3 | 54.2° | 58.6° |
| C6 | C1 | N2 | C7 | 168.2° | 177.6° |
| C1 | C6 | O5 | C4 | 57.0° | 58.7° |
| C1 | C6 | O5 | H6 | 120.0° | 119.9° |
| C1 | C6 | O5 | H6A | 120.0° | 120.0° |
| C6 | C1 | H1 | H1A | 119.3° | 120.1° |
| C1 | C6 | H6 | H6A | 120.0° | 120.0° |
| N2 | C3 | C4 | H3 | 120.0° | 119.9° |
| N2 | C3 | C4 | H3A | 120.0° | 119.9° |
| N2 | C3 | C4 | O5 | 58.6° | 56.8° |
| C3 | N2 | C7 | N8 | 158.7° | 123.6° |
| C3 | N2 | C7 | C12 | 18.4° | 56.6° |
| C3 | N2 | C1 | H1 | 174.2° | 178.6° |
| C3 | N2 | C1 | H1A | 65.8° | 61.3° |
| N2 | C3 | H3 | H3A | 121.3° | 120.2° |
| N2 | C3 | C4 | H4 | 178.6° | 176.8° |
| N2 | C3 | C4 | H4A | 61.4° | 63.1° |
| C7 | N2 | C3 | C4 | 167.0° | 177.6° |
| N2 | C7 | N8 | C12 | 177.1° | 179.7° |
| N2 | C7 | N8 | C9 | 179.9° | 180.0° |
| N2 | C7 | C12 | C11 | 179.7° | 179.7° |
| C7 | N2 | C1 | H1 | 48.2° | 57.6° |
| C7 | N2 | C1 | H1A | 71.9° | 62.5° |
| C7 | N2 | C3 | H3 | 73.0° | 62.5° |
| C7 | N2 | C3 | H3A | 47.0° | 57.7° |
| N2 | C7 | C12 | H12 | 0.3° | 0.0° |
| C3 | C4 | O5 | H4 | 120.0° | 119.9° |
| C3 | C4 | O5 | H4A | 120.0° | 119.9° |
| C3 | C4 | O5 | C6 | 62.3° | 58.7° |
| C4 | C3 | H3 | H3A | 121.3° | 120.1° |
| C3 | C4 | H4 | H4A | 119.1° | 120.1° |
| O5 | C4 | C3 | H3 | 61.4° | 63.1° |
| O5 | C4 | C3 | H3A | 178.6° | 176.8° |
| O5 | C4 | H4 | H4A | 119.1° | 120.2° |
| C4 | O5 | C6 | H6 | 63.0° | 61.3° |
| C4 | O5 | C6 | H6A | 177.0° | 178.6° |
| O5 | C6 | C1 | H1 | 172.2° | 176.8° |
| O5 | C6 | C1 | H1A | 67.8° | 63.1° |
| C6 | O5 | C4 | H4 | 177.6° | 178.5° |
| C6 | O5 | C4 | H4A | 57.6° | 61.3° |
| O5 | C6 | H6 | H6A | 120.0° | 120.1° |
| C7 | N8 | C9 | C10 | 0.1° | 0.0° |
| N8 | C7 | C12 | C11 | 3.3° | 0.6° |
| C7 | N8 | C9 | H9 | 179.9° | 179.9° |
| N8 | C7 | C12 | H12 | 176.7° | 179.7° |
| C12 | C7 | N8 | C9 | 3.1° | 0.3° |
| C7 | C12 | C11 | C10 | 0.9° | 0.5° |
| C7 | C12 | C11 | H12 | 180.0° | 179.7° |
| C7 | C12 | C11 | C13 | 178.8° | 179.7° |
| N8 | C9 | C10 | H9 | 180.0° | 179.9° |
| N8 | C9 | C10 | C11 | 2.3° | 0.1° |
| N8 | C9 | C10 | H10 | 177.7° | 179.9° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 1.9° | 0.2° |
| C9 | C10 | C11 | C13 | 178.5° | 180.0° |
| C10 | C11 | C12 | C13 | 179.6° | 179.8° |
| C10 | C11 | C13 | O14 | 153.2° | 180.0° |
| C10 | C11 | C13 | N15 | 27.2° | 0.0° |
| C11 | C10 | C9 | H9 | 177.7° | 180.0° |
| C10 | C11 | C12 | H12 | 179.1° | 179.8° |
| C12 | C11 | C13 | O14 | 27.1° | 0.3° |
| C12 | C11 | C13 | N15 | 152.4° | 179.7° |
| C12 | C11 | C10 | H10 | 178.1° | 179.8° |
| C11 | C13 | O14 | N15 | 179.6° | 180.0° |
| C11 | C13 | N15 | C16 | 172.8° | 175.0° |
| C13 | C11 | C10 | H10 | 1.5° | 0.0° |
| C13 | C11 | C12 | H12 | 1.2° | 0.0° |
| C11 | C13 | N15 | HN15 | 7.2° | 5.1° |
| O14 | C13 | N15 | C16 | 6.8° | 5.0° |
| O14 | C13 | N15 | HN15 | 173.2° | 174.9° |
| C13 | N15 | C16 | HN15 | 180.0° | 179.9° |
| C13 | N15 | C16 | C17 | 154.1° | 36.1° |
| C13 | N15 | C16 | C21 | 24.6° | 144.2° |
| N15 | C16 | C17 | C21 | 178.8° | 179.8° |
| N15 | C16 | C17 | C18 | 178.6° | 180.0° |
| N15 | C16 | C21 | C20 | 179.9° | 179.8° |
| N15 | C16 | C17 | H17 | 1.4° | 0.0° |
| N15 | C16 | C21 | H21 | 0.1° | 0.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 4.2° | 0.0° |
| C17 | C16 | C21 | C20 | 1.4° | 0.5° |
| C17 | C16 | N15 | HN15 | 25.9° | 143.8° |
| C16 | C17 | C18 | H18 | 175.8° | 179.9° |
| C17 | C16 | C21 | H21 | 178.6° | 179.8° |
| C21 | C16 | C17 | C18 | 2.7° | 0.3° |
| C16 | C21 | C20 | C19 | 1.6° | 0.5° |
| C16 | C21 | C20 | H21 | 180.0° | 179.8° |
| C16 | C21 | C20 | N23 | 178.1° | 179.7° |
| C21 | C16 | N15 | HN15 | 155.4° | 35.9° |
| C21 | C16 | C17 | H17 | 177.4° | 179.8° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 4.5° | 0.0° |
| C17 | C18 | C19 | C22 | 178.9° | 180.0° |
| C18 | C19 | C20 | C22 | 176.5° | 180.0° |
| C18 | C19 | C20 | C21 | 3.2° | 0.2° |
| C18 | C19 | C20 | N23 | 179.8° | 180.0° |
| C19 | C18 | C17 | H17 | 175.8° | 180.0° |
| C18 | C19 | C22 | H22 | 91.7° | 90.0° |
| C18 | C19 | C22 | H22A | 148.3° | 150.0° |
| C18 | C19 | C22 | H22B | 28.4° | 30.0° |
| C19 | C20 | C21 | N23 | 176.5° | 179.8° |
| C19 | C20 | N23 | C24 | 100.5° | 148.5° |
| C20 | C19 | C18 | H18 | 175.4° | 180.0° |
| C19 | C20 | C21 | H21 | 178.4° | 179.8° |
| C20 | C19 | C22 | H22 | 91.8° | 90.1° |
| C20 | C19 | C22 | H22A | 28.2° | 30.0° |
| C20 | C19 | C22 | H22B | 148.2° | 150.0° |
| C19 | C20 | N23 | HN23 | 79.5° | 31.5° |
| C22 | C19 | C20 | C21 | 179.7° | 179.8° |
| C22 | C19 | C20 | N23 | 3.7° | 0.0° |
| C22 | C19 | C18 | H18 | 1.1° | 0.0° |
| C19 | C22 | H22 | H22A | 120.0° | 120.0° |
| C19 | C22 | H22 | H22B | 120.0° | 120.0° |
| C19 | C22 | H22A | H22B | 120.0° | 120.0° |
| C21 | C20 | N23 | C24 | 82.9° | 31.7° |
| C21 | C20 | N23 | HN23 | 97.1° | 148.3° |
| C20 | N23 | C24 | HN23 | 180.0° | 180.0° |
| C20 | N23 | C24 | O25 | 6.6° | 5.0° |
| C20 | N23 | C24 | C26 | 176.2° | 175.1° |
| N23 | C20 | C21 | H21 | 1.9° | 0.0° |
| N23 | C24 | O25 | C26 | 177.2° | 179.9° |
| N23 | C24 | C26 | C27 | 163.4° | 180.0° |
| N23 | C24 | C26 | C31 | 13.0° | 0.4° |
| O25 | C24 | C26 | C27 | 19.3° | 0.1° |
| O25 | C24 | C26 | C31 | 164.3° | 179.7° |
| O25 | C24 | N23 | HN23 | 173.4° | 175.0° |
| C24 | C26 | C27 | C31 | 176.2° | 179.7° |
| C24 | C26 | C27 | C28 | 179.5° | 179.9° |
| C24 | C26 | C31 | N30 | 179.6° | 179.8° |
| C26 | C24 | N23 | HN23 | 3.8° | 4.9° |
| C24 | C26 | C27 | H27 | 0.5° | 0.0° |
| C24 | C26 | C31 | H31 | 0.4° | 0.1° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.4° | 0.0° |
| C27 | C26 | C31 | N30 | 3.4° | 0.6° |
| C26 | C27 | C28 | H28 | 179.6° | 180.0° |
| C27 | C26 | C31 | H31 | 176.6° | 179.7° |
| C31 | C26 | C27 | C28 | 3.3° | 0.3° |
| C26 | C31 | N30 | C29 | 0.7° | 0.6° |
| C26 | C31 | N30 | H31 | 180.0° | 179.7° |
| C31 | C26 | C27 | H27 | 176.7° | 179.7° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | N30 | 2.2° | 0.0° |
| C27 | C28 | C29 | N32 | 179.6° | 180.0° |
| C28 | C29 | N30 | N32 | 177.5° | 180.0° |
| C28 | C29 | N30 | C31 | 2.1° | 0.3° |
| C28 | C29 | N32 | C33 | 0.6° | 0.0° |
| C29 | C28 | C27 | H27 | 179.6° | 180.0° |
| C28 | C29 | N32 | HN32 | 120.6° | 180.0° |
| N30 | C29 | N32 | C33 | 176.9° | 180.0° |
| N30 | C29 | C28 | H28 | 177.8° | 180.0° |
| C29 | N30 | C31 | H31 | 179.3° | 179.7° |
| N30 | C29 | N32 | HN32 | 56.9° | 0.0° |
| N32 | C29 | N30 | C31 | 179.6° | 179.7° |
| C29 | N32 | C33 | HN32 | 120.0° | 180.0° |
| C29 | N32 | C33 | C34 | 121.6° | 180.0° |
| N32 | C29 | C28 | H28 | 0.4° | 0.0° |
| C29 | N32 | C33 | H33 | 1.6° | 60.0° |
| C29 | N32 | C33 | H33A | 118.4° | 60.0° |
| N32 | C33 | C34 | H33 | 120.0° | 120.0° |
| N32 | C33 | C34 | H33A | 120.0° | 120.0° |
| N32 | C33 | C34 | C35 | 66.7° | 174.1° |
| N32 | C33 | H33 | H33A | 118.3° | 120.0° |
| N32 | C33 | C34 | H34 | 173.3° | 66.0° |
| N32 | C33 | C34 | H34A | 53.3° | 54.1° |
| C33 | C34 | C35 | H34 | 120.0° | 119.9° |
| C33 | C34 | C35 | H34A | 120.0° | 120.0° |
| C33 | C34 | C35 | C36 | 62.0° | 174.9° |
| C33 | C34 | C35 | N39 | 176.6° | 69.7° |
| C34 | C33 | N32 | HN32 | 118.4° | 0.0° |
| C34 | C33 | H33 | H33A | 118.2° | 120.0° |
| C33 | C34 | H34 | H34A | 115.2° | 120.1° |
| C33 | C34 | C35 | H35 | 60.4° | 52.7° |
| C34 | C35 | C36 | N39 | 119.8° | 118.8° |
| C34 | C35 | C36 | H35 | 117.4° | 122.2° |
| C34 | C35 | N39 | H35 | 117.4° | 122.3° |
| C34 | C35 | C36 | C37 | 144.5° | 155.9° |
| C34 | C35 | N39 | C38 | 155.6° | 142.9° |
| C34 | C35 | N39 | C40 | 74.2° | 94.8° |
| C35 | C34 | C33 | H33 | 53.3° | 54.1° |
| C35 | C34 | C33 | H33A | 173.3° | 66.0° |
| C35 | C34 | H34 | H34A | 115.3° | 120.0° |
| C34 | C35 | C36 | H36 | 24.6° | 37.8° |
| C34 | C35 | C36 | H36A | 95.5° | 86.0° |
| C36 | C35 | N39 | H35 | 122.1° | 118.9° |
| C35 | C36 | C37 | H36 | 120.0° | 118.1° |
| C35 | C36 | C37 | H36A | 120.0° | 118.1° |
| C35 | C36 | C37 | C38 | 5.7° | 35.6° |
| C36 | C35 | N39 | C38 | 35.2° | 24.1° |
| C36 | C35 | N39 | C40 | 165.3° | 146.4° |
| C36 | C35 | C34 | H34 | 177.9° | 65.2° |
| C36 | C35 | C34 | H34A | 58.0° | 54.8° |
| C35 | C36 | H36 | H36A | 120.8° | 123.9° |
| C35 | C36 | C37 | H37 | 125.7° | 154.1° |
| C35 | C36 | C37 | H37A | 114.3° | 82.7° |
| N39 | C35 | C36 | C37 | 24.7° | 37.1° |
| C35 | N39 | C38 | C37 | 32.6° | 1.0° |
| C35 | N39 | C38 | C40 | 131.5° | 122.2° |
| N39 | C35 | C34 | H34 | 63.3° | 50.2° |
| N39 | C35 | C34 | H34A | 56.7° | 170.2° |
| N39 | C35 | C36 | H36 | 95.3° | 81.0° |
| N39 | C35 | C36 | H36A | 144.7° | 155.2° |
| C35 | N39 | C38 | H38 | 152.7° | 120.4° |
| C35 | N39 | C38 | H38A | 87.4° | 118.4° |
| C35 | N39 | C40 | H40 | 180.0° | 66.5° |
| C35 | N39 | C40 | H40A | 60.0° | 173.5° |
| C35 | N39 | C40 | H40B | 60.0° | 53.5° |
| C36 | C37 | C38 | H37 | 120.0° | 118.4° |
| C36 | C37 | C38 | H37A | 120.0° | 118.4° |
| C36 | C37 | C38 | N39 | 16.0° | 22.3° |
| C37 | C36 | C35 | H35 | 98.0° | 81.9° |
| C37 | C36 | H36 | H36A | 120.8° | 123.9° |
| C36 | C37 | H37 | H37A | 121.9° | 123.2° |
| C36 | C37 | C38 | H38 | 136.0° | 97.1° |
| C36 | C37 | C38 | H38A | 104.0° | 141.7° |
| C37 | C38 | N39 | H38 | 120.0° | 119.4° |
| C37 | C38 | N39 | H38A | 120.0° | 119.4° |
| C37 | C38 | N39 | C40 | 164.1° | 123.3° |
| C38 | C37 | C36 | H36 | 114.3° | 82.5° |
| C38 | C37 | C36 | H36A | 125.7° | 153.7° |
| C38 | C37 | H37 | H37A | 121.9° | 123.2° |
| C37 | C38 | H38 | H38A | 121.3° | 121.1° |
| C38 | N39 | C35 | H35 | 86.9° | 94.8° |
| N39 | C38 | C37 | H37 | 104.0° | 140.7° |
| N39 | C38 | C37 | H37A | 136.0° | 96.1° |
| N39 | C38 | H38 | H38A | 121.3° | 121.2° |
| C38 | N39 | C40 | H40 | 53.8° | 172.7° |
| C38 | N39 | C40 | H40A | 66.2° | 52.7° |
| C38 | N39 | C40 | H40B | 173.8° | 67.3° |
| C40 | N39 | C35 | H35 | 43.2° | 27.5° |
| C40 | N39 | C38 | H38 | 75.9° | 117.4° |
| C40 | N39 | C38 | H38A | 44.1° | 3.9° |
| N39 | C40 | H40 | H40A | 120.0° | 120.0° |
| N39 | C40 | H40 | H40B | 120.0° | 120.0° |
| N39 | C40 | H40A | H40B | 120.0° | 120.0° |
| H1 | C1 | C6 | H6 | 52.2° | 56.8° |
| H1 | C1 | C6 | H6A | 67.8° | 63.2° |
| H1A | C1 | C6 | H6 | 172.2° | 176.9° |
| H1A | C1 | C6 | H6A | 52.2° | 56.9° |
| H3 | C3 | C4 | H4 | 58.6° | 56.9° |
| H3 | C3 | C4 | H4A | 178.6° | 177.0° |
| H3A | C3 | C4 | H4 | 61.4° | 63.3° |
| H3A | C3 | C4 | H4A | 58.6° | 56.8° |
| H9 | C9 | C10 | H10 | 2.3° | 0.0° |
| H17 | C17 | C18 | H18 | 4.2° | 0.0° |
| H22 | C22 | H22A | H22B | 120.0° | 120.0° |
| H27 | C27 | C28 | H28 | 0.4° | 0.1° |
| HN32 | N32 | C33 | H33 | 121.6° | 120.0° |
| HN32 | N32 | C33 | H33A | 1.6° | 119.9° |
| H33 | C33 | C34 | H34 | 66.7° | 174.0° |
| H33 | C33 | C34 | H34A | 173.3° | 65.9° |
| H33A | C33 | C34 | H34 | 53.2° | 54.0° |
| H33A | C33 | C34 | H34A | 66.7° | 174.0° |
| H34 | C34 | C35 | H35 | 59.7° | 172.6° |
| H34A | C34 | C35 | H35 | 179.6° | 67.3° |
| H35 | C35 | C36 | H36 | 142.0° | 160.0° |
| H35 | C35 | C36 | H36A | 22.0° | 36.2° |
| H36 | C36 | C37 | H37 | 5.7° | 36.0° |
| H36 | C36 | C37 | H37A | 125.7° | 159.2° |
| H36A | C36 | C37 | H37 | 114.3° | 87.8° |
| H36A | C36 | C37 | H37A | 5.7° | 35.4° |
| H37 | C37 | C38 | H38 | 16.0° | 21.3° |
| H37 | C37 | C38 | H38A | 135.9° | 99.9° |
| H37A | C37 | C38 | H38 | 104.0° | 144.5° |
| H37A | C37 | C38 | H38A | 16.0° | 23.3° |
| H40 | C40 | H40A | H40B | 120.0° | 120.0° |
