P76
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C7 | sing | 1.35Å | 1.41Å | |
| N1 | C2 | sing | 1.46Å | 1.45Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C29 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O4 | C3 | doub | 1.21Å | 1.24Å | |
| C3 | N5 | sing | 1.35Å | 1.36Å | |
| N5 | O6 | sing | 1.42Å | 1.39Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| N9 | C7 | sing | 1.35Å | 1.39Å | |
| C7 | O8 | doub | 1.22Å | 1.26Å | |
| C10 | N9 | sing | 1.47Å | 1.47Å | |
| N9 | C14 | sing | 1.47Å | 1.48Å | |
| C11 | C10 | sing | 1.53Å | 1.50Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C15 | C12 | sing | 1.51Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C20 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.43Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | C18 | sing | 1.43Å | 1.40Å | |
| C19 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | C21 | trip | 1.17Å | 1.18Å | |
| C23 | C22 | sing | 1.43Å | 1.41Å | |
| C28 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.40Å | 1.42Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.41Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | C25 | sing | 1.38Å | 1.42Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | doub | 1.38Å | 1.42Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | C28 | sing | 1.38Å | 1.42Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| C29 | O31 | sing | 1.43Å | 1.44Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| O31 | HO31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | N1 | C2 | 120.1° | 120.0° |
| C7 | N1 | HN1 | 119.9° | 120.0° |
| N1 | C7 | N9 | 114.6° | 120.1° |
| N1 | C7 | O8 | 123.1° | 119.9° |
| C2 | N1 | HN1 | 120.0° | 120.0° |
| N1 | C2 | C29 | 116.7° | 109.5° |
| N1 | C2 | C3 | 104.9° | 109.5° |
| N1 | C2 | H2 | 109.6° | 109.5° |
| C29 | C2 | C3 | 114.3° | 109.5° |
| C29 | C2 | H2 | 99.2° | 109.5° |
| C2 | C29 | C30 | 115.0° | 109.5° |
| C2 | C29 | O31 | 107.2° | 109.4° |
| C2 | C29 | H29 | 107.0° | 109.4° |
| C3 | C2 | H2 | 112.3° | 109.4° |
| C2 | C3 | O4 | 123.2° | 120.0° |
| C2 | C3 | N5 | 111.0° | 120.1° |
| O4 | C3 | N5 | 125.8° | 120.0° |
| C3 | N5 | O6 | 110.1° | 120.0° |
| C3 | N5 | HN5 | 124.9° | 120.0° |
| O6 | N5 | HN5 | 124.9° | 120.0° |
| N5 | O6 | HO6 | 109.5° | 114.0° |
| N9 | C7 | O8 | 122.3° | 120.0° |
| C7 | N9 | C10 | 125.0° | 120.6° |
| C7 | N9 | C14 | 118.2° | 120.7° |
| C10 | N9 | C14 | 116.7° | 118.7° |
| N9 | C10 | C11 | 111.3° | 108.8° |
| N9 | C10 | H10 | 108.9° | 109.6° |
| N9 | C10 | H10A | 108.9° | 109.6° |
| N9 | C14 | C13 | 114.1° | 109.1° |
| N9 | C14 | H14 | 108.0° | 109.6° |
| N9 | C14 | H14A | 108.0° | 109.6° |
| C11 | C10 | H10 | 108.9° | 109.6° |
| C11 | C10 | H10A | 108.9° | 109.7° |
| C10 | C11 | C12 | 109.9° | 109.3° |
| C10 | C11 | H11 | 109.3° | 109.5° |
| C10 | C11 | H11A | 109.3° | 109.5° |
| H10 | C10 | H10A | 110.0° | 109.6° |
| C12 | C11 | H11 | 109.3° | 109.4° |
| C12 | C11 | H11A | 109.3° | 109.5° |
| C11 | C12 | C15 | 112.9° | 109.5° |
| C11 | C12 | C13 | 105.1° | 109.5° |
| C11 | C12 | H12 | 109.8° | 109.5° |
| H11 | C11 | H11A | 109.6° | 109.5° |
| C15 | C12 | C13 | 108.4° | 109.5° |
| C15 | C12 | H12 | 106.6° | 109.4° |
| C12 | C15 | C20 | 121.3° | 119.8° |
| C12 | C15 | C16 | 121.5° | 119.8° |
| C13 | C12 | H12 | 114.2° | 109.4° |
| C12 | C13 | C14 | 114.1° | 109.4° |
| C12 | C13 | H13 | 108.0° | 109.5° |
| C12 | C13 | H13A | 107.9° | 109.4° |
| C14 | C13 | H13 | 107.9° | 109.6° |
| C14 | C13 | H13A | 108.0° | 109.4° |
| C13 | C14 | H14 | 108.0° | 109.5° |
| C13 | C14 | H14A | 108.0° | 109.4° |
| H13 | C13 | H13A | 110.9° | 109.5° |
| H14 | C14 | H14A | 110.9° | 109.7° |
| C20 | C15 | C16 | 117.2° | 120.3° |
| C15 | C20 | C19 | 123.7° | 120.2° |
| C15 | C20 | H20 | 118.1° | 119.9° |
| C15 | C16 | C17 | 120.1° | 120.2° |
| C15 | C16 | H16 | 119.9° | 119.9° |
| C17 | C16 | H16 | 119.9° | 119.9° |
| C16 | C17 | C18 | 118.9° | 119.8° |
| C16 | C17 | H17 | 120.6° | 120.1° |
| C18 | C17 | H17 | 120.5° | 120.1° |
| C17 | C18 | C21 | 124.0° | 120.1° |
| C17 | C18 | C19 | 121.8° | 119.7° |
| C21 | C18 | C19 | 114.2° | 120.2° |
| C18 | C21 | C22 | 168.9° | 179.9° |
| C18 | C19 | C20 | 118.2° | 119.8° |
| C18 | C19 | H19 | 120.9° | 120.0° |
| C20 | C19 | H19 | 120.9° | 120.1° |
| C19 | C20 | H20 | 118.1° | 119.9° |
| C21 | C22 | C23 | 179.5° | 179.9° |
| C22 | C23 | C28 | 121.8° | 120.1° |
| C22 | C23 | C24 | 116.9° | 120.2° |
| C28 | C23 | C24 | 121.4° | 119.7° |
| C23 | C28 | C27 | 118.3° | 119.8° |
| C23 | C28 | H28 | 120.8° | 120.1° |
| C23 | C24 | C25 | 120.1° | 119.9° |
| C23 | C24 | H24 | 120.0° | 120.1° |
| C25 | C24 | H24 | 119.9° | 120.1° |
| C24 | C25 | C26 | 119.1° | 120.1° |
| C24 | C25 | H25 | 120.4° | 119.9° |
| C26 | C25 | H25 | 120.5° | 119.9° |
| C25 | C26 | C27 | 120.4° | 120.3° |
| C25 | C26 | H26 | 119.8° | 119.9° |
| C27 | C26 | H26 | 119.8° | 119.8° |
| C26 | C27 | C28 | 120.7° | 120.1° |
| C26 | C27 | H27 | 119.6° | 119.9° |
| C28 | C27 | H27 | 119.6° | 119.9° |
| C27 | C28 | H28 | 120.8° | 120.0° |
| C30 | C29 | O31 | 108.4° | 109.5° |
| C30 | C29 | H29 | 105.7° | 109.5° |
| C29 | C30 | H30 | 109.5° | 109.5° |
| C29 | C30 | H30A | 109.5° | 109.5° |
| C29 | C30 | H30B | 109.5° | 109.4° |
| O31 | C29 | H29 | 113.7° | 109.5° |
| C29 | O31 | HO31 | 109.5° | 114.0° |
| H30 | C30 | H30A | 109.5° | 109.5° |
| H30 | C30 | H30B | 109.5° | 109.5° |
| H30A | C30 | H30B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | N1 | C2 | HN1 | 180.0° | 179.8° |
| C7 | N1 | C2 | C29 | 74.1° | 85.0° |
| C7 | N1 | C2 | C3 | 158.2° | 155.0° |
| C7 | N1 | C2 | H2 | 37.5° | 35.0° |
| N1 | C7 | N9 | O8 | 179.8° | 180.0° |
| N1 | C7 | N9 | C10 | 1.6° | 5.1° |
| N1 | C7 | N9 | C14 | 179.0° | 175.2° |
| N1 | C2 | C29 | C3 | 122.9° | 120.0° |
| N1 | C2 | C29 | H2 | 117.5° | 120.0° |
| N1 | C2 | C3 | H2 | 118.9° | 120.0° |
| N1 | C2 | C3 | O4 | 69.5° | 25.9° |
| N1 | C2 | C3 | N5 | 111.4° | 154.1° |
| C2 | N1 | C7 | N9 | 179.7° | 175.0° |
| C2 | N1 | C7 | O8 | 0.1° | 5.0° |
| N1 | C2 | C29 | C30 | 55.2° | 174.8° |
| N1 | C2 | C29 | O31 | 175.8° | 54.8° |
| N1 | C2 | C29 | H29 | 61.8° | 65.1° |
| HN1 | N1 | C2 | C29 | 105.9° | 95.2° |
| HN1 | N1 | C2 | C3 | 21.8° | 24.8° |
| HN1 | N1 | C2 | H2 | 142.5° | 144.7° |
| HN1 | N1 | C7 | N9 | 0.3° | 4.8° |
| HN1 | N1 | C7 | O8 | 179.9° | 175.3° |
| C29 | C2 | C3 | H2 | 111.9° | 120.0° |
| C29 | C2 | C3 | O4 | 59.6° | 94.1° |
| C29 | C2 | C3 | N5 | 119.5° | 85.8° |
| C2 | C29 | C30 | O31 | 119.9° | 120.0° |
| C2 | C29 | C30 | H29 | 117.8° | 120.0° |
| C2 | C29 | O31 | H29 | 118.1° | 119.9° |
| C2 | C29 | C30 | H30 | 180.0° | 61.3° |
| C2 | C29 | C30 | H30A | 60.0° | 178.6° |
| C2 | C29 | C30 | H30B | 60.0° | 58.7° |
| C2 | C29 | O31 | HO31 | 180.0° | 60.0° |
| C2 | C3 | O4 | N5 | 179.0° | 180.0° |
| C2 | C3 | N5 | O6 | 178.9° | 175.3° |
| C2 | C3 | N5 | HN5 | 1.1° | 4.7° |
| C3 | C2 | C29 | C30 | 67.7° | 65.2° |
| C3 | C2 | C29 | O31 | 52.9° | 174.9° |
| C3 | C2 | C29 | H29 | 175.2° | 54.9° |
| H2 | C2 | C3 | O4 | 171.6° | 145.9° |
| H2 | C2 | C3 | N5 | 7.6° | 34.1° |
| H2 | C2 | C29 | C30 | 172.7° | 54.8° |
| H2 | C2 | C29 | O31 | 66.7° | 65.2° |
| H2 | C2 | C29 | H29 | 55.6° | 174.8° |
| O4 | C3 | N5 | O6 | 0.2° | 4.7° |
| O4 | C3 | N5 | HN5 | 179.7° | 175.4° |
| C3 | N5 | O6 | HN5 | 180.0° | 180.0° |
| C3 | N5 | O6 | HO6 | 0.1° | 180.0° |
| HN5 | N5 | O6 | HO6 | 179.9° | 0.0° |
| C7 | N9 | C10 | C14 | 177.5° | 179.7° |
| C7 | N9 | C10 | C11 | 135.0° | 126.4° |
| C7 | N9 | C10 | H10 | 105.0° | 113.9° |
| C7 | N9 | C10 | H10A | 15.0° | 6.5° |
| C7 | N9 | C14 | C13 | 144.6° | 126.4° |
| C7 | N9 | C14 | H14 | 24.6° | 6.6° |
| C7 | N9 | C14 | H14A | 95.4° | 113.8° |
| O8 | C7 | N9 | C10 | 178.2° | 174.9° |
| O8 | C7 | N9 | C14 | 0.8° | 4.7° |
| N9 | C10 | C11 | H10 | 120.0° | 119.8° |
| N9 | C10 | C11 | H10A | 120.0° | 119.8° |
| N9 | C10 | H10 | H10A | 119.3° | 120.3° |
| N9 | C10 | C11 | C12 | 62.1° | 54.7° |
| N9 | C10 | C11 | H11 | 177.9° | 174.6° |
| N9 | C10 | C11 | H11A | 57.9° | 65.4° |
| C10 | N9 | C14 | C13 | 37.8° | 53.3° |
| C10 | N9 | C14 | H14 | 157.8° | 173.1° |
| C10 | N9 | C14 | H14A | 82.3° | 66.5° |
| C14 | N9 | C10 | C11 | 47.5° | 53.3° |
| C14 | N9 | C10 | H10 | 72.5° | 66.4° |
| C14 | N9 | C10 | H10A | 167.5° | 173.2° |
| N9 | C14 | C13 | C12 | 42.9° | 54.4° |
| N9 | C14 | C13 | H14 | 120.0° | 119.9° |
| N9 | C14 | C13 | H14A | 120.0° | 119.9° |
| N9 | C14 | C13 | H13 | 163.0° | 174.5° |
| N9 | C14 | C13 | H13A | 77.0° | 65.5° |
| N9 | C14 | H14 | H14A | 118.1° | 120.3° |
| C11 | C10 | H10 | H10A | 119.3° | 120.4° |
| C10 | C11 | C12 | H11 | 120.0° | 119.9° |
| C10 | C11 | C12 | H11A | 120.0° | 120.0° |
| C10 | C11 | H11 | H11A | 119.8° | 120.1° |
| C10 | C11 | C12 | C15 | 177.2° | 178.6° |
| C10 | C11 | C12 | C13 | 64.8° | 61.4° |
| C10 | C11 | C12 | H12 | 58.4° | 58.6° |
| H10 | C10 | C11 | C12 | 57.9° | 65.1° |
| H10 | C10 | C11 | H11 | 62.1° | 54.8° |
| H10 | C10 | C11 | H11A | 177.9° | 174.9° |
| H10A | C10 | C11 | C12 | 177.9° | 174.5° |
| H10A | C10 | C11 | H11 | 57.9° | 65.6° |
| H10A | C10 | C11 | H11A | 62.1° | 54.5° |
| C12 | C11 | H11 | H11A | 119.8° | 120.1° |
| C11 | C12 | C15 | C13 | 116.0° | 120.1° |
| C11 | C12 | C15 | H12 | 120.6° | 120.0° |
| C11 | C12 | C13 | H12 | 120.4° | 120.0° |
| C11 | C12 | C13 | C14 | 55.3° | 61.2° |
| C11 | C12 | C13 | H13 | 175.3° | 178.7° |
| C11 | C12 | C13 | H13A | 64.7° | 58.6° |
| C11 | C12 | C15 | C20 | 5.7° | 59.7° |
| C11 | C12 | C15 | C16 | 174.8° | 120.0° |
| H11 | C11 | C12 | C15 | 57.2° | 58.7° |
| H11 | C11 | C12 | C13 | 175.2° | 178.7° |
| H11 | C11 | C12 | H12 | 61.6° | 61.3° |
| H11A | C11 | C12 | C15 | 62.8° | 61.4° |
| H11A | C11 | C12 | C13 | 55.2° | 58.7° |
| H11A | C11 | C12 | H12 | 178.4° | 178.6° |
| C15 | C12 | C13 | H12 | 118.6° | 119.9° |
| C15 | C12 | C13 | C14 | 176.3° | 178.7° |
| C15 | C12 | C13 | H13 | 63.8° | 58.6° |
| C15 | C12 | C13 | H13A | 56.3° | 61.4° |
| C12 | C15 | C20 | C16 | 179.5° | 179.7° |
| C12 | C15 | C16 | C17 | 179.9° | 180.0° |
| C12 | C15 | C16 | H16 | 0.1° | 0.0° |
| C12 | C15 | C20 | C19 | 179.3° | 179.7° |
| C12 | C15 | C20 | H20 | 0.7° | 0.3° |
| C12 | C13 | C14 | H13 | 120.0° | 120.1° |
| C12 | C13 | C14 | H13A | 120.0° | 119.9° |
| C12 | C13 | H13 | H13A | 118.1° | 120.0° |
| C12 | C13 | C14 | H14 | 163.0° | 174.3° |
| C12 | C13 | C14 | H14A | 77.1° | 65.5° |
| C13 | C12 | C15 | C20 | 121.7° | 60.4° |
| C13 | C12 | C15 | C16 | 58.8° | 119.9° |
| H12 | C12 | C13 | C14 | 65.1° | 58.9° |
| H12 | C12 | C13 | H13 | 54.9° | 61.3° |
| H12 | C12 | C13 | H13A | 174.9° | 178.7° |
| H12 | C12 | C15 | C20 | 114.9° | 179.7° |
| H12 | C12 | C15 | C16 | 64.6° | 0.0° |
| C14 | C13 | H13 | H13A | 118.1° | 120.0° |
| C13 | C14 | H14 | H14A | 118.1° | 120.1° |
| H13 | C13 | C14 | H14 | 77.0° | 65.6° |
| H13 | C13 | C14 | H14A | 42.9° | 54.6° |
| H13A | C13 | C14 | H14 | 43.0° | 54.4° |
| H13A | C13 | C14 | H14A | 162.9° | 174.6° |
| C20 | C15 | C16 | C17 | 0.6° | 0.3° |
| C20 | C15 | C16 | H16 | 179.5° | 179.7° |
| C15 | C20 | C19 | C18 | 1.1° | 0.6° |
| C15 | C20 | C19 | H20 | 180.0° | 179.4° |
| C15 | C20 | C19 | H19 | 178.9° | 179.7° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C15 | C16 | C17 | H17 | 179.9° | 179.9° |
| C16 | C15 | C20 | C19 | 1.2° | 0.6° |
| C16 | C15 | C20 | H20 | 178.8° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C21 | 178.1° | 180.0° |
| C16 | C17 | C18 | C19 | 0.2° | 0.0° |
| H16 | C16 | C17 | C18 | 179.9° | 180.0° |
| H16 | C16 | C17 | H17 | 0.1° | 0.1° |
| C17 | C18 | C21 | C19 | 178.5° | 180.0° |
| C17 | C18 | C19 | C20 | 0.3° | 0.3° |
| C17 | C18 | C19 | H19 | 179.7° | 180.0° |
| C17 | C18 | C21 | C22 | 112.0° | 96.4° |
| H17 | C17 | C18 | C21 | 1.9° | 0.1° |
| H17 | C17 | C18 | C19 | 179.8° | 180.0° |
| C21 | C18 | C19 | C20 | 178.8° | 179.7° |
| C21 | C18 | C19 | H19 | 1.2° | 0.0° |
| C18 | C21 | C22 | C23 | 54.3° | 131.4° |
| C18 | C19 | C20 | H19 | 180.0° | 179.7° |
| C18 | C19 | C20 | H20 | 178.9° | 180.0° |
| C19 | C18 | C21 | C22 | 66.5° | 83.7° |
| H19 | C19 | C20 | H20 | 1.0° | 0.3° |
| C21 | C22 | C23 | C28 | 163.4° | 132.6° |
| C21 | C22 | C23 | C24 | 16.5° | 47.7° |
| C22 | C23 | C28 | C24 | 179.9° | 179.7° |
| C22 | C23 | C24 | C25 | 179.4° | 180.0° |
| C22 | C23 | C24 | H24 | 0.6° | 0.0° |
| C22 | C23 | C28 | C27 | 179.9° | 179.7° |
| C22 | C23 | C28 | H28 | 0.1° | 0.3° |
| C28 | C23 | C24 | C25 | 0.5° | 0.2° |
| C28 | C23 | C24 | H24 | 179.5° | 179.8° |
| C23 | C28 | C27 | C26 | 0.3° | 0.6° |
| C23 | C28 | C27 | H28 | 180.0° | 179.4° |
| C23 | C28 | C27 | H27 | 179.7° | 179.7° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.7° | 0.0° |
| C23 | C24 | C25 | H25 | 179.3° | 180.0° |
| C24 | C23 | C28 | C27 | 0.0° | 0.5° |
| C24 | C23 | C28 | H28 | 180.0° | 180.0° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.4° | 0.0° |
| C24 | C25 | C26 | H26 | 179.6° | 180.0° |
| H24 | C24 | C25 | C26 | 179.3° | 180.0° |
| H24 | C24 | C25 | H25 | 0.7° | 0.0° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.2° | 0.3° |
| C25 | C26 | C27 | H27 | 179.8° | 180.0° |
| H25 | C25 | C26 | C27 | 179.6° | 180.0° |
| H25 | C25 | C26 | H26 | 0.3° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.7° |
| C26 | C27 | C28 | H28 | 179.7° | 180.0° |
| H26 | C26 | C27 | C28 | 179.8° | 179.7° |
| H26 | C26 | C27 | H27 | 0.2° | 0.1° |
| H27 | C27 | C28 | H28 | 0.3° | 0.3° |
| C30 | C29 | O31 | H29 | 117.3° | 120.1° |
| C29 | C30 | H30 | H30A | 120.0° | 120.0° |
| C29 | C30 | H30 | H30B | 120.0° | 119.9° |
| C29 | C30 | H30A | H30B | 120.0° | 119.9° |
| C30 | C29 | O31 | HO31 | 55.3° | 180.0° |
| O31 | C29 | C30 | H30 | 60.0° | 58.7° |
| O31 | C29 | C30 | H30A | 179.9° | 61.4° |
| O31 | C29 | C30 | H30B | 60.0° | 178.7° |
| H29 | C29 | C30 | H30 | 62.2° | 178.7° |
| H29 | C29 | C30 | H30A | 57.8° | 58.6° |
| H29 | C29 | C30 | H30B | 177.8° | 61.3° |
| H29 | C29 | O31 | HO31 | 61.9° | 60.0° |
| H30 | C30 | H30A | H30B | 120.0° | 120.1° |
