A1ERT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | doub | 1.22Å | 1.22Å | |
| C2 | C3 | sing | 1.42Å | 1.47Å | |
| C3 | O4 | sing | 1.36Å | 1.37Å | |
| O4 | C5 | sing | 1.43Å | 1.45Å | |
| C3 | C6 | doub | 1.36Å | 1.36Å | |
| C6 | C7 | sing | 1.47Å | 1.47Å | |
| C7 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | O11 | sing | 1.36Å | 1.37Å | |
| O11 | C12 | sing | 1.43Å | 1.43Å | |
| C10 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | O15 | sing | 1.34Å | 1.37Å | |
| C2 | C16 | sing | 1.47Å | 1.46Å | |
| C16 | C17 | doub | 1.41Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | O20 | sing | 1.36Å | 1.37Å | |
| O20 | C21 | sing | 1.43Å | 1.47Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | C23 | sing | 1.53Å | 1.52Å | |
| C21 | C24 | sing | 1.51Å | 1.50Å | |
| C24 | C25 | doub | 1.33Å | 1.32Å | |
| C19 | C26 | sing | 1.41Å | 1.41Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | O28 | sing | 1.36Å | 1.38Å | |
| O28 | C29 | sing | 1.43Å | 1.44Å | |
| C29 | C30 | sing | 1.51Å | 1.50Å | |
| C30 | C31 | doub | 1.39Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | N33 | doub | 1.32Å | 1.34Å | Aromatic |
| N33 | C34 | sing | 1.32Å | 1.34Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | O15 | sing | 1.35Å | 1.38Å | |
| C27 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| C26 | C25 | sing | 1.48Å | 1.45Å | |
| C35 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C5 | H5C | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H12C | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H22C | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | H23C | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | C3 | 122.1° | 121.3° |
| O1 | C2 | C16 | 122.6° | 121.3° |
| C2 | C3 | O4 | 117.6° | 120.3° |
| C2 | C3 | C6 | 121.9° | 119.4° |
| C3 | C2 | C16 | 115.3° | 117.4° |
| C3 | O4 | C5 | 118.4° | 117.0° |
| O4 | C3 | C6 | 120.4° | 120.3° |
| O4 | C5 | H5A | 109.5° | 109.4° |
| O4 | C5 | H5C | 109.5° | 109.5° |
| O4 | C5 | H5B | 109.5° | 109.5° |
| C3 | C6 | C7 | 129.5° | 118.7° |
| C3 | C6 | O15 | 120.5° | 122.4° |
| C6 | C7 | C8 | 120.9° | 120.0° |
| C7 | C6 | O15 | 109.1° | 118.8° |
| C6 | C7 | C14 | 120.2° | 120.2° |
| C7 | C8 | C9 | 120.9° | 119.9° |
| C8 | C7 | C14 | 118.5° | 119.8° |
| C7 | C8 | H8 | 119.6° | 120.1° |
| C8 | C9 | C10 | 119.8° | 120.1° |
| C9 | C8 | H8 | 119.6° | 120.0° |
| C8 | C9 | H9 | 120.1° | 120.0° |
| C9 | C10 | O11 | 121.9° | 119.9° |
| C9 | C10 | C13 | 120.1° | 120.2° |
| C10 | C9 | H9 | 120.1° | 119.9° |
| C10 | O11 | C12 | 117.7° | 117.0° |
| O11 | C10 | C13 | 117.9° | 119.9° |
| O11 | C12 | H12C | 109.5° | 109.5° |
| O11 | C12 | H12B | 109.5° | 109.4° |
| O11 | C12 | H12A | 109.5° | 109.5° |
| C10 | C13 | C14 | 119.9° | 120.1° |
| C10 | C13 | H13 | 120.1° | 120.0° |
| C13 | C14 | C7 | 120.8° | 119.9° |
| C14 | C13 | H13 | 120.1° | 120.0° |
| C13 | C14 | H14 | 119.6° | 120.0° |
| C6 | O15 | C17 | 121.4° | 122.4° |
| C2 | C16 | C17 | 119.7° | 118.6° |
| C2 | C16 | C27 | 123.0° | 121.0° |
| C16 | C17 | C18 | 122.8° | 119.8° |
| C16 | C17 | O15 | 121.1° | 119.7° |
| C17 | C16 | C27 | 117.1° | 120.4° |
| C17 | C18 | C19 | 118.3° | 120.1° |
| C18 | C17 | O15 | 115.9° | 120.4° |
| C17 | C18 | H18 | 120.8° | 120.0° |
| C18 | C19 | O20 | 117.0° | 121.0° |
| C18 | C19 | C26 | 122.2° | 120.4° |
| C19 | C18 | H18 | 120.9° | 120.0° |
| C19 | O20 | C21 | 118.2° | 117.1° |
| O20 | C19 | C26 | 120.7° | 118.6° |
| O20 | C21 | C22 | 106.7° | 109.3° |
| O20 | C21 | C23 | 105.6° | 109.2° |
| O20 | C21 | C24 | 110.3° | 110.6° |
| C22 | C21 | C23 | 111.7° | 109.2° |
| C22 | C21 | C24 | 111.0° | 109.3° |
| C21 | C22 | H22C | 109.5° | 109.5° |
| C21 | C22 | H22B | 109.5° | 109.5° |
| C21 | C22 | H22A | 109.5° | 109.5° |
| C23 | C21 | C24 | 111.2° | 109.2° |
| C21 | C23 | H23C | 109.5° | 109.5° |
| C21 | C23 | H23A | 109.5° | 109.5° |
| C21 | C23 | H23B | 109.4° | 109.5° |
| C21 | C24 | C25 | 120.9° | 120.0° |
| C21 | C24 | H24 | 119.6° | 120.0° |
| C24 | C25 | C26 | 119.8° | 118.0° |
| C25 | C24 | H24 | 119.5° | 120.0° |
| C24 | C25 | H25 | 120.1° | 120.9° |
| C19 | C26 | C27 | 117.7° | 120.3° |
| C19 | C26 | C25 | 118.4° | 118.5° |
| C26 | C27 | O28 | 118.5° | 120.5° |
| C26 | C27 | C16 | 122.0° | 119.1° |
| C27 | C26 | C25 | 123.9° | 121.3° |
| C27 | O28 | C29 | 115.6° | 117.0° |
| O28 | C27 | C16 | 119.5° | 120.4° |
| O28 | C29 | C30 | 110.2° | 109.4° |
| O28 | C29 | H29A | 109.3° | 109.5° |
| O28 | C29 | H29B | 109.3° | 109.5° |
| C29 | C30 | C31 | 121.3° | 120.8° |
| C29 | C30 | C35 | 120.9° | 120.8° |
| C30 | C29 | H29A | 109.3° | 109.4° |
| C30 | C29 | H29B | 109.3° | 109.5° |
| C30 | C31 | C32 | 119.2° | 119.2° |
| C31 | C30 | C35 | 117.7° | 118.4° |
| C30 | C31 | H31 | 120.4° | 120.4° |
| C31 | C32 | N33 | 123.6° | 120.8° |
| C32 | C31 | H31 | 120.4° | 120.4° |
| C31 | C32 | H32 | 118.2° | 119.6° |
| C32 | N33 | C34 | 116.7° | 121.7° |
| N33 | C32 | H32 | 118.2° | 119.6° |
| N33 | C34 | C35 | 123.5° | 120.8° |
| N33 | C34 | H34 | 118.2° | 119.6° |
| C34 | C35 | C30 | 119.3° | 119.2° |
| C35 | C34 | H34 | 118.2° | 119.6° |
| C34 | C35 | H35 | 120.4° | 120.5° |
| C7 | C14 | H14 | 119.6° | 120.0° |
| C26 | C25 | H25 | 120.1° | 121.0° |
| C30 | C35 | H35 | 120.4° | 120.4° |
| H5A | C5 | H5C | 109.5° | 109.4° |
| H5A | C5 | H5B | 109.5° | 109.5° |
| H5C | C5 | H5B | 109.4° | 109.5° |
| H12C | C12 | H12B | 109.5° | 109.5° |
| H12C | C12 | H12A | 109.5° | 109.5° |
| H12B | C12 | H12A | 109.5° | 109.4° |
| H22C | C22 | H22B | 109.4° | 109.5° |
| H22C | C22 | H22A | 109.4° | 109.4° |
| H22B | C22 | H22A | 109.5° | 109.4° |
| H23C | C23 | H23A | 109.5° | 109.5° |
| H23C | C23 | H23B | 109.5° | 109.5° |
| H23A | C23 | H23B | 109.5° | 109.5° |
| H29A | C29 | H29B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C3 | C16 | 179.7° | 180.0° |
| O1 | C2 | C3 | O4 | 0.3° | 0.0° |
| O1 | C2 | C3 | C6 | 179.6° | 180.0° |
| O1 | C2 | C16 | C17 | 178.4° | 179.8° |
| O1 | C2 | C16 | C27 | 7.2° | 0.0° |
| C2 | C3 | O4 | C6 | 179.9° | 180.0° |
| C2 | C3 | O4 | C5 | 60.3° | 65.9° |
| C2 | C3 | C6 | C7 | 164.1° | 179.9° |
| C2 | C3 | C6 | O15 | 3.4° | 0.3° |
| C3 | C2 | C16 | C17 | 1.2° | 0.2° |
| C3 | C2 | C16 | C27 | 173.2° | 180.0° |
| O4 | C3 | C6 | C7 | 15.7° | 0.1° |
| O4 | C3 | C6 | O15 | 176.8° | 179.7° |
| O4 | C3 | C2 | C16 | 179.4° | 180.0° |
| C3 | O4 | C5 | H5A | 180.0° | 54.5° |
| C3 | O4 | C5 | H5C | 60.0° | 174.4° |
| C3 | O4 | C5 | H5B | 60.0° | 65.5° |
| C5 | O4 | C3 | C6 | 119.6° | 114.1° |
| O4 | C5 | H5A | H5C | 120.0° | 120.0° |
| O4 | C5 | H5A | H5B | 120.0° | 120.0° |
| O4 | C5 | H5C | H5B | 120.0° | 120.1° |
| C3 | C6 | C7 | O15 | 168.6° | 179.7° |
| C3 | C6 | C7 | C8 | 20.4° | 132.5° |
| C6 | C3 | C2 | C16 | 0.7° | 0.0° |
| C3 | C6 | C7 | C14 | 166.5° | 47.8° |
| C3 | C6 | O15 | C17 | 4.0° | 0.4° |
| C6 | C7 | C8 | C14 | 173.2° | 179.7° |
| C6 | C7 | C8 | C9 | 172.9° | 180.0° |
| C6 | C7 | C14 | C13 | 172.9° | 179.7° |
| C7 | C6 | O15 | C17 | 165.8° | 179.9° |
| C6 | C7 | C8 | H8 | 7.1° | 0.0° |
| C6 | C7 | C14 | H14 | 7.1° | 0.4° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C8 | C7 | C14 | C13 | 0.4° | 0.6° |
| C8 | C7 | C6 | O15 | 148.2° | 47.8° |
| C7 | C8 | C9 | H9 | 179.9° | 180.0° |
| C8 | C7 | C14 | H14 | 179.6° | 179.9° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | O11 | 175.5° | 180.0° |
| C8 | C9 | C10 | C13 | 0.2° | 0.0° |
| C9 | C8 | C7 | C14 | 0.3° | 0.3° |
| C9 | C10 | O11 | C13 | 175.8° | 179.9° |
| C9 | C10 | O11 | C12 | 5.0° | 180.0° |
| C9 | C10 | C13 | C14 | 0.1° | 0.4° |
| C10 | C9 | C8 | H8 | 180.0° | 180.0° |
| C9 | C10 | C13 | H13 | 179.8° | 179.9° |
| O11 | C10 | C13 | C14 | 175.7° | 179.7° |
| O11 | C10 | C9 | H9 | 4.5° | 0.0° |
| C10 | O11 | C12 | H12C | 180.0° | 60.0° |
| C10 | O11 | C12 | H12B | 60.0° | 180.0° |
| C10 | O11 | C12 | H12A | 60.0° | 60.0° |
| O11 | C10 | C13 | H13 | 4.3° | 0.0° |
| C12 | O11 | C10 | C13 | 170.8° | 0.0° |
| O11 | C12 | H12C | H12B | 120.0° | 120.0° |
| O11 | C12 | H12C | H12A | 120.0° | 120.0° |
| O11 | C12 | H12B | H12A | 120.0° | 120.0° |
| C10 | C13 | C14 | H13 | 180.0° | 179.7° |
| C10 | C13 | C14 | C7 | 0.1° | 0.6° |
| C13 | C10 | C9 | H9 | 179.8° | 180.0° |
| C10 | C13 | C14 | H14 | 179.9° | 180.0° |
| C13 | C14 | C7 | H14 | 180.0° | 179.3° |
| C6 | O15 | C17 | C16 | 2.0° | 0.2° |
| C6 | O15 | C17 | C18 | 173.4° | 179.6° |
| O15 | C6 | C7 | C14 | 24.9° | 131.8° |
| C2 | C16 | C17 | C27 | 174.7° | 179.8° |
| C2 | C16 | C17 | C18 | 175.7° | 179.9° |
| C2 | C16 | C27 | C26 | 175.6° | 179.7° |
| C2 | C16 | C27 | O28 | 0.9° | 0.2° |
| C2 | C16 | C17 | O15 | 0.7° | 0.1° |
| C16 | C17 | C18 | O15 | 175.3° | 179.8° |
| C16 | C17 | C18 | C19 | 0.4° | 0.0° |
| C17 | C16 | C27 | C26 | 1.1° | 0.5° |
| C17 | C16 | C27 | O28 | 175.5° | 180.0° |
| C16 | C17 | C18 | H18 | 179.6° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | O20 | 178.2° | 180.0° |
| C17 | C18 | C19 | C26 | 0.0° | 0.0° |
| C18 | C17 | C16 | C27 | 1.0° | 0.3° |
| C18 | C19 | O20 | C26 | 178.3° | 180.0° |
| C18 | C19 | O20 | C21 | 157.9° | 146.3° |
| C18 | C19 | C26 | C27 | 0.1° | 0.1° |
| C19 | C18 | C17 | O15 | 174.8° | 179.8° |
| C18 | C19 | C26 | C25 | 179.7° | 179.9° |
| C19 | O20 | C21 | C22 | 82.2° | 72.0° |
| C19 | O20 | C21 | C23 | 158.8° | 168.6° |
| C19 | O20 | C21 | C24 | 38.5° | 48.4° |
| O20 | C19 | C26 | C27 | 178.3° | 179.8° |
| O20 | C19 | C26 | C25 | 1.5° | 0.1° |
| O20 | C19 | C18 | H18 | 1.8° | 0.1° |
| O20 | C21 | C22 | C23 | 114.9° | 119.4° |
| O20 | C21 | C22 | C24 | 120.2° | 121.2° |
| O20 | C21 | C23 | C24 | 119.7° | 121.1° |
| O20 | C21 | C24 | C25 | 35.2° | 31.5° |
| C21 | O20 | C19 | C26 | 23.8° | 33.8° |
| O20 | C21 | C22 | H22C | 180.0° | 59.4° |
| O20 | C21 | C22 | H22B | 60.0° | 60.6° |
| O20 | C21 | C22 | H22A | 60.0° | 179.4° |
| O20 | C21 | C23 | H23C | 180.0° | 179.5° |
| O20 | C21 | C23 | H23A | 60.0° | 60.6° |
| O20 | C21 | C23 | H23B | 60.0° | 59.4° |
| O20 | C21 | C24 | H24 | 144.8° | 148.5° |
| C22 | C21 | C23 | C24 | 124.7° | 119.5° |
| C22 | C21 | C24 | C25 | 82.8° | 88.8° |
| C21 | C22 | H22C | H22B | 120.0° | 120.0° |
| C21 | C22 | H22C | H22A | 120.0° | 120.0° |
| C21 | C22 | H22B | H22A | 120.0° | 120.0° |
| C22 | C21 | C23 | H23C | 64.4° | 60.0° |
| C22 | C21 | C23 | H23A | 175.6° | 180.0° |
| C22 | C21 | C23 | H23B | 55.6° | 60.0° |
| C22 | C21 | C24 | H24 | 97.2° | 91.1° |
| C23 | C21 | C24 | C25 | 152.1° | 151.8° |
| C23 | C21 | C22 | H22C | 65.1° | 60.0° |
| C23 | C21 | C22 | H22B | 54.9° | 180.0° |
| C23 | C21 | C22 | H22A | 174.9° | 60.0° |
| C21 | C23 | H23C | H23A | 120.0° | 120.0° |
| C21 | C23 | H23C | H23B | 120.0° | 120.0° |
| C21 | C23 | H23A | H23B | 120.0° | 120.0° |
| C23 | C21 | C24 | H24 | 27.9° | 28.3° |
| C21 | C24 | C25 | H24 | 180.0° | 179.9° |
| C21 | C24 | C25 | C26 | 15.6° | 0.7° |
| C24 | C21 | C22 | H22C | 59.7° | 179.4° |
| C24 | C21 | C22 | H22B | 179.7° | 60.6° |
| C24 | C21 | C22 | H22A | 60.3° | 59.4° |
| C24 | C21 | C23 | H23C | 60.3° | 59.5° |
| C24 | C21 | C23 | H23A | 59.7° | 60.5° |
| C24 | C21 | C23 | H23B | 179.7° | 179.5° |
| C21 | C24 | C25 | H25 | 164.4° | 179.5° |
| C24 | C25 | C26 | C19 | 2.7° | 16.5° |
| C24 | C25 | C26 | C27 | 177.6° | 163.8° |
| C24 | C25 | C26 | H25 | 180.0° | 179.9° |
| C19 | C26 | C27 | C25 | 179.7° | 179.7° |
| C19 | C26 | C27 | O28 | 175.9° | 180.0° |
| C19 | C26 | C27 | C16 | 0.7° | 0.4° |
| C26 | C19 | C18 | H18 | 180.0° | 179.9° |
| C19 | C26 | C25 | H25 | 177.3° | 163.4° |
| C26 | C27 | O28 | C16 | 176.7° | 179.6° |
| C26 | C27 | O28 | C29 | 82.9° | 90.0° |
| C27 | C26 | C25 | H25 | 2.4° | 16.3° |
| C27 | O28 | C29 | C30 | 167.7° | 180.0° |
| O28 | C27 | C26 | C25 | 4.3° | 0.3° |
| C27 | O28 | C29 | H29A | 72.2° | 60.1° |
| C27 | O28 | C29 | H29B | 47.6° | 60.0° |
| O28 | C29 | C30 | H29A | 120.1° | 120.0° |
| O28 | C29 | C30 | H29B | 120.1° | 120.0° |
| O28 | C29 | C30 | C31 | 33.5° | 90.0° |
| C29 | O28 | C27 | C16 | 93.7° | 89.6° |
| O28 | C29 | C30 | C35 | 149.2° | 90.2° |
| O28 | C29 | H29A | H29B | 119.7° | 120.1° |
| C29 | C30 | C31 | C35 | 177.5° | 179.8° |
| C29 | C30 | C31 | C32 | 177.3° | 180.0° |
| C29 | C30 | C35 | C34 | 177.4° | 179.9° |
| C30 | C29 | H29A | H29B | 119.7° | 120.0° |
| C29 | C30 | C31 | H31 | 2.7° | 0.0° |
| C29 | C30 | C35 | H35 | 2.6° | 0.0° |
| C30 | C31 | C32 | H31 | 180.0° | 179.9° |
| C30 | C31 | C32 | N33 | 0.1° | 0.1° |
| C31 | C30 | C35 | C34 | 0.1° | 0.2° |
| C31 | C30 | C29 | H29A | 153.5° | 150.0° |
| C31 | C30 | C29 | H29B | 86.6° | 30.0° |
| C30 | C31 | C32 | H32 | 179.9° | 180.0° |
| C31 | C30 | C35 | H35 | 179.9° | 179.8° |
| C31 | C32 | N33 | H32 | 180.0° | 179.9° |
| C31 | C32 | N33 | C34 | 0.0° | 0.3° |
| C32 | C31 | C30 | C35 | 0.1° | 0.2° |
| C32 | N33 | C34 | C35 | 0.0° | 0.3° |
| N33 | C32 | C31 | H31 | 179.9° | 180.0° |
| C32 | N33 | C34 | H34 | 179.9° | 179.7° |
| N33 | C34 | C35 | H34 | 180.0° | 179.9° |
| N33 | C34 | C35 | C30 | 0.0° | 0.1° |
| C34 | N33 | C32 | H32 | 180.0° | 179.7° |
| N33 | C34 | C35 | H35 | 180.0° | 180.0° |
| C34 | C35 | C30 | H35 | 180.0° | 179.9° |
| C14 | C7 | C8 | H8 | 179.7° | 179.7° |
| C7 | C14 | C13 | H13 | 179.9° | 179.7° |
| O15 | C17 | C16 | C27 | 174.1° | 179.9° |
| O15 | C17 | C18 | H18 | 5.2° | 0.2° |
| C16 | C27 | C26 | C25 | 179.1° | 179.9° |
| C26 | C25 | C24 | H24 | 164.4° | 179.4° |
| C35 | C30 | C29 | H29A | 29.1° | 29.8° |
| C35 | C30 | C29 | H29B | 90.7° | 149.8° |
| C35 | C30 | C31 | H31 | 179.9° | 179.8° |
| C30 | C35 | C34 | H34 | 180.0° | 180.0° |
| H5A | C5 | H5C | H5B | 120.0° | 120.0° |
| H8 | C8 | C9 | H9 | 0.1° | 0.0° |
| H12C | C12 | H12B | H12A | 120.0° | 120.0° |
| H13 | C13 | C14 | H14 | 0.1° | 0.3° |
| H22C | C22 | H22B | H22A | 119.9° | 120.0° |
| H23C | C23 | H23A | H23B | 120.0° | 120.0° |
| H24 | C24 | C25 | H25 | 15.6° | 0.5° |
| H31 | C31 | C32 | H32 | 0.1° | 0.0° |
| H34 | C34 | C35 | H35 | 0.0° | 0.1° |
