J2X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | C08 | sing | 1.36Å | 1.37Å | |
| C08 | C07 | doub | 1.39Å | 1.40Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C05 | sing | 1.38Å | 1.41Å | Aromatic |
| O01 | C01 | doub | 1.21Å | 1.24Å | |
| C05 | C04 | sing | 1.51Å | 1.53Å | |
| C29 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C30 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C01 | C11 | sing | 1.47Å | 1.41Å | |
| C01 | C02 | sing | 1.51Å | 1.55Å | |
| O03 | C28 | sing | 1.36Å | 1.37Å | |
| C24 | C11 | doub | 1.40Å | 1.42Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | C02 | sing | 1.53Å | 1.57Å | |
| C28 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.43Å | Aromatic |
| C25 | C23 | sing | 1.48Å | 1.46Å | |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C02 | C13 | sing | 1.53Å | 1.57Å | |
| C23 | C22 | doub | 1.39Å | 1.37Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | O04 | sing | 1.43Å | 1.39Å | |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C12 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.49Å | |
| C15 | C16 | sing | 1.51Å | 1.50Å | |
| C16 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C26 | H12 | sing | 1.08Å | 1.08Å | |
| C27 | H13 | sing | 1.08Å | 1.08Å | |
| C29 | H14 | sing | 1.08Å | 1.08Å | |
| C30 | H15 | sing | 1.08Å | 1.08Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| C03 | H17 | sing | 1.09Å | 1.10Å | |
| C04 | H18 | sing | 1.09Å | 1.10Å | |
| C04 | H19 | sing | 1.09Å | 1.10Å | |
| C06 | H20 | sing | 1.08Å | 1.08Å | |
| C07 | H21 | sing | 1.08Å | 1.08Å | |
| C09 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H23 | sing | 1.08Å | 1.08Å | |
| O02 | H24 | sing | 0.97Å | 0.95Å | |
| O03 | H25 | sing | 0.97Å | 0.95Å | |
| O04 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O02 | C08 | C07 | 120.1° | 120.1° |
| O02 | C08 | C09 | 120.6° | 120.1° |
| C08 | O02 | H24 | 109.5° | 114.0° |
| C07 | C08 | C09 | 119.3° | 119.9° |
| C08 | C07 | C06 | 120.0° | 119.9° |
| C08 | C07 | H21 | 120.0° | 120.0° |
| C08 | C09 | C10 | 119.5° | 120.0° |
| C08 | C09 | H22 | 120.2° | 120.1° |
| C07 | C06 | C05 | 122.3° | 120.1° |
| C07 | C06 | H20 | 118.9° | 119.9° |
| C06 | C07 | H21 | 120.0° | 120.1° |
| C09 | C10 | C05 | 122.5° | 120.0° |
| C09 | C10 | H1 | 118.8° | 120.0° |
| C10 | C09 | H22 | 120.2° | 120.0° |
| C06 | C05 | C10 | 116.3° | 120.1° |
| C06 | C05 | C04 | 120.3° | 120.0° |
| C05 | C06 | H20 | 118.8° | 120.0° |
| C10 | C05 | C04 | 123.3° | 119.9° |
| C05 | C10 | H1 | 118.7° | 120.0° |
| O01 | C01 | C11 | 128.4° | 125.9° |
| O01 | C01 | C02 | 119.8° | 126.0° |
| C05 | C04 | C02 | 121.0° | 109.5° |
| C05 | C04 | H18 | 106.5° | 109.5° |
| C05 | C04 | H19 | 106.5° | 109.4° |
| C30 | C29 | C28 | 119.8° | 120.1° |
| C29 | C30 | C25 | 121.7° | 120.0° |
| C30 | C29 | H14 | 120.1° | 119.9° |
| C29 | C30 | H15 | 119.2° | 120.0° |
| C29 | C28 | O03 | 120.4° | 119.9° |
| C29 | C28 | C27 | 119.3° | 120.1° |
| C28 | C29 | H14 | 120.1° | 120.0° |
| C30 | C25 | C23 | 126.3° | 120.1° |
| C30 | C25 | C26 | 117.5° | 119.9° |
| C25 | C30 | H15 | 119.2° | 120.0° |
| C11 | C01 | C02 | 111.8° | 108.1° |
| C01 | C11 | C24 | 128.0° | 130.0° |
| C01 | C11 | C12 | 110.6° | 110.6° |
| C01 | C02 | C04 | 115.7° | 110.3° |
| C01 | C02 | C03 | 114.2° | 110.2° |
| C01 | C02 | C13 | 100.6° | 105.4° |
| O03 | C28 | C27 | 120.3° | 120.0° |
| C28 | O03 | H25 | 109.5° | 114.0° |
| C11 | C24 | C23 | 120.4° | 120.0° |
| C24 | C11 | C12 | 121.4° | 119.4° |
| C11 | C24 | H23 | 119.8° | 119.9° |
| C24 | C23 | C25 | 127.8° | 120.1° |
| C24 | C23 | C22 | 113.5° | 119.9° |
| C23 | C24 | H23 | 119.8° | 120.0° |
| C04 | C02 | C03 | 101.3° | 110.3° |
| C04 | C02 | C13 | 113.5° | 110.6° |
| C02 | C04 | H18 | 106.5° | 109.5° |
| C02 | C04 | H19 | 106.5° | 109.5° |
| C28 | C27 | C26 | 119.9° | 120.0° |
| C28 | C27 | H13 | 120.1° | 120.0° |
| C11 | C12 | C13 | 108.2° | 109.5° |
| C11 | C12 | C14 | 119.4° | 120.1° |
| C23 | C25 | C26 | 116.2° | 120.0° |
| C25 | C23 | C22 | 118.7° | 120.1° |
| C25 | C26 | C27 | 121.8° | 119.9° |
| C25 | C26 | H12 | 119.1° | 120.1° |
| C03 | C02 | C13 | 112.0° | 110.0° |
| C02 | C03 | O04 | 112.8° | 109.5° |
| C02 | C03 | H16 | 108.6° | 109.4° |
| C02 | C03 | H17 | 108.6° | 109.5° |
| C02 | C13 | C12 | 108.4° | 106.4° |
| C02 | C13 | H2 | 109.7° | 110.1° |
| C02 | C13 | H3 | 109.7° | 110.2° |
| C23 | C22 | C14 | 131.2° | 120.1° |
| C23 | C22 | H11 | 114.4° | 120.0° |
| C27 | C26 | H12 | 119.1° | 120.0° |
| C26 | C27 | H13 | 120.1° | 120.0° |
| O04 | C03 | H16 | 108.6° | 109.5° |
| O04 | C03 | H17 | 108.6° | 109.5° |
| C03 | O04 | H26 | 109.5° | 114.0° |
| C13 | C12 | C14 | 132.4° | 130.3° |
| C12 | C13 | H2 | 109.8° | 110.1° |
| C12 | C13 | H3 | 109.7° | 110.1° |
| C12 | C14 | C22 | 114.1° | 120.5° |
| C12 | C14 | C15 | 132.8° | 119.7° |
| C22 | C14 | C15 | 113.1° | 119.8° |
| C14 | C22 | H11 | 114.4° | 120.0° |
| C14 | C15 | C16 | 119.4° | 109.5° |
| C14 | C15 | H4 | 106.9° | 109.5° |
| C14 | C15 | H5 | 106.9° | 109.5° |
| C15 | C16 | C21 | 122.4° | 120.0° |
| C15 | C16 | C17 | 119.4° | 120.0° |
| C16 | C15 | H4 | 106.9° | 109.5° |
| C16 | C15 | H5 | 106.9° | 109.5° |
| C21 | C16 | C17 | 118.1° | 119.9° |
| C16 | C21 | C20 | 120.9° | 120.0° |
| C16 | C21 | H10 | 119.6° | 119.9° |
| C16 | C17 | C18 | 121.0° | 120.0° |
| C16 | C17 | H6 | 119.5° | 119.9° |
| C21 | C20 | C19 | 120.2° | 120.0° |
| C21 | C20 | H9 | 119.9° | 120.0° |
| C20 | C21 | H10 | 119.6° | 120.0° |
| C17 | C18 | C19 | 120.4° | 120.0° |
| C18 | C17 | H6 | 119.5° | 120.0° |
| C17 | C18 | H7 | 119.8° | 120.0° |
| C20 | C19 | C18 | 119.4° | 120.0° |
| C20 | C19 | H8 | 120.3° | 120.0° |
| C19 | C20 | H9 | 119.9° | 120.0° |
| C19 | C18 | H7 | 119.8° | 120.0° |
| C18 | C19 | H8 | 120.3° | 120.0° |
| H2 | C13 | H3 | 109.5° | 110.0° |
| H4 | C15 | H5 | 109.5° | 109.4° |
| H16 | C03 | H17 | 109.5° | 109.4° |
| H18 | C04 | H19 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O02 | C08 | C07 | C09 | 180.0° | 179.7° |
| O02 | C08 | C07 | C06 | 179.8° | 180.0° |
| O02 | C08 | C09 | C10 | 179.8° | 179.7° |
| O02 | C08 | C07 | H21 | 0.2° | 0.0° |
| O02 | C08 | C09 | H22 | 0.2° | 0.2° |
| C08 | C07 | C06 | H21 | 180.0° | 180.0° |
| C07 | C08 | C09 | C10 | 0.2° | 0.5° |
| C08 | C07 | C06 | C05 | 0.3° | 0.0° |
| C08 | C07 | C06 | H20 | 179.7° | 179.9° |
| C07 | C08 | C09 | H22 | 179.8° | 179.9° |
| C07 | C08 | O02 | H24 | 180.0° | 90.0° |
| C09 | C08 | C07 | C06 | 0.2° | 0.3° |
| C08 | C09 | C10 | H22 | 180.0° | 179.6° |
| C08 | C09 | C10 | C05 | 0.4° | 0.5° |
| C08 | C09 | C10 | H1 | 179.6° | 179.7° |
| C09 | C08 | C07 | H21 | 179.8° | 179.7° |
| C09 | C08 | O02 | H24 | 0.0° | 89.7° |
| C07 | C06 | C05 | H20 | 180.0° | 179.9° |
| C07 | C06 | C05 | C10 | 0.4° | 0.1° |
| C07 | C06 | C05 | C04 | 179.8° | 180.0° |
| C09 | C10 | C05 | C06 | 0.4° | 0.2° |
| C09 | C10 | C05 | H1 | 180.0° | 179.8° |
| C09 | C10 | C05 | C04 | 179.8° | 179.7° |
| C06 | C05 | C10 | C04 | 179.8° | 179.9° |
| C06 | C05 | C04 | C02 | 90.2° | 89.9° |
| C06 | C05 | C10 | H1 | 179.5° | 180.0° |
| C06 | C05 | C04 | H18 | 148.1° | 150.0° |
| C06 | C05 | C04 | H19 | 31.4° | 30.0° |
| C05 | C06 | C07 | H21 | 179.7° | 180.0° |
| C10 | C05 | C04 | C02 | 90.0° | 90.0° |
| C10 | C05 | C04 | H18 | 31.6° | 30.0° |
| C10 | C05 | C04 | H19 | 148.4° | 150.0° |
| C10 | C05 | C06 | H20 | 179.6° | 180.0° |
| C05 | C10 | C09 | H22 | 179.6° | 179.9° |
| O01 | C01 | C11 | C02 | 179.4° | 179.6° |
| O01 | C01 | C11 | C24 | 3.9° | 0.9° |
| O01 | C01 | C02 | C04 | 51.1° | 60.5° |
| O01 | C01 | C11 | C12 | 176.2° | 180.0° |
| O01 | C01 | C02 | C03 | 66.0° | 61.5° |
| O01 | C01 | C02 | C13 | 173.9° | 179.8° |
| C05 | C04 | C02 | C01 | 53.2° | 61.5° |
| C05 | C04 | C02 | H18 | 121.6° | 120.0° |
| C05 | C04 | C02 | H19 | 121.6° | 120.0° |
| C05 | C04 | C02 | C03 | 70.9° | 60.5° |
| C05 | C04 | C02 | C13 | 168.8° | 177.6° |
| C04 | C05 | C10 | H1 | 0.2° | 0.0° |
| C05 | C04 | H18 | H19 | 114.8° | 120.0° |
| C04 | C05 | C06 | H20 | 0.2° | 0.1° |
| C30 | C29 | C28 | H14 | 180.0° | 179.8° |
| C29 | C30 | C25 | H15 | 180.0° | 179.8° |
| C30 | C29 | C28 | O03 | 180.0° | 179.9° |
| C30 | C29 | C28 | C27 | 0.1° | 0.1° |
| C29 | C30 | C25 | C23 | 180.0° | 179.9° |
| C29 | C30 | C25 | C26 | 0.2° | 0.5° |
| C28 | C29 | C30 | C25 | 0.1° | 0.2° |
| C29 | C28 | O03 | C27 | 180.0° | 180.0° |
| C29 | C28 | C27 | C26 | 0.1° | 0.0° |
| C29 | C28 | C27 | H13 | 179.9° | 179.9° |
| C28 | C29 | C30 | H15 | 179.9° | 180.0° |
| C29 | C28 | O03 | H25 | 180.0° | 90.0° |
| C30 | C25 | C23 | C24 | 33.0° | 0.1° |
| C30 | C25 | C23 | C26 | 179.8° | 179.4° |
| C30 | C25 | C23 | C22 | 146.3° | 180.0° |
| C30 | C25 | C26 | C27 | 0.2° | 0.6° |
| C30 | C25 | C26 | H12 | 179.8° | 179.7° |
| C25 | C30 | C29 | H14 | 179.9° | 180.0° |
| C01 | C11 | C24 | C12 | 179.9° | 179.1° |
| C01 | C11 | C24 | C23 | 180.0° | 179.6° |
| C11 | C01 | C02 | C04 | 129.4° | 119.1° |
| C11 | C01 | C02 | C03 | 113.4° | 118.9° |
| C11 | C01 | C02 | C13 | 6.7° | 0.3° |
| C01 | C11 | C12 | C13 | 0.1° | 0.5° |
| C01 | C11 | C12 | C14 | 179.5° | 179.8° |
| C01 | C11 | C24 | H23 | 0.0° | 0.1° |
| C02 | C01 | C11 | C24 | 175.5° | 179.6° |
| C01 | C02 | C04 | C03 | 124.2° | 122.0° |
| C01 | C02 | C04 | C13 | 115.6° | 116.1° |
| C02 | C01 | C11 | C12 | 4.4° | 0.5° |
| C01 | C02 | C03 | C13 | 113.5° | 115.8° |
| C01 | C02 | C03 | O04 | 66.5° | 61.5° |
| C01 | C02 | C13 | C12 | 6.5° | 0.0° |
| C01 | C02 | C13 | H2 | 126.4° | 119.3° |
| C01 | C02 | C13 | H3 | 113.3° | 119.2° |
| C01 | C02 | C03 | H16 | 54.0° | 178.5° |
| C01 | C02 | C03 | H17 | 173.0° | 58.5° |
| C01 | C02 | C04 | H18 | 174.9° | 58.6° |
| C01 | C02 | C04 | H19 | 68.4° | 178.6° |
| O03 | C28 | C27 | C26 | 180.0° | 180.0° |
| O03 | C28 | C27 | H13 | 0.1° | 0.1° |
| O03 | C28 | C29 | H14 | 0.0° | 0.3° |
| C11 | C24 | C23 | H23 | 180.0° | 179.6° |
| C11 | C24 | C23 | C25 | 179.6° | 179.7° |
| C11 | C24 | C23 | C22 | 0.3° | 0.2° |
| C24 | C11 | C12 | C13 | 180.0° | 179.7° |
| C24 | C11 | C12 | C14 | 0.4° | 0.6° |
| C23 | C24 | C11 | C12 | 0.1° | 0.6° |
| C24 | C23 | C25 | C22 | 179.3° | 179.9° |
| C24 | C23 | C25 | C26 | 146.8° | 179.5° |
| C24 | C23 | C22 | C14 | 0.1° | 0.1° |
| C24 | C23 | C22 | H11 | 179.9° | 180.0° |
| C04 | C02 | C03 | C13 | 121.3° | 122.3° |
| C04 | C02 | C03 | O04 | 168.4° | 60.5° |
| C04 | C02 | C13 | C12 | 130.8° | 119.1° |
| C04 | C02 | C13 | H2 | 109.4° | 0.1° |
| C04 | C02 | C13 | H3 | 11.0° | 121.6° |
| C04 | C02 | C03 | H16 | 71.1° | 59.5° |
| C04 | C02 | C03 | H17 | 47.9° | 179.5° |
| C02 | C04 | H18 | H19 | 114.8° | 120.0° |
| C28 | C27 | C26 | C25 | 0.1° | 0.3° |
| C28 | C27 | C26 | H13 | 180.0° | 179.9° |
| C28 | C27 | C26 | H12 | 179.9° | 179.9° |
| C27 | C28 | C29 | H14 | 180.0° | 179.7° |
| C27 | C28 | O03 | H25 | 0.0° | 90.0° |
| C11 | C12 | C13 | C02 | 4.5° | 0.3° |
| C11 | C12 | C13 | C14 | 179.6° | 179.7° |
| C11 | C12 | C14 | C22 | 0.6° | 0.3° |
| C11 | C12 | C14 | C15 | 179.6° | 179.7° |
| C11 | C12 | C13 | H2 | 124.4° | 119.0° |
| C11 | C12 | C13 | H3 | 115.3° | 119.6° |
| C12 | C11 | C24 | H23 | 179.9° | 179.0° |
| C23 | C25 | C26 | C27 | 179.9° | 180.0° |
| C25 | C23 | C22 | C14 | 179.5° | 180.0° |
| C25 | C23 | C22 | H11 | 0.6° | 0.1° |
| C23 | C25 | C26 | H12 | 0.1° | 0.3° |
| C23 | C25 | C30 | H15 | 0.0° | 0.3° |
| C25 | C23 | C24 | H23 | 0.4° | 0.7° |
| C26 | C25 | C23 | C22 | 33.9° | 0.6° |
| C25 | C26 | C27 | H12 | 180.0° | 179.8° |
| C25 | C26 | C27 | H13 | 179.9° | 179.8° |
| C26 | C25 | C30 | H15 | 179.8° | 179.7° |
| C02 | C03 | O04 | H16 | 120.5° | 120.0° |
| C02 | C03 | O04 | H17 | 120.5° | 120.1° |
| C03 | C02 | C13 | C12 | 115.2° | 118.8° |
| C03 | C02 | C13 | H2 | 4.7° | 121.9° |
| C03 | C02 | C13 | H3 | 125.0° | 0.4° |
| C02 | C03 | H16 | H17 | 118.5° | 120.0° |
| C03 | C02 | C04 | H18 | 50.7° | 179.5° |
| C03 | C02 | C04 | H19 | 167.5° | 59.5° |
| C02 | C03 | O04 | H26 | 180.0° | 180.0° |
| C13 | C02 | C03 | O04 | 47.0° | 177.3° |
| C02 | C13 | C12 | H2 | 119.8° | 119.2° |
| C02 | C13 | C12 | H3 | 119.8° | 119.3° |
| C02 | C13 | C12 | C14 | 175.1° | 180.0° |
| C02 | C13 | H2 | H3 | 120.5° | 121.6° |
| C13 | C02 | C03 | H16 | 167.5° | 62.8° |
| C13 | C02 | C03 | H17 | 73.5° | 57.2° |
| C13 | C02 | C04 | H18 | 69.6° | 57.5° |
| C13 | C02 | C04 | H19 | 47.2° | 62.5° |
| C23 | C22 | C14 | C12 | 0.4° | 0.0° |
| C23 | C22 | C14 | H11 | 180.0° | 179.9° |
| C23 | C22 | C14 | C15 | 179.6° | 180.0° |
| C22 | C23 | C24 | H23 | 179.7° | 179.3° |
| O04 | C03 | H16 | H17 | 118.5° | 120.0° |
| C13 | C12 | C14 | C22 | 179.9° | 180.0° |
| C13 | C12 | C14 | C15 | 0.9° | 0.0° |
| C12 | C13 | H2 | H3 | 120.5° | 121.5° |
| C12 | C14 | C22 | C15 | 179.2° | 180.0° |
| C12 | C14 | C15 | C16 | 84.9° | 85.0° |
| C14 | C12 | C13 | H2 | 55.2° | 60.7° |
| C14 | C12 | C13 | H3 | 65.1° | 60.7° |
| C12 | C14 | C15 | H4 | 153.7° | 155.0° |
| C12 | C14 | C15 | H5 | 36.5° | 35.1° |
| C12 | C14 | C22 | H11 | 179.6° | 180.0° |
| C22 | C14 | C15 | C16 | 94.1° | 95.0° |
| C22 | C14 | C15 | H4 | 27.3° | 25.0° |
| C22 | C14 | C15 | H5 | 144.5° | 145.0° |
| C14 | C15 | C16 | H4 | 121.4° | 120.0° |
| C14 | C15 | C16 | H5 | 121.4° | 120.0° |
| C14 | C15 | C16 | C21 | 90.3° | 90.0° |
| C14 | C15 | C16 | C17 | 89.1° | 89.7° |
| C14 | C15 | H4 | H5 | 115.5° | 120.0° |
| C15 | C14 | C22 | H11 | 0.4° | 0.0° |
| C15 | C16 | C21 | C17 | 179.4° | 179.7° |
| C15 | C16 | C21 | C20 | 179.7° | 179.8° |
| C15 | C16 | C17 | C18 | 179.8° | 180.0° |
| C16 | C15 | H4 | H5 | 115.5° | 120.0° |
| C15 | C16 | C17 | H6 | 0.2° | 0.0° |
| C15 | C16 | C21 | H10 | 0.3° | 0.0° |
| C16 | C21 | C20 | H10 | 180.0° | 179.8° |
| C21 | C16 | C17 | C18 | 0.4° | 0.3° |
| C16 | C21 | C20 | C19 | 0.1° | 0.4° |
| C21 | C16 | C15 | H4 | 31.1° | 30.0° |
| C21 | C16 | C15 | H5 | 148.3° | 150.0° |
| C21 | C16 | C17 | H6 | 179.6° | 179.7° |
| C16 | C21 | C20 | H9 | 179.9° | 179.7° |
| C17 | C16 | C21 | C20 | 0.3° | 0.5° |
| C16 | C17 | C18 | H6 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.3° | 0.0° |
| C17 | C16 | C15 | H4 | 149.5° | 150.3° |
| C17 | C16 | C15 | H5 | 32.3° | 30.3° |
| C16 | C17 | C18 | H7 | 179.7° | 180.0° |
| C17 | C16 | C21 | H10 | 179.7° | 179.7° |
| C21 | C20 | C19 | H9 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 0.0° | 0.2° |
| C21 | C20 | C19 | H8 | 179.9° | 179.8° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C17 | C18 | C19 | H7 | 180.0° | 180.0° |
| C17 | C18 | C19 | H8 | 180.0° | 180.0° |
| C20 | C19 | C18 | H8 | 180.0° | 179.9° |
| C20 | C19 | C18 | H7 | 179.9° | 179.9° |
| C19 | C20 | C21 | H10 | 179.9° | 179.8° |
| C19 | C18 | C17 | H6 | 179.7° | 180.0° |
| C18 | C19 | C20 | H9 | 180.0° | 180.0° |
| H1 | C10 | C09 | H22 | 0.4° | 0.2° |
| H6 | C17 | C18 | H7 | 0.3° | 0.0° |
| H7 | C18 | C19 | H8 | 0.0° | 0.0° |
| H8 | C19 | C20 | H9 | 0.1° | 0.1° |
| H9 | C20 | C21 | H10 | 0.1° | 0.1° |
| H12 | C26 | C27 | H13 | 0.1° | 0.0° |
| H14 | C29 | C30 | H15 | 0.1° | 0.2° |
| H16 | C03 | O04 | H26 | 59.5° | 60.0° |
| H17 | C03 | O04 | H26 | 59.5° | 59.9° |
| H20 | C06 | C07 | H21 | 0.3° | 0.0° |
