A1AQ2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| O12 | C11 | sing | 1.43Å | 1.38Å | |
| C02 | C03 | sing | 1.51Å | 1.52Å | |
| C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.54Å | |
| C10 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C06 | sing | 1.38Å | 1.41Å | Aromatic |
| C06 | C05 | sing | 1.51Å | 1.54Å | |
| C03 | O28 | doub | 1.21Å | 1.25Å | |
| C03 | N04 | sing | 1.35Å | 1.38Å | |
| C05 | N04 | sing | 1.47Å | 1.51Å | |
| N04 | C14 | sing | 1.46Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C14 | C17 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.53Å | 1.49Å | |
| C17 | C18 | sing | 1.53Å | 1.48Å | |
| C16 | N19 | sing | 1.47Å | 1.48Å | |
| N19 | C18 | sing | 1.47Å | 1.48Å | |
| N19 | C20 | sing | 1.47Å | 1.50Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.08Å | 1.08Å | |
| C08 | H9 | sing | 1.08Å | 1.08Å | |
| C09 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.08Å | 1.08Å | |
| C24 | H28 | sing | 1.08Å | 1.08Å | |
| C25 | H29 | sing | 1.08Å | 1.08Å | |
| C26 | H30 | sing | 1.08Å | 1.08Å | |
| C27 | H31 | sing | 1.08Å | 1.08Å | |
| O12 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 116.8° | 109.4° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.4° | 109.5° |
| C01 | C02 | H4 | 107.6° | 109.4° |
| C01 | C02 | H5 | 107.6° | 109.4° |
| O12 | C11 | C10 | 111.2° | 109.5° |
| O12 | C11 | H11 | 109.0° | 109.5° |
| O12 | C11 | H12 | 109.0° | 109.4° |
| C11 | O12 | H33 | 109.5° | 114.0° |
| C02 | C03 | O28 | 113.6° | 120.0° |
| C02 | C03 | N04 | 125.9° | 120.0° |
| C03 | C02 | H4 | 107.6° | 109.5° |
| C03 | C02 | H5 | 107.6° | 109.5° |
| C08 | C09 | C10 | 121.0° | 119.9° |
| C09 | C08 | C07 | 120.9° | 120.0° |
| C09 | C08 | H9 | 119.6° | 120.0° |
| C08 | C09 | H10 | 119.5° | 120.0° |
| C09 | C10 | C11 | 120.2° | 120.0° |
| C09 | C10 | C13 | 116.6° | 120.0° |
| C10 | C09 | H10 | 119.5° | 120.0° |
| C08 | C07 | C06 | 121.4° | 120.0° |
| C08 | C07 | H8 | 119.3° | 120.0° |
| C07 | C08 | H9 | 119.6° | 120.0° |
| C11 | C10 | C13 | 123.2° | 120.0° |
| C10 | C11 | H11 | 109.0° | 109.5° |
| C10 | C11 | H12 | 109.1° | 109.5° |
| C10 | C13 | C06 | 123.8° | 120.0° |
| C10 | C13 | H13 | 118.1° | 120.0° |
| C07 | C06 | C13 | 116.3° | 119.9° |
| C07 | C06 | C05 | 120.2° | 120.0° |
| C06 | C07 | H8 | 119.3° | 120.0° |
| C13 | C06 | C05 | 123.5° | 120.0° |
| C06 | C13 | H13 | 118.1° | 120.0° |
| C06 | C05 | N04 | 118.6° | 109.4° |
| C06 | C05 | H6 | 107.1° | 109.4° |
| C06 | C05 | H7 | 107.1° | 109.5° |
| O28 | C03 | N04 | 120.5° | 120.0° |
| C03 | N04 | C05 | 123.8° | 120.0° |
| C03 | N04 | C14 | 124.6° | 120.0° |
| C05 | N04 | C14 | 111.6° | 120.0° |
| N04 | C05 | H6 | 107.1° | 109.5° |
| N04 | C05 | H7 | 107.1° | 109.5° |
| N04 | C14 | C15 | 112.6° | 109.6° |
| N04 | C14 | C17 | 115.1° | 109.5° |
| N04 | C14 | H14 | 107.4° | 109.6° |
| C15 | C14 | C17 | 107.3° | 109.2° |
| C14 | C15 | C16 | 113.5° | 109.3° |
| C15 | C14 | H14 | 106.9° | 109.5° |
| C14 | C15 | H15 | 108.5° | 109.5° |
| C14 | C15 | H16 | 108.4° | 109.5° |
| C14 | C17 | C18 | 114.3° | 109.3° |
| C17 | C14 | H14 | 107.1° | 109.5° |
| C14 | C17 | H19 | 108.3° | 109.5° |
| C14 | C17 | H20 | 108.3° | 109.6° |
| C15 | C16 | N19 | 109.8° | 109.5° |
| C16 | C15 | H15 | 108.5° | 109.5° |
| C16 | C15 | H16 | 108.5° | 109.5° |
| C15 | C16 | H17 | 109.4° | 109.4° |
| C15 | C16 | H18 | 109.4° | 109.5° |
| C17 | C18 | N19 | 109.5° | 109.6° |
| C18 | C17 | H19 | 108.3° | 109.4° |
| C18 | C17 | H20 | 108.2° | 109.5° |
| C17 | C18 | H21 | 109.5° | 109.5° |
| C17 | C18 | H22 | 109.5° | 109.4° |
| C16 | N19 | C18 | 110.2° | 111.2° |
| C16 | N19 | C20 | 109.7° | 111.0° |
| N19 | C16 | H17 | 109.4° | 109.5° |
| N19 | C16 | H18 | 109.4° | 109.5° |
| C18 | N19 | C20 | 106.7° | 111.0° |
| N19 | C18 | H21 | 109.5° | 109.5° |
| N19 | C18 | H22 | 109.5° | 109.4° |
| N19 | C20 | C21 | 108.9° | 109.5° |
| N19 | C20 | H23 | 109.6° | 109.5° |
| N19 | C20 | H24 | 109.6° | 109.5° |
| C20 | C21 | C22 | 113.1° | 109.5° |
| C21 | C20 | H23 | 109.6° | 109.4° |
| C21 | C20 | H24 | 109.6° | 109.5° |
| C20 | C21 | H25 | 108.6° | 109.5° |
| C20 | C21 | H26 | 108.5° | 109.4° |
| C21 | C22 | C23 | 121.7° | 120.0° |
| C21 | C22 | C27 | 121.1° | 120.0° |
| C22 | C21 | H25 | 108.5° | 109.4° |
| C22 | C21 | H26 | 108.5° | 109.5° |
| C23 | C22 | C27 | 117.3° | 120.0° |
| C22 | C23 | C24 | 121.0° | 120.0° |
| C22 | C23 | H27 | 119.5° | 120.0° |
| C22 | C27 | C26 | 121.5° | 119.9° |
| C22 | C27 | H31 | 119.2° | 120.0° |
| C23 | C24 | C25 | 120.7° | 120.0° |
| C24 | C23 | H27 | 119.5° | 120.0° |
| C23 | C24 | H28 | 119.6° | 120.0° |
| C27 | C26 | C25 | 120.5° | 120.0° |
| C27 | C26 | H30 | 119.7° | 120.0° |
| C26 | C27 | H31 | 119.3° | 120.0° |
| C24 | C25 | C26 | 119.0° | 120.0° |
| C25 | C24 | H28 | 119.6° | 120.0° |
| C24 | C25 | H29 | 120.5° | 120.0° |
| C26 | C25 | H29 | 120.5° | 120.0° |
| C25 | C26 | H30 | 119.7° | 120.0° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| H6 | C05 | H7 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H17 | C16 | H18 | 109.5° | 109.5° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| H21 | C18 | H22 | 109.5° | 109.5° |
| H23 | C20 | H24 | 109.5° | 109.5° |
| H25 | C21 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H4 | 121.1° | 119.9° |
| C01 | C02 | C03 | H5 | 121.1° | 119.9° |
| C01 | C02 | C03 | O28 | 3.6° | 5.5° |
| C01 | C02 | C03 | N04 | 176.4° | 174.6° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.1° |
| C01 | C02 | H4 | H5 | 116.7° | 120.0° |
| O12 | C11 | C10 | C09 | 44.6° | 90.0° |
| O12 | C11 | C10 | H11 | 120.3° | 120.0° |
| O12 | C11 | C10 | H12 | 120.2° | 120.0° |
| O12 | C11 | C10 | C13 | 135.3° | 89.8° |
| O12 | C11 | H11 | H12 | 119.2° | 119.9° |
| C02 | C03 | O28 | N04 | 179.9° | 179.9° |
| C02 | C03 | N04 | C05 | 0.1° | 5.1° |
| C02 | C03 | N04 | C14 | 179.9° | 174.9° |
| C03 | C02 | C01 | H1 | 180.0° | 180.0° |
| C03 | C02 | C01 | H2 | 60.0° | 60.0° |
| C03 | C02 | C01 | H3 | 60.0° | 60.0° |
| C03 | C02 | H4 | H5 | 116.6° | 120.1° |
| C08 | C09 | C10 | H10 | 180.0° | 180.0° |
| C09 | C08 | C07 | H9 | 180.0° | 179.9° |
| C08 | C09 | C10 | C11 | 180.0° | 180.0° |
| C08 | C09 | C10 | C13 | 0.1° | 0.2° |
| C09 | C08 | C07 | C06 | 0.0° | 0.0° |
| C09 | C08 | C07 | H8 | 180.0° | 179.9° |
| C10 | C09 | C08 | C07 | 0.0° | 0.1° |
| C09 | C10 | C11 | C13 | 179.9° | 179.8° |
| C09 | C10 | C13 | C06 | 0.0° | 0.5° |
| C10 | C09 | C08 | H9 | 180.0° | 180.0° |
| C09 | C10 | C11 | H11 | 75.7° | 150.0° |
| C09 | C10 | C11 | H12 | 164.8° | 29.9° |
| C09 | C10 | C13 | H13 | 180.0° | 180.0° |
| C08 | C07 | C06 | H8 | 180.0° | 180.0° |
| C08 | C07 | C06 | C13 | 0.0° | 0.3° |
| C08 | C07 | C06 | C05 | 180.0° | 180.0° |
| C07 | C08 | C09 | H10 | 180.0° | 179.9° |
| C11 | C10 | C13 | C06 | 179.9° | 179.7° |
| C11 | C10 | C09 | H10 | 0.1° | 0.0° |
| C10 | C11 | H11 | H12 | 119.2° | 120.1° |
| C11 | C10 | C13 | H13 | 0.1° | 0.2° |
| C10 | C11 | O12 | H33 | 180.0° | 179.9° |
| C10 | C13 | C06 | C07 | 0.0° | 0.6° |
| C10 | C13 | C06 | H13 | 180.0° | 179.5° |
| C10 | C13 | C06 | C05 | 179.9° | 179.7° |
| C13 | C10 | C09 | H10 | 180.0° | 179.8° |
| C13 | C10 | C11 | H11 | 104.4° | 30.2° |
| C13 | C10 | C11 | H12 | 15.0° | 150.2° |
| C07 | C06 | C13 | C05 | 179.9° | 179.7° |
| C07 | C06 | C05 | N04 | 16.0° | 84.4° |
| C07 | C06 | C05 | H6 | 137.3° | 155.6° |
| C07 | C06 | C05 | H7 | 105.3° | 35.6° |
| C06 | C07 | C08 | H9 | 180.0° | 179.9° |
| C07 | C06 | C13 | H13 | 180.0° | 179.9° |
| C13 | C06 | C05 | N04 | 164.0° | 95.9° |
| C13 | C06 | C05 | H6 | 42.7° | 24.1° |
| C13 | C06 | C05 | H7 | 74.7° | 144.1° |
| C13 | C06 | C07 | H8 | 180.0° | 179.7° |
| C06 | C05 | N04 | C03 | 89.3° | 95.5° |
| C06 | C05 | N04 | H6 | 121.3° | 120.0° |
| C06 | C05 | N04 | H7 | 121.3° | 120.0° |
| C06 | C05 | N04 | C14 | 90.8° | 84.6° |
| C06 | C05 | H6 | H7 | 115.9° | 120.0° |
| C05 | C06 | C07 | H8 | 0.0° | 0.0° |
| C05 | C06 | C13 | H13 | 0.1° | 0.2° |
| O28 | C03 | N04 | C05 | 180.0° | 174.8° |
| O28 | C03 | N04 | C14 | 0.1° | 5.2° |
| O28 | C03 | C02 | H4 | 124.6° | 125.4° |
| O28 | C03 | C02 | H5 | 117.5° | 114.5° |
| C03 | N04 | C05 | C14 | 179.8° | 179.9° |
| C03 | N04 | C14 | C15 | 83.5° | 61.6° |
| C03 | N04 | C14 | C17 | 153.1° | 58.2° |
| N04 | C03 | C02 | H4 | 55.3° | 54.7° |
| N04 | C03 | C02 | H5 | 62.6° | 65.4° |
| C03 | N04 | C05 | H6 | 149.3° | 24.5° |
| C03 | N04 | C05 | H7 | 31.9° | 144.5° |
| C03 | N04 | C14 | H14 | 34.0° | 178.3° |
| C05 | N04 | C14 | C15 | 96.7° | 118.5° |
| C05 | N04 | C14 | C17 | 26.7° | 121.8° |
| N04 | C05 | H6 | H7 | 115.9° | 120.1° |
| C05 | N04 | C14 | H14 | 145.9° | 1.7° |
| N04 | C14 | C15 | C17 | 127.6° | 120.0° |
| N04 | C14 | C15 | H14 | 117.7° | 120.2° |
| N04 | C14 | C17 | H14 | 119.3° | 120.2° |
| N04 | C14 | C15 | C16 | 177.1° | 177.6° |
| N04 | C14 | C17 | C18 | 176.3° | 177.5° |
| C14 | N04 | C05 | H6 | 30.5° | 155.5° |
| C14 | N04 | C05 | H7 | 147.9° | 35.4° |
| N04 | C14 | C15 | H15 | 62.3° | 62.4° |
| N04 | C14 | C15 | H16 | 56.5° | 57.6° |
| N04 | C14 | C17 | H19 | 55.5° | 57.7° |
| N04 | C14 | C17 | H20 | 63.1° | 62.5° |
| C15 | C14 | C17 | H14 | 114.5° | 119.8° |
| C14 | C15 | C16 | H15 | 120.6° | 120.0° |
| C14 | C15 | C16 | H16 | 120.6° | 120.0° |
| C15 | C14 | C17 | C18 | 50.1° | 57.6° |
| C14 | C15 | C16 | N19 | 57.0° | 59.1° |
| C14 | C15 | H15 | H16 | 118.1° | 120.0° |
| C14 | C15 | C16 | H17 | 63.1° | 60.8° |
| C14 | C15 | C16 | H18 | 177.0° | 179.1° |
| C15 | C14 | C17 | H19 | 70.7° | 62.3° |
| C15 | C14 | C17 | H20 | 170.7° | 177.6° |
| C17 | C14 | C15 | C16 | 49.4° | 57.6° |
| C14 | C17 | C18 | H19 | 120.7° | 119.9° |
| C14 | C17 | C18 | H20 | 120.7° | 120.0° |
| C14 | C17 | C18 | N19 | 57.7° | 59.1° |
| C17 | C14 | C15 | H15 | 170.1° | 177.6° |
| C17 | C14 | C15 | H16 | 71.2° | 62.4° |
| C14 | C17 | H19 | H20 | 117.8° | 120.2° |
| C14 | C17 | C18 | H21 | 177.7° | 179.2° |
| C14 | C17 | C18 | H22 | 62.3° | 60.9° |
| C15 | C16 | N19 | H17 | 120.0° | 119.9° |
| C15 | C16 | N19 | H18 | 120.0° | 120.0° |
| C15 | C16 | N19 | C18 | 62.2° | 61.7° |
| C15 | C16 | N19 | C20 | 179.4° | 174.2° |
| C16 | C15 | C14 | H14 | 65.2° | 62.2° |
| C16 | C15 | H15 | H16 | 118.2° | 120.1° |
| C15 | C16 | H17 | H18 | 119.9° | 120.0° |
| C17 | C18 | N19 | C16 | 62.3° | 61.7° |
| C17 | C18 | N19 | H21 | 120.0° | 120.1° |
| C17 | C18 | N19 | H22 | 120.0° | 120.0° |
| C17 | C18 | N19 | C20 | 178.7° | 174.2° |
| C18 | C17 | C14 | H14 | 64.5° | 62.3° |
| C18 | C17 | H19 | H20 | 117.8° | 120.1° |
| C17 | C18 | H21 | H22 | 120.0° | 119.9° |
| C16 | N19 | C18 | C20 | 119.0° | 124.1° |
| C16 | N19 | C20 | C21 | 174.1° | 170.0° |
| N19 | C16 | C15 | H15 | 177.6° | 179.1° |
| N19 | C16 | C15 | H16 | 63.6° | 60.8° |
| N19 | C16 | H17 | H18 | 119.9° | 120.0° |
| C16 | N19 | C18 | H21 | 177.8° | 178.2° |
| C16 | N19 | C18 | H22 | 57.8° | 58.3° |
| C16 | N19 | C20 | H23 | 66.0° | 50.0° |
| C16 | N19 | C20 | H24 | 54.2° | 70.0° |
| C18 | N19 | C20 | C21 | 66.6° | 65.8° |
| C18 | N19 | C16 | H17 | 57.8° | 58.2° |
| C18 | N19 | C16 | H18 | 177.8° | 178.3° |
| N19 | C18 | C17 | H19 | 63.0° | 60.8° |
| N19 | C18 | C17 | H20 | 178.4° | 179.1° |
| N19 | C18 | H21 | H22 | 120.0° | 119.9° |
| C18 | N19 | C20 | H23 | 53.3° | 174.3° |
| C18 | N19 | C20 | H24 | 173.5° | 54.2° |
| N19 | C20 | C21 | H23 | 119.9° | 120.0° |
| N19 | C20 | C21 | H24 | 119.9° | 120.1° |
| N19 | C20 | C21 | C22 | 173.0° | 180.0° |
| C20 | N19 | C16 | H17 | 59.4° | 65.9° |
| C20 | N19 | C16 | H18 | 60.6° | 54.2° |
| C20 | N19 | C18 | H21 | 58.8° | 54.1° |
| C20 | N19 | C18 | H22 | 61.2° | 65.8° |
| N19 | C20 | H23 | H24 | 120.3° | 120.0° |
| N19 | C20 | C21 | H25 | 66.5° | 60.0° |
| N19 | C20 | C21 | H26 | 52.5° | 60.0° |
| C20 | C21 | C22 | H25 | 120.5° | 120.0° |
| C20 | C21 | C22 | H26 | 120.5° | 120.0° |
| C20 | C21 | C22 | C23 | 41.0° | 90.1° |
| C20 | C21 | C22 | C27 | 139.3° | 90.3° |
| C21 | C20 | H23 | H24 | 120.3° | 120.0° |
| C20 | C21 | H25 | H26 | 118.4° | 120.0° |
| C21 | C22 | C23 | C27 | 179.7° | 179.7° |
| C21 | C22 | C23 | C24 | 179.9° | 180.0° |
| C21 | C22 | C27 | C26 | 179.9° | 179.8° |
| C22 | C21 | C20 | H23 | 53.1° | 60.0° |
| C22 | C21 | C20 | H24 | 67.1° | 60.0° |
| C22 | C21 | H25 | H26 | 118.3° | 120.0° |
| C21 | C22 | C23 | H27 | 0.1° | 0.0° |
| C21 | C22 | C27 | H31 | 0.1° | 0.0° |
| C22 | C23 | C24 | H27 | 180.0° | 179.9° |
| C23 | C22 | C27 | C26 | 0.2° | 0.6° |
| C22 | C23 | C24 | C25 | 0.1° | 0.1° |
| C23 | C22 | C21 | H25 | 79.5° | 30.0° |
| C23 | C22 | C21 | H26 | 161.5° | 150.0° |
| C22 | C23 | C24 | H28 | 179.9° | 179.9° |
| C23 | C22 | C27 | H31 | 179.8° | 179.7° |
| C27 | C22 | C23 | C24 | 0.2° | 0.3° |
| C22 | C27 | C26 | H31 | 180.0° | 179.7° |
| C22 | C27 | C26 | C25 | 0.1° | 0.5° |
| C27 | C22 | C21 | H25 | 100.1° | 149.7° |
| C27 | C22 | C21 | H26 | 18.8° | 29.7° |
| C27 | C22 | C23 | H27 | 179.8° | 179.7° |
| C22 | C27 | C26 | H30 | 179.8° | 179.7° |
| C23 | C24 | C25 | H28 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.0° | 0.0° |
| C23 | C24 | C25 | H29 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.0° | 0.3° |
| C27 | C26 | C25 | H30 | 180.0° | 179.8° |
| C27 | C26 | C25 | H29 | 180.0° | 179.8° |
| C24 | C25 | C26 | H29 | 180.0° | 179.9° |
| C25 | C24 | C23 | H27 | 179.9° | 180.0° |
| C24 | C25 | C26 | H30 | 180.0° | 180.0° |
| C26 | C25 | C24 | H28 | 179.9° | 180.0° |
| C25 | C26 | C27 | H31 | 179.9° | 179.7° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H1 | C01 | C02 | H4 | 58.9° | 60.0° |
| H1 | C01 | C02 | H5 | 58.9° | 60.0° |
| H2 | C01 | C02 | H4 | 61.1° | 60.0° |
| H2 | C01 | C02 | H5 | 178.9° | 180.0° |
| H3 | C01 | C02 | H4 | 178.9° | 180.0° |
| H3 | C01 | C02 | H5 | 61.1° | 60.0° |
| H8 | C07 | C08 | H9 | 0.0° | 0.0° |
| H9 | C08 | C09 | H10 | 0.0° | 0.1° |
| H11 | C11 | O12 | H33 | 59.8° | 59.9° |
| H12 | C11 | O12 | H33 | 59.7° | 60.0° |
| H14 | C14 | C15 | H15 | 55.4° | 57.8° |
| H14 | C14 | C15 | H16 | 174.2° | 177.8° |
| H14 | C14 | C17 | H19 | 174.8° | 177.9° |
| H14 | C14 | C17 | H20 | 56.2° | 57.7° |
| H15 | C15 | C16 | H17 | 57.5° | 59.2° |
| H15 | C15 | C16 | H18 | 62.4° | 60.9° |
| H16 | C15 | C16 | H17 | 176.4° | 179.2° |
| H16 | C15 | C16 | H18 | 56.4° | 59.2° |
| H19 | C17 | C18 | H21 | 57.0° | 59.3° |
| H19 | C17 | C18 | H22 | 176.9° | 179.2° |
| H20 | C17 | C18 | H21 | 61.6° | 60.8° |
| H20 | C17 | C18 | H22 | 58.4° | 59.2° |
| H23 | C20 | C21 | H25 | 173.6° | 60.0° |
| H23 | C20 | C21 | H26 | 67.4° | 180.0° |
| H24 | C20 | C21 | H25 | 53.4° | 180.0° |
| H24 | C20 | C21 | H26 | 172.4° | 60.0° |
| H27 | C23 | C24 | H28 | 0.1° | 0.0° |
| H28 | C24 | C25 | H29 | 0.1° | 0.0° |
| H29 | C25 | C26 | H30 | 0.0° | 0.0° |
| H30 | C26 | C27 | H31 | 0.2° | 0.0° |
