3XQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C22 | sing | 1.43Å | 1.41Å | |
| C24 | C22 | sing | 1.53Å | 1.51Å | |
| C24 | O25 | sing | 1.43Å | 1.41Å | |
| C22 | C21 | sing | 1.53Å | 1.51Å | |
| C21 | O20 | sing | 1.45Å | 1.41Å | |
| O20 | C1 | sing | 1.34Å | 1.41Å | |
| C1 | O19 | doub | 1.21Å | 1.21Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C9 | C10 | sing | 1.53Å | 1.35Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C15 | C14 | sing | 1.53Å | 1.51Å | |
| C18 | H1 | sing | 1.09Å | 1.10Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C7 | H20 | sing | 1.09Å | 1.10Å | |
| C7 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C6 | H26 | sing | 1.09Å | 1.10Å | |
| C6 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C5 | H30 | sing | 1.09Å | 1.10Å | |
| C5 | H31 | sing | 1.09Å | 1.10Å | |
| C4 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | H33 | sing | 1.09Å | 1.10Å | |
| C3 | H34 | sing | 1.09Å | 1.10Å | |
| C3 | H35 | sing | 1.09Å | 1.10Å | |
| C2 | H36 | sing | 1.09Å | 1.10Å | |
| C2 | H37 | sing | 1.09Å | 1.10Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| C21 | H39 | sing | 1.09Å | 1.10Å | |
| C22 | H40 | sing | 1.09Å | 1.10Å | |
| O25 | H41 | sing | 0.97Å | 0.95Å | |
| O23 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | C22 | C24 | 109.0° | 109.5° |
| O23 | C22 | C21 | 109.4° | 109.5° |
| O23 | C22 | H40 | 110.6° | 109.5° |
| C22 | O23 | H42 | 109.5° | 114.0° |
| C22 | C24 | O25 | 108.7° | 109.4° |
| C24 | C22 | C21 | 109.5° | 109.4° |
| C22 | C24 | H14 | 109.7° | 109.5° |
| C22 | C24 | H15 | 109.6° | 109.5° |
| C24 | C22 | H40 | 109.1° | 109.5° |
| O25 | C24 | H14 | 109.6° | 109.5° |
| O25 | C24 | H15 | 109.7° | 109.5° |
| C24 | O25 | H41 | 109.5° | 114.0° |
| C22 | C21 | O20 | 109.8° | 109.4° |
| C22 | C21 | H38 | 109.4° | 109.4° |
| C22 | C21 | H39 | 109.4° | 109.5° |
| C21 | C22 | H40 | 109.1° | 109.4° |
| C21 | O20 | C1 | 113.1° | 117.0° |
| O20 | C21 | H38 | 109.4° | 109.5° |
| O20 | C21 | H39 | 109.4° | 109.4° |
| O20 | C1 | O19 | 118.4° | 120.0° |
| O20 | C1 | C2 | 119.3° | 120.0° |
| O19 | C1 | C2 | 118.8° | 120.0° |
| C1 | C2 | C3 | 109.7° | 109.5° |
| C1 | C2 | H36 | 109.4° | 109.5° |
| C1 | C2 | H37 | 109.4° | 109.4° |
| C2 | C3 | C4 | 109.9° | 109.5° |
| C2 | C3 | H34 | 109.4° | 109.5° |
| C2 | C3 | H35 | 109.4° | 109.5° |
| C3 | C2 | H36 | 109.4° | 109.5° |
| C3 | C2 | H37 | 109.4° | 109.5° |
| C3 | C4 | C5 | 109.3° | 109.5° |
| C3 | C4 | H32 | 109.5° | 109.5° |
| C3 | C4 | H33 | 109.5° | 109.5° |
| C4 | C3 | H34 | 109.4° | 109.4° |
| C4 | C3 | H35 | 109.3° | 109.5° |
| C4 | C5 | C6 | 109.3° | 109.5° |
| C4 | C5 | H30 | 109.5° | 109.4° |
| C4 | C5 | H31 | 109.5° | 109.5° |
| C5 | C4 | H32 | 109.5° | 109.5° |
| C5 | C4 | H33 | 109.5° | 109.5° |
| C5 | C6 | C7 | 109.4° | 109.5° |
| C5 | C6 | H26 | 109.5° | 109.5° |
| C5 | C6 | H27 | 109.5° | 109.5° |
| C6 | C5 | H30 | 109.5° | 109.4° |
| C6 | C5 | H31 | 109.5° | 109.5° |
| C6 | C7 | C8 | 109.1° | 109.5° |
| C6 | C7 | H20 | 109.5° | 109.4° |
| C6 | C7 | H21 | 109.6° | 109.5° |
| C7 | C6 | H26 | 109.5° | 109.5° |
| C7 | C6 | H27 | 109.5° | 109.5° |
| C7 | C8 | C9 | 109.2° | 109.5° |
| C7 | C8 | H12 | 109.5° | 109.5° |
| C7 | C8 | H13 | 109.5° | 109.5° |
| C8 | C7 | H20 | 109.6° | 109.4° |
| C8 | C7 | H21 | 109.6° | 109.5° |
| C8 | C9 | C10 | 120.2° | 109.5° |
| C8 | C9 | H6 | 106.7° | 109.5° |
| C8 | C9 | H7 | 106.7° | 109.5° |
| C9 | C8 | H12 | 109.5° | 109.5° |
| C9 | C8 | H13 | 109.5° | 109.4° |
| C9 | C10 | C11 | 119.7° | 109.5° |
| C9 | C10 | H4 | 106.9° | 109.5° |
| C9 | C10 | H5 | 106.8° | 109.5° |
| C10 | C9 | H6 | 106.8° | 109.4° |
| C10 | C9 | H7 | 106.7° | 109.5° |
| C18 | C17 | C16 | 109.4° | 109.5° |
| C17 | C18 | H1 | 109.5° | 109.5° |
| C17 | C18 | H2 | 109.5° | 109.5° |
| C17 | C18 | H3 | 109.5° | 109.5° |
| C18 | C17 | H8 | 109.5° | 109.5° |
| C18 | C17 | H9 | 109.5° | 109.5° |
| C10 | C11 | C12 | 109.2° | 109.5° |
| C11 | C10 | H4 | 106.8° | 109.4° |
| C11 | C10 | H5 | 106.9° | 109.4° |
| C10 | C11 | H10 | 109.5° | 109.5° |
| C10 | C11 | H11 | 109.5° | 109.5° |
| C17 | C16 | C15 | 109.6° | 109.5° |
| C16 | C17 | H8 | 109.5° | 109.5° |
| C16 | C17 | H9 | 109.5° | 109.5° |
| C17 | C16 | H16 | 109.4° | 109.5° |
| C17 | C16 | H17 | 109.4° | 109.5° |
| C16 | C15 | C14 | 109.4° | 109.5° |
| C15 | C16 | H16 | 109.4° | 109.5° |
| C15 | C16 | H17 | 109.5° | 109.5° |
| C16 | C15 | H22 | 109.5° | 109.4° |
| C16 | C15 | H23 | 109.5° | 109.5° |
| C11 | C12 | C13 | 109.3° | 109.5° |
| C12 | C11 | H10 | 109.6° | 109.4° |
| C12 | C11 | H11 | 109.5° | 109.4° |
| C11 | C12 | H18 | 109.5° | 109.4° |
| C11 | C12 | H19 | 109.5° | 109.4° |
| C12 | C13 | C14 | 109.5° | 109.5° |
| C13 | C12 | H18 | 109.5° | 109.4° |
| C13 | C12 | H19 | 109.5° | 109.5° |
| C12 | C13 | H24 | 109.5° | 109.4° |
| C12 | C13 | H25 | 109.5° | 109.5° |
| C13 | C14 | C15 | 109.1° | 109.5° |
| C14 | C13 | H24 | 109.5° | 109.5° |
| C14 | C13 | H25 | 109.5° | 109.5° |
| C13 | C14 | H28 | 109.6° | 109.5° |
| C13 | C14 | H29 | 109.6° | 109.4° |
| C14 | C15 | H22 | 109.5° | 109.5° |
| C14 | C15 | H23 | 109.5° | 109.5° |
| C15 | C14 | H28 | 109.6° | 109.5° |
| C15 | C14 | H29 | 109.6° | 109.5° |
| H1 | C18 | H2 | 109.4° | 109.4° |
| H1 | C18 | H3 | 109.5° | 109.5° |
| H2 | C18 | H3 | 109.5° | 109.5° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H6 | C9 | H7 | 109.5° | 109.5° |
| H8 | C17 | H9 | 109.5° | 109.4° |
| H10 | C11 | H11 | 109.5° | 109.4° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H14 | C24 | H15 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H20 | C7 | H21 | 109.4° | 109.5° |
| H22 | C15 | H23 | 109.5° | 109.5° |
| H24 | C13 | H25 | 109.5° | 109.4° |
| H26 | C6 | H27 | 109.5° | 109.5° |
| H28 | C14 | H29 | 109.4° | 109.5° |
| H30 | C5 | H31 | 109.5° | 109.5° |
| H32 | C4 | H33 | 109.5° | 109.5° |
| H34 | C3 | H35 | 109.5° | 109.5° |
| H36 | C2 | H37 | 109.5° | 109.5° |
| H38 | C21 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C22 | C24 | C21 | 119.7° | 120.0° |
| O23 | C22 | C24 | H40 | 121.0° | 120.1° |
| O23 | C22 | C24 | O25 | 157.6° | 65.0° |
| O23 | C22 | C21 | H40 | 121.2° | 120.0° |
| O23 | C22 | C21 | O20 | 81.8° | 65.0° |
| O23 | C22 | C24 | H14 | 37.7° | 54.9° |
| O23 | C22 | C24 | H15 | 82.5° | 175.0° |
| O23 | C22 | C21 | H38 | 158.1° | 175.0° |
| O23 | C22 | C21 | H39 | 38.2° | 54.9° |
| C22 | C24 | O25 | H14 | 119.9° | 119.9° |
| C22 | C24 | O25 | H15 | 119.9° | 120.0° |
| C24 | C22 | C21 | H40 | 119.4° | 120.0° |
| C24 | C22 | C21 | O20 | 158.7° | 175.0° |
| C22 | C24 | H14 | H15 | 120.4° | 120.0° |
| C24 | C22 | C21 | H38 | 38.7° | 55.0° |
| C24 | C22 | C21 | H39 | 81.2° | 65.0° |
| C22 | C24 | O25 | H41 | 180.0° | 179.9° |
| C24 | C22 | O23 | H42 | 180.0° | 60.0° |
| O25 | C24 | C22 | C21 | 82.7° | 175.0° |
| O25 | C24 | H14 | H15 | 120.3° | 120.1° |
| O25 | C24 | C22 | H40 | 36.7° | 55.1° |
| C22 | C21 | O20 | H38 | 120.1° | 119.9° |
| C22 | C21 | O20 | H39 | 120.0° | 120.0° |
| C22 | C21 | O20 | C1 | 168.1° | 180.0° |
| C21 | C22 | C24 | H14 | 157.4° | 65.0° |
| C21 | C22 | C24 | H15 | 37.2° | 55.0° |
| C22 | C21 | H38 | H39 | 119.8° | 120.0° |
| C21 | C22 | O23 | H42 | 60.3° | 59.9° |
| C21 | O20 | C1 | O19 | 31.8° | 0.0° |
| C21 | O20 | C1 | C2 | 126.9° | 180.0° |
| O20 | C21 | H38 | H39 | 119.8° | 120.0° |
| O20 | C21 | C22 | H40 | 39.4° | 55.0° |
| O20 | C1 | O19 | C2 | 158.8° | 180.0° |
| O20 | C1 | C2 | C3 | 161.0° | 180.0° |
| O20 | C1 | C2 | H36 | 79.0° | 60.0° |
| O20 | C1 | C2 | H37 | 41.0° | 60.0° |
| C1 | O20 | C21 | H38 | 48.0° | 60.0° |
| C1 | O20 | C21 | H39 | 71.8° | 60.0° |
| O19 | C1 | C2 | C3 | 2.4° | 0.1° |
| O19 | C1 | C2 | H36 | 122.4° | 120.0° |
| O19 | C1 | C2 | H37 | 117.6° | 120.0° |
| C1 | C2 | C3 | H36 | 120.0° | 120.0° |
| C1 | C2 | C3 | H37 | 120.0° | 119.9° |
| C1 | C2 | C3 | C4 | 137.3° | 180.0° |
| C1 | C2 | C3 | H34 | 17.2° | 60.0° |
| C1 | C2 | C3 | H35 | 102.7° | 60.1° |
| C1 | C2 | H36 | H37 | 119.9° | 120.0° |
| C2 | C3 | C4 | H34 | 120.1° | 120.0° |
| C2 | C3 | C4 | H35 | 120.0° | 120.0° |
| C2 | C3 | C4 | C5 | 124.7° | 180.0° |
| C2 | C3 | C4 | H32 | 115.3° | 60.0° |
| C2 | C3 | C4 | H33 | 4.7° | 60.0° |
| C2 | C3 | H34 | H35 | 119.8° | 120.0° |
| C3 | C2 | H36 | H37 | 119.9° | 120.0° |
| C3 | C4 | C5 | H32 | 120.0° | 120.0° |
| C3 | C4 | C5 | H33 | 120.0° | 120.0° |
| C3 | C4 | C5 | C6 | 178.0° | 180.0° |
| C3 | C4 | C5 | H30 | 62.0° | 60.1° |
| C3 | C4 | C5 | H31 | 58.0° | 60.0° |
| C3 | C4 | H32 | H33 | 120.1° | 120.0° |
| C4 | C3 | H34 | H35 | 119.8° | 120.0° |
| C4 | C3 | C2 | H36 | 102.7° | 60.0° |
| C4 | C3 | C2 | H37 | 17.3° | 60.0° |
| C4 | C5 | C6 | H30 | 120.0° | 119.9° |
| C4 | C5 | C6 | H31 | 120.0° | 120.0° |
| C4 | C5 | C6 | C7 | 81.3° | 180.0° |
| C4 | C5 | C6 | H26 | 38.7° | 60.0° |
| C4 | C5 | C6 | H27 | 158.7° | 60.0° |
| C4 | C5 | H30 | H31 | 120.1° | 120.0° |
| C5 | C4 | H32 | H33 | 120.1° | 120.0° |
| C5 | C4 | C3 | H34 | 4.6° | 60.1° |
| C5 | C4 | C3 | H35 | 115.3° | 60.0° |
| C5 | C6 | C7 | H26 | 120.0° | 120.0° |
| C5 | C6 | C7 | H27 | 120.0° | 120.0° |
| C5 | C6 | C7 | C8 | 154.0° | 180.0° |
| C5 | C6 | C7 | H20 | 34.0° | 60.1° |
| C5 | C6 | C7 | H21 | 86.0° | 60.0° |
| C5 | C6 | H26 | H27 | 120.0° | 120.0° |
| C6 | C5 | H30 | H31 | 120.1° | 120.0° |
| C6 | C5 | C4 | H32 | 58.0° | 60.0° |
| C6 | C5 | C4 | H33 | 62.0° | 60.0° |
| C6 | C7 | C8 | H20 | 119.9° | 119.9° |
| C6 | C7 | C8 | H21 | 120.0° | 120.0° |
| C6 | C7 | C8 | C9 | 104.3° | 180.0° |
| C6 | C7 | C8 | H12 | 15.7° | 60.0° |
| C6 | C7 | C8 | H13 | 135.8° | 60.0° |
| C6 | C7 | H20 | H21 | 120.1° | 120.0° |
| C7 | C6 | H26 | H27 | 120.0° | 120.0° |
| C7 | C6 | C5 | H30 | 158.7° | 60.1° |
| C7 | C6 | C5 | H31 | 38.7° | 60.0° |
| C7 | C8 | C9 | H12 | 120.0° | 120.0° |
| C7 | C8 | C9 | H13 | 120.0° | 120.0° |
| C7 | C8 | C9 | C10 | 132.7° | 180.0° |
| C7 | C8 | C9 | H6 | 11.1° | 60.0° |
| C7 | C8 | C9 | H7 | 105.8° | 60.0° |
| C7 | C8 | H12 | H13 | 120.1° | 120.0° |
| C8 | C7 | H20 | H21 | 120.2° | 120.0° |
| C8 | C7 | C6 | H26 | 86.0° | 60.0° |
| C8 | C7 | C6 | H27 | 34.0° | 60.0° |
| C8 | C9 | C10 | H6 | 121.5° | 120.0° |
| C8 | C9 | C10 | H7 | 121.5° | 120.0° |
| C8 | C9 | C10 | C11 | 140.1° | 180.0° |
| C8 | C9 | C10 | H4 | 98.4° | 60.1° |
| C8 | C9 | C10 | H5 | 18.7° | 60.0° |
| C8 | C9 | H6 | H7 | 115.2° | 120.0° |
| C9 | C8 | H12 | H13 | 120.1° | 120.0° |
| C9 | C8 | C7 | H20 | 135.8° | 60.0° |
| C9 | C8 | C7 | H21 | 15.7° | 60.0° |
| C9 | C10 | C11 | H4 | 121.4° | 120.0° |
| C9 | C10 | C11 | H5 | 121.4° | 120.0° |
| C9 | C10 | C11 | C12 | 119.8° | 180.0° |
| C9 | C10 | H4 | H5 | 115.3° | 120.1° |
| C10 | C9 | H6 | H7 | 115.2° | 120.0° |
| C9 | C10 | C11 | H10 | 0.2° | 60.0° |
| C9 | C10 | C11 | H11 | 120.3° | 60.0° |
| C10 | C9 | C8 | H12 | 107.4° | 60.0° |
| C10 | C9 | C8 | H13 | 12.7° | 60.0° |
| C18 | C17 | C16 | H8 | 120.0° | 120.0° |
| C18 | C17 | C16 | H9 | 120.0° | 120.0° |
| C18 | C17 | C16 | C15 | 128.7° | 180.0° |
| C17 | C18 | H1 | H2 | 120.0° | 120.0° |
| C17 | C18 | H1 | H3 | 120.0° | 120.0° |
| C17 | C18 | H2 | H3 | 120.0° | 120.0° |
| C18 | C17 | H8 | H9 | 120.0° | 120.0° |
| C18 | C17 | C16 | H16 | 8.6° | 60.0° |
| C18 | C17 | C16 | H17 | 111.3° | 60.0° |
| C10 | C11 | C12 | H10 | 119.9° | 120.0° |
| C10 | C11 | C12 | H11 | 119.9° | 120.0° |
| C10 | C11 | C12 | C13 | 62.5° | 180.0° |
| C11 | C10 | H4 | H5 | 115.4° | 119.9° |
| C11 | C10 | C9 | H6 | 18.6° | 60.0° |
| C11 | C10 | C9 | H7 | 98.4° | 60.0° |
| C10 | C11 | H10 | H11 | 120.1° | 120.0° |
| C10 | C11 | C12 | H18 | 177.5° | 60.0° |
| C10 | C11 | C12 | H19 | 57.4° | 60.0° |
| C17 | C16 | C15 | H16 | 120.0° | 120.0° |
| C17 | C16 | C15 | H17 | 120.0° | 120.0° |
| C17 | C16 | C15 | C14 | 148.3° | 180.0° |
| C16 | C17 | C18 | H1 | 180.0° | 60.0° |
| C16 | C17 | C18 | H2 | 60.0° | 60.0° |
| C16 | C17 | C18 | H3 | 60.0° | 180.0° |
| C16 | C17 | H8 | H9 | 120.1° | 120.0° |
| C17 | C16 | H16 | H17 | 119.9° | 120.0° |
| C17 | C16 | C15 | H22 | 91.7° | 60.0° |
| C17 | C16 | C15 | H23 | 28.3° | 60.0° |
| C16 | C15 | C14 | C13 | 56.0° | 180.0° |
| C16 | C15 | C14 | H22 | 120.0° | 120.0° |
| C16 | C15 | C14 | H23 | 120.0° | 120.0° |
| C15 | C16 | C17 | H8 | 111.4° | 60.0° |
| C15 | C16 | C17 | H9 | 8.7° | 60.0° |
| C15 | C16 | H16 | H17 | 119.9° | 120.0° |
| C16 | C15 | H22 | H23 | 120.0° | 120.0° |
| C16 | C15 | C14 | H28 | 176.0° | 60.0° |
| C16 | C15 | C14 | H29 | 63.9° | 60.0° |
| C11 | C12 | C13 | H18 | 119.9° | 120.0° |
| C11 | C12 | C13 | H19 | 120.0° | 120.0° |
| C11 | C12 | C13 | C14 | 160.8° | 180.0° |
| C12 | C11 | C10 | H4 | 118.8° | 60.0° |
| C12 | C11 | C10 | H5 | 1.7° | 60.0° |
| C12 | C11 | H10 | H11 | 120.2° | 119.9° |
| C11 | C12 | H18 | H19 | 120.1° | 119.9° |
| C11 | C12 | C13 | H24 | 40.8° | 60.0° |
| C11 | C12 | C13 | H25 | 79.2° | 59.9° |
| C12 | C13 | C14 | H24 | 120.0° | 120.0° |
| C12 | C13 | C14 | H25 | 120.0° | 120.1° |
| C12 | C13 | C14 | C15 | 146.9° | 180.0° |
| C13 | C12 | C11 | H10 | 57.4° | 60.0° |
| C13 | C12 | C11 | H11 | 177.5° | 59.9° |
| C13 | C12 | H18 | H19 | 120.1° | 120.0° |
| C12 | C13 | H24 | H25 | 120.0° | 119.9° |
| C12 | C13 | C14 | H28 | 26.9° | 59.9° |
| C12 | C13 | C14 | H29 | 93.2° | 60.1° |
| C13 | C14 | C15 | H28 | 120.0° | 120.1° |
| C13 | C14 | C15 | H29 | 120.0° | 119.9° |
| C14 | C13 | C12 | H18 | 79.2° | 60.1° |
| C14 | C13 | C12 | H19 | 40.8° | 59.9° |
| C13 | C14 | C15 | H22 | 176.1° | 60.0° |
| C13 | C14 | C15 | H23 | 63.9° | 60.1° |
| C14 | C13 | H24 | H25 | 120.0° | 120.1° |
| C13 | C14 | H28 | H29 | 120.1° | 119.9° |
| C14 | C15 | C16 | H16 | 28.3° | 60.0° |
| C14 | C15 | C16 | H17 | 91.6° | 60.0° |
| C14 | C15 | H22 | H23 | 120.0° | 120.0° |
| C15 | C14 | C13 | H24 | 93.1° | 60.0° |
| C15 | C14 | C13 | H25 | 26.9° | 59.9° |
| C15 | C14 | H28 | H29 | 120.1° | 120.0° |
| H1 | C18 | H2 | H3 | 120.0° | 120.0° |
| H1 | C18 | C17 | H8 | 60.0° | 60.1° |
| H1 | C18 | C17 | H9 | 60.0° | 180.0° |
| H2 | C18 | C17 | H8 | 60.0° | 180.0° |
| H2 | C18 | C17 | H9 | 180.0° | 60.1° |
| H3 | C18 | C17 | H8 | 180.0° | 60.0° |
| H3 | C18 | C17 | H9 | 60.0° | 60.0° |
| H4 | C10 | C9 | H6 | 140.0° | 59.9° |
| H4 | C10 | C9 | H7 | 23.1° | 180.0° |
| H4 | C10 | C11 | H10 | 121.2° | 180.0° |
| H4 | C10 | C11 | H11 | 1.1° | 60.0° |
| H5 | C10 | C9 | H6 | 102.9° | 180.0° |
| H5 | C10 | C9 | H7 | 140.2° | 60.0° |
| H5 | C10 | C11 | H10 | 121.6° | 60.1° |
| H5 | C10 | C11 | H11 | 118.2° | 180.0° |
| H6 | C9 | C8 | H12 | 131.1° | 180.0° |
| H6 | C9 | C8 | H13 | 108.8° | 60.0° |
| H7 | C9 | C8 | H12 | 14.1° | 60.0° |
| H7 | C9 | C8 | H13 | 134.2° | 180.0° |
| H8 | C17 | C16 | H16 | 128.6° | 180.0° |
| H8 | C17 | C16 | H17 | 8.7° | 60.0° |
| H9 | C17 | C16 | H16 | 111.3° | 60.0° |
| H9 | C17 | C16 | H17 | 128.7° | 180.0° |
| H10 | C11 | C12 | H18 | 62.6° | 180.0° |
| H10 | C11 | C12 | H19 | 177.4° | 60.1° |
| H11 | C11 | C12 | H18 | 57.6° | 60.0° |
| H11 | C11 | C12 | H19 | 62.5° | 180.0° |
| H12 | C8 | C7 | H20 | 104.2° | 180.0° |
| H12 | C8 | C7 | H21 | 135.7° | 60.0° |
| H13 | C8 | C7 | H20 | 15.8° | 59.9° |
| H13 | C8 | C7 | H21 | 104.3° | 179.9° |
| H14 | C24 | C22 | H40 | 83.2° | 175.0° |
| H14 | C24 | O25 | H41 | 60.1° | 60.0° |
| H15 | C24 | C22 | H40 | 156.5° | 64.9° |
| H15 | C24 | O25 | H41 | 60.1° | 60.1° |
| H16 | C16 | C15 | H22 | 148.3° | 180.0° |
| H16 | C16 | C15 | H23 | 91.7° | 60.0° |
| H17 | C16 | C15 | H22 | 28.4° | 60.0° |
| H17 | C16 | C15 | H23 | 148.4° | 180.0° |
| H18 | C12 | C13 | H24 | 160.7° | 179.9° |
| H18 | C12 | C13 | H25 | 40.7° | 60.0° |
| H19 | C12 | C13 | H24 | 79.2° | 60.0° |
| H19 | C12 | C13 | H25 | 160.8° | 180.0° |
| H20 | C7 | C6 | H26 | 154.0° | 180.0° |
| H20 | C7 | C6 | H27 | 86.0° | 59.9° |
| H21 | C7 | C6 | H26 | 33.9° | 60.0° |
| H21 | C7 | C6 | H27 | 154.0° | 180.0° |
| H22 | C15 | C14 | H28 | 64.0° | 180.0° |
| H22 | C15 | C14 | H29 | 56.1° | 59.9° |
| H23 | C15 | C14 | H28 | 56.0° | 60.0° |
| H23 | C15 | C14 | H29 | 176.1° | 180.0° |
| H24 | C13 | C14 | H28 | 146.9° | 60.0° |
| H24 | C13 | C14 | H29 | 26.8° | 180.0° |
| H25 | C13 | C14 | H28 | 93.1° | 180.0° |
| H25 | C13 | C14 | H29 | 146.8° | 60.0° |
| H26 | C6 | C5 | H30 | 81.3° | 180.0° |
| H26 | C6 | C5 | H31 | 158.7° | 60.0° |
| H27 | C6 | C5 | H30 | 38.7° | 60.0° |
| H27 | C6 | C5 | H31 | 81.3° | 180.0° |
| H30 | C5 | C4 | H32 | 178.0° | 180.0° |
| H30 | C5 | C4 | H33 | 57.9° | 59.9° |
| H31 | C5 | C4 | H32 | 62.0° | 60.0° |
| H31 | C5 | C4 | H33 | 178.0° | 180.0° |
| H32 | C4 | C3 | H34 | 124.6° | 180.0° |
| H32 | C4 | C3 | H35 | 4.7° | 60.0° |
| H33 | C4 | C3 | H34 | 115.4° | 60.0° |
| H33 | C4 | C3 | H35 | 124.8° | NaN° |
| H34 | C3 | C2 | H36 | 137.2° | 180.0° |
| H34 | C3 | C2 | H37 | 102.8° | 59.9° |
| H35 | C3 | C2 | H36 | 17.4° | 60.0° |
| H35 | C3 | C2 | H37 | 137.3° | 180.0° |
| H38 | C21 | C22 | H40 | 80.7° | 65.0° |
| H39 | C21 | C22 | H40 | 159.4° | 175.0° |
| H40 | C22 | O23 | H42 | 60.0° | 179.9° |
