QHH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C18 | doub | 1.22Å | 1.21Å | |
| O3 | C18 | sing | 1.35Å | 1.21Å | |
| C18 | C17 | sing | 1.47Å | 1.44Å | |
| C17 | C16 | sing | 1.41Å | 1.38Å | Aromatic |
| C17 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C20 | sing | 1.53Å | 1.50Å | |
| C22 | C21 | sing | 1.53Å | 1.47Å | |
| C16 | N3 | doub | 1.30Å | 1.32Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.46Å | |
| C20 | C21 | sing | 1.53Å | 1.50Å | |
| C3 | C2 | sing | 1.55Å | 1.52Å | |
| C3 | C4 | sing | 1.55Å | 1.53Å | |
| C19 | N2 | sing | 1.35Å | 1.36Å | Aromatic |
| N3 | N2 | sing | 1.40Å | 1.37Å | Aromatic |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| C4 | C5 | sing | 1.54Å | 1.53Å | |
| N2 | C15 | sing | 1.40Å | 1.42Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C5 | N1 | sing | 1.47Å | 1.48Å | |
| N1 | C1 | sing | 1.35Å | 1.35Å | |
| C15 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C1 | C10 | sing | 1.51Å | 1.51Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C28 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C13 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C26 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.08Å | 1.08Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.08Å | 1.08Å | |
| C24 | H29 | sing | 1.08Å | 1.08Å | |
| C25 | H30 | sing | 1.08Å | 1.08Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| O3 | H37 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C18 | O3 | 121.4° | 120.0° |
| O2 | C18 | C17 | 120.2° | 120.0° |
| O3 | C18 | C17 | 118.3° | 120.0° |
| C18 | O3 | H37 | 109.5° | 117.0° |
| C18 | C17 | C16 | 128.4° | 126.5° |
| C18 | C17 | C19 | 125.8° | 126.4° |
| C16 | C17 | C19 | 105.8° | 107.1° |
| C17 | C16 | N3 | 111.3° | 108.1° |
| C17 | C16 | H22 | 124.4° | 126.0° |
| C17 | C19 | C20 | 130.2° | 126.3° |
| C17 | C19 | N2 | 106.2° | 107.3° |
| C20 | C22 | C21 | 60.6° | 60.0° |
| C22 | C20 | C19 | 119.2° | 117.5° |
| C22 | C20 | C21 | 58.9° | 60.0° |
| C22 | C20 | H23 | 115.6° | 117.5° |
| C20 | C22 | H26 | 119.9° | 117.5° |
| C20 | C22 | H27 | 119.9° | 117.5° |
| C22 | C21 | C20 | 60.5° | 60.0° |
| C22 | C21 | H24 | 119.9° | 117.5° |
| C22 | C21 | H25 | 119.9° | 117.6° |
| C21 | C22 | H26 | 119.9° | 117.5° |
| C21 | C22 | H27 | 119.9° | 117.5° |
| C16 | N3 | N2 | 106.0° | 108.9° |
| N3 | C16 | H22 | 124.3° | 125.9° |
| C19 | C20 | C21 | 119.0° | 117.5° |
| C20 | C19 | N2 | 123.6° | 126.3° |
| C19 | C20 | H23 | 116.3° | 115.6° |
| C21 | C20 | H23 | 115.6° | 117.5° |
| C20 | C21 | H24 | 119.9° | 117.5° |
| C20 | C21 | H25 | 119.9° | 117.6° |
| C2 | C3 | C4 | 102.1° | 101.6° |
| C3 | C2 | N1 | 102.8° | 104.8° |
| C3 | C2 | H1 | 111.1° | 110.4° |
| C3 | C2 | H2 | 111.1° | 110.4° |
| C2 | C3 | H3 | 111.3° | 111.0° |
| C2 | C3 | H4 | 111.3° | 111.0° |
| C3 | C4 | C5 | 102.1° | 102.9° |
| C4 | C3 | H3 | 111.3° | 111.0° |
| C4 | C3 | H4 | 111.3° | 111.0° |
| C3 | C4 | H5 | 111.2° | 110.7° |
| C3 | C4 | H6 | 111.3° | 110.7° |
| C19 | N2 | N3 | 110.6° | 108.5° |
| C19 | N2 | C15 | 130.1° | 125.7° |
| N3 | N2 | C15 | 119.3° | 125.8° |
| C2 | N1 | C5 | 112.2° | 108.7° |
| C2 | N1 | C1 | 125.4° | 125.6° |
| N1 | C2 | H1 | 111.1° | 110.4° |
| N1 | C2 | H2 | 111.1° | 110.3° |
| C4 | C5 | C6 | 112.3° | 109.8° |
| C4 | C5 | N1 | 100.3° | 107.3° |
| C5 | C4 | H5 | 111.3° | 110.8° |
| C5 | C4 | H6 | 111.3° | 110.8° |
| C4 | C5 | H7 | 109.9° | 109.9° |
| N2 | C15 | C14 | 119.2° | 120.1° |
| N2 | C15 | C23 | 120.2° | 120.0° |
| C7 | C6 | C5 | 113.8° | 109.5° |
| C6 | C7 | C8 | 114.2° | 109.4° |
| C7 | C6 | H9 | 108.4° | 109.5° |
| C7 | C6 | H8 | 108.4° | 109.5° |
| C6 | C7 | H10 | 108.3° | 109.5° |
| C6 | C7 | H11 | 108.3° | 109.5° |
| C6 | C5 | N1 | 113.4° | 109.9° |
| C6 | C5 | H7 | 110.0° | 110.0° |
| C5 | C6 | H9 | 108.4° | 109.4° |
| C5 | C6 | H8 | 108.4° | 109.5° |
| C7 | C8 | C9 | 113.1° | 109.5° |
| C8 | C7 | H10 | 108.3° | 109.4° |
| C8 | C7 | H11 | 108.2° | 109.4° |
| C7 | C8 | H12 | 108.5° | 109.4° |
| C7 | C8 | H13 | 108.6° | 109.5° |
| C5 | N1 | C1 | 122.1° | 125.7° |
| N1 | C5 | H7 | 110.7° | 109.9° |
| N1 | C1 | C10 | 119.1° | 120.1° |
| N1 | C1 | O1 | 119.9° | 120.0° |
| C14 | C15 | C23 | 120.6° | 119.9° |
| C15 | C14 | C13 | 120.7° | 119.9° |
| C15 | C14 | H21 | 119.7° | 120.0° |
| C15 | C23 | C24 | 119.1° | 119.9° |
| C15 | C23 | H28 | 120.4° | 120.1° |
| C14 | C13 | C12 | 119.5° | 119.9° |
| C14 | C13 | C25 | 118.7° | 120.1° |
| C13 | C14 | H21 | 119.6° | 120.1° |
| C9 | C8 | H12 | 108.6° | 109.5° |
| C9 | C8 | H13 | 108.5° | 109.5° |
| C8 | C9 | H16 | 109.5° | 109.5° |
| C8 | C9 | H14 | 109.5° | 109.5° |
| C8 | C9 | H15 | 109.5° | 109.5° |
| C10 | C1 | O1 | 120.9° | 120.0° |
| C1 | C10 | C11 | 110.4° | 109.5° |
| C1 | C10 | C28 | 111.3° | 109.4° |
| C1 | C10 | H17 | 108.6° | 109.5° |
| C11 | C10 | C28 | 109.7° | 109.5° |
| C10 | C11 | C12 | 110.2° | 109.5° |
| C11 | C10 | H17 | 108.5° | 109.5° |
| C10 | C11 | H19 | 109.3° | 109.5° |
| C10 | C11 | H18 | 109.3° | 109.4° |
| C10 | C28 | C27 | 111.5° | 109.4° |
| C28 | C10 | H17 | 108.4° | 109.5° |
| C10 | C28 | H35 | 109.0° | 109.4° |
| C10 | C28 | H36 | 109.0° | 109.5° |
| C23 | C24 | C25 | 120.2° | 120.1° |
| C24 | C23 | H28 | 120.4° | 120.0° |
| C23 | C24 | H29 | 119.9° | 120.0° |
| C11 | C12 | C13 | 112.2° | 109.4° |
| C11 | C12 | C26 | 108.9° | 109.5° |
| C12 | C11 | H19 | 109.3° | 109.5° |
| C12 | C11 | H18 | 109.3° | 109.5° |
| C11 | C12 | H20 | 106.7° | 109.5° |
| C12 | C13 | C25 | 121.9° | 120.0° |
| C13 | C12 | C26 | 114.8° | 109.4° |
| C13 | C12 | H20 | 106.9° | 109.5° |
| C13 | C25 | C24 | 120.7° | 120.1° |
| C13 | C25 | H30 | 119.6° | 119.9° |
| C12 | C26 | C27 | 110.7° | 109.5° |
| C26 | C12 | H20 | 106.8° | 109.5° |
| C12 | C26 | H31 | 109.2° | 109.5° |
| C12 | C26 | H32 | 109.1° | 109.5° |
| C25 | C24 | H29 | 119.9° | 119.9° |
| C24 | C25 | H30 | 119.7° | 120.0° |
| C28 | C27 | C26 | 111.0° | 109.5° |
| C28 | C27 | H34 | 109.1° | 109.5° |
| C28 | C27 | H33 | 109.1° | 109.5° |
| C27 | C28 | H35 | 109.0° | 109.5° |
| C27 | C28 | H36 | 109.0° | 109.5° |
| C27 | C26 | H31 | 109.1° | 109.4° |
| C27 | C26 | H32 | 109.2° | 109.5° |
| C26 | C27 | H34 | 109.1° | 109.5° |
| C26 | C27 | H33 | 109.1° | 109.4° |
| H19 | C11 | H18 | 109.5° | 109.5° |
| H1 | C2 | H2 | 109.4° | 110.3° |
| H24 | C21 | H25 | 109.5° | 115.5° |
| H26 | C22 | H27 | 109.4° | 115.6° |
| H31 | C26 | H32 | 109.5° | 109.5° |
| H34 | C27 | H33 | 109.4° | 109.4° |
| H35 | C28 | H36 | 109.4° | 109.5° |
| H3 | C3 | H4 | 109.4° | 110.9° |
| H5 | C4 | H6 | 109.5° | 110.8° |
| H9 | C6 | H8 | 109.5° | 109.4° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H16 | C9 | H14 | 109.5° | 109.5° |
| H16 | C9 | H15 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C18 | O3 | C17 | 178.2° | 179.9° |
| O2 | C18 | C17 | C16 | 13.8° | 174.5° |
| O2 | C18 | C17 | C19 | 165.2° | 5.6° |
| O2 | C18 | O3 | H37 | 0.0° | 0.1° |
| O3 | C18 | C17 | C16 | 164.4° | 5.4° |
| O3 | C18 | C17 | C19 | 16.5° | 174.5° |
| C18 | C17 | C16 | C19 | 179.2° | 179.9° |
| C18 | C17 | C16 | N3 | 179.6° | 180.0° |
| C18 | C17 | C19 | C20 | 0.1° | 0.1° |
| C18 | C17 | C19 | N2 | 179.7° | 180.0° |
| C18 | C17 | C16 | H22 | 0.4° | 0.2° |
| C17 | C18 | O3 | H37 | 178.3° | 180.0° |
| C17 | C16 | N3 | H22 | 180.0° | 179.8° |
| C16 | C17 | C19 | C20 | 179.2° | 180.0° |
| C16 | C17 | C19 | N2 | 0.5° | 0.0° |
| C17 | C16 | N3 | N2 | 0.1° | 0.0° |
| C17 | C19 | C20 | C22 | 61.2° | 49.5° |
| C19 | C17 | C16 | N3 | 0.4° | 0.0° |
| C17 | C19 | C20 | N2 | 179.6° | 179.9° |
| C17 | C19 | C20 | C21 | 129.7° | 118.1° |
| C17 | C19 | N2 | N3 | 0.5° | 0.0° |
| C17 | C19 | N2 | C15 | 179.7° | 180.0° |
| C19 | C17 | C16 | H22 | 179.6° | 179.7° |
| C17 | C19 | C20 | H23 | 84.8° | 96.2° |
| C20 | C22 | C21 | H26 | 109.6° | 107.5° |
| C20 | C22 | C21 | H27 | 109.6° | 107.5° |
| C22 | C20 | C19 | C21 | 68.5° | 68.6° |
| C22 | C20 | C19 | H23 | 146.0° | 145.7° |
| C22 | C20 | C21 | H23 | 105.7° | 107.5° |
| C22 | C20 | C19 | N2 | 118.5° | 130.6° |
| C20 | C22 | C21 | H24 | 109.6° | 107.5° |
| C20 | C22 | C21 | H25 | 109.6° | 107.5° |
| C20 | C22 | H26 | H27 | 144.4° | 145.8° |
| C22 | C21 | H24 | H25 | 144.5° | 145.7° |
| C21 | C22 | H26 | H27 | 144.4° | 145.6° |
| C16 | N3 | N2 | C19 | 0.2° | 0.0° |
| C16 | N3 | N2 | C15 | 179.9° | 180.0° |
| C19 | C20 | C21 | H23 | 145.7° | 145.1° |
| C20 | C19 | N2 | N3 | 179.2° | 180.0° |
| C20 | C19 | N2 | C15 | 0.6° | 0.0° |
| C19 | C20 | C21 | H24 | 141.8° | 0.1° |
| C19 | C20 | C21 | H25 | 1.0° | 145.0° |
| C19 | C20 | C22 | H26 | 142.2° | 145.1° |
| C19 | C20 | C22 | H27 | 1.5° | 0.0° |
| C21 | C20 | C19 | N2 | 50.0° | 62.0° |
| C20 | C21 | H24 | H25 | 144.5° | 145.6° |
| C2 | C3 | C4 | H3 | 118.8° | 118.1° |
| C2 | C3 | C4 | H4 | 118.8° | 118.1° |
| C3 | C2 | N1 | H1 | 118.9° | 118.9° |
| C3 | C2 | N1 | H2 | 118.9° | 118.9° |
| C2 | C3 | C4 | C5 | 45.1° | 35.5° |
| C3 | C2 | N1 | C5 | 6.9° | 24.0° |
| C3 | C2 | N1 | C1 | 179.8° | 155.8° |
| C3 | C2 | H1 | H2 | 123.1° | 122.3° |
| C2 | C3 | H3 | H4 | 123.4° | 123.8° |
| C2 | C3 | C4 | H5 | 163.9° | 82.9° |
| C2 | C3 | C4 | H6 | 73.7° | 153.9° |
| C4 | C3 | C2 | N1 | 31.7° | 37.0° |
| C3 | C4 | C5 | H5 | 118.8° | 118.3° |
| C3 | C4 | C5 | H6 | 118.8° | 118.4° |
| C3 | C4 | C5 | C6 | 81.1° | 141.6° |
| C3 | C4 | C5 | N1 | 39.6° | 22.2° |
| C4 | C3 | C2 | H1 | 87.2° | 155.8° |
| C4 | C3 | C2 | H2 | 150.7° | 81.9° |
| C4 | C3 | H3 | H4 | 123.4° | 123.9° |
| C3 | C4 | H5 | H6 | 123.4° | 123.2° |
| C3 | C4 | C5 | H7 | 156.1° | 97.3° |
| C19 | N2 | N3 | C15 | 179.9° | 180.0° |
| C19 | N2 | C15 | C14 | 46.0° | 138.8° |
| C19 | N2 | C15 | C23 | 133.8° | 41.3° |
| N2 | C19 | C20 | H23 | 95.5° | 83.7° |
| N3 | N2 | C15 | C14 | 134.1° | 41.2° |
| N3 | N2 | C15 | C23 | 46.1° | 138.8° |
| N2 | N3 | C16 | H22 | 179.8° | 179.8° |
| C2 | N1 | C5 | C4 | 20.5° | 1.0° |
| C2 | N1 | C5 | C6 | 99.4° | 118.4° |
| C2 | N1 | C5 | C1 | 173.5° | 179.9° |
| C2 | N1 | C1 | C10 | 130.4° | 4.6° |
| C2 | N1 | C1 | O1 | 46.3° | 175.7° |
| N1 | C2 | H1 | H2 | 123.1° | 122.2° |
| N1 | C2 | C3 | H3 | 87.1° | 155.1° |
| N1 | C2 | C3 | H4 | 150.6° | 81.1° |
| C2 | N1 | C5 | H7 | 136.6° | 120.4° |
| C4 | C5 | C6 | C7 | 73.8° | 62.6° |
| C4 | C5 | C6 | N1 | 112.8° | 117.8° |
| C4 | C5 | C6 | H7 | 122.7° | 121.1° |
| C4 | C5 | N1 | H7 | 116.0° | 119.5° |
| C4 | C5 | N1 | C1 | 153.0° | 178.9° |
| C5 | C4 | C3 | H3 | 73.7° | 153.6° |
| C5 | C4 | C3 | H4 | 163.9° | 82.6° |
| C5 | C4 | H5 | H6 | 123.4° | 123.3° |
| C4 | C5 | C6 | H9 | 46.9° | 177.4° |
| C4 | C5 | C6 | H8 | 165.6° | 57.5° |
| N2 | C15 | C14 | C23 | 179.8° | 180.0° |
| N2 | C15 | C14 | C13 | 179.8° | 180.0° |
| N2 | C15 | C23 | C24 | 179.9° | 180.0° |
| N2 | C15 | C14 | H21 | 0.2° | 0.0° |
| N2 | C15 | C23 | H28 | 0.1° | 0.0° |
| C7 | C6 | C5 | H9 | 120.7° | 120.0° |
| C7 | C6 | C5 | H8 | 120.6° | 120.1° |
| C6 | C7 | C8 | H10 | 120.7° | 120.0° |
| C6 | C7 | C8 | H11 | 120.7° | 120.0° |
| C7 | C6 | C5 | N1 | 173.4° | 179.6° |
| C6 | C7 | C8 | C9 | 80.9° | 180.0° |
| C7 | C6 | C5 | H7 | 48.9° | 58.4° |
| C7 | C6 | H9 | H8 | 118.0° | 120.1° |
| C6 | C7 | H10 | H11 | 117.8° | 120.1° |
| C6 | C7 | C8 | H12 | 158.6° | 60.0° |
| C6 | C7 | C8 | H13 | 39.6° | 60.0° |
| C5 | C6 | C7 | C8 | 80.3° | 175.1° |
| C6 | C5 | N1 | H7 | 124.1° | 121.2° |
| C6 | C5 | N1 | C1 | 87.1° | 61.8° |
| C6 | C5 | C4 | H5 | 37.7° | 23.3° |
| C6 | C5 | C4 | H6 | 160.1° | 100.0° |
| C5 | C6 | H9 | H8 | 118.0° | 119.9° |
| C5 | C6 | C7 | H10 | 159.0° | 55.2° |
| C5 | C6 | C7 | H11 | 40.4° | 64.9° |
| C7 | C8 | C9 | H12 | 120.5° | 120.0° |
| C7 | C8 | C9 | H13 | 120.5° | 120.0° |
| C8 | C7 | C6 | H9 | 159.1° | 64.9° |
| C8 | C7 | C6 | H8 | 40.4° | 55.1° |
| C8 | C7 | H10 | H11 | 117.8° | 120.0° |
| C7 | C8 | H12 | H13 | 118.4° | 120.0° |
| C7 | C8 | C9 | H16 | 180.0° | 60.0° |
| C7 | C8 | C9 | H14 | 60.0° | 60.0° |
| C7 | C8 | C9 | H15 | 60.0° | 180.0° |
| C5 | N1 | C1 | C10 | 57.0° | 175.2° |
| C5 | N1 | C1 | O1 | 126.4° | 4.5° |
| C5 | N1 | C2 | H1 | 112.0° | 142.9° |
| C5 | N1 | C2 | H2 | 125.9° | 94.9° |
| N1 | C5 | C4 | H5 | 158.4° | 96.1° |
| N1 | C5 | C4 | H6 | 79.2° | 140.6° |
| N1 | C5 | C6 | H9 | 65.9° | 59.6° |
| N1 | C5 | C6 | H8 | 52.8° | 60.3° |
| N1 | C1 | C10 | O1 | 176.6° | 179.7° |
| N1 | C1 | C10 | C11 | 124.1° | 179.7° |
| N1 | C1 | C10 | C28 | 113.9° | 60.3° |
| N1 | C1 | C10 | H17 | 5.3° | 59.7° |
| C1 | N1 | C2 | H1 | 61.2° | 37.0° |
| C1 | N1 | C2 | H2 | 60.9° | 85.3° |
| C1 | N1 | C5 | H7 | 36.9° | 59.4° |
| C15 | C14 | C13 | H21 | 180.0° | 180.0° |
| C14 | C15 | C23 | C24 | 0.3° | 0.0° |
| C15 | C14 | C13 | C12 | 179.6° | 180.0° |
| C15 | C14 | C13 | C25 | 0.3° | 0.3° |
| C14 | C15 | C23 | H28 | 179.7° | 180.0° |
| C23 | C15 | C14 | C13 | 0.4° | 0.0° |
| C15 | C23 | C24 | H28 | 180.0° | 180.0° |
| C15 | C23 | C24 | C25 | 0.1° | 0.3° |
| C23 | C15 | C14 | H21 | 179.6° | 180.0° |
| C15 | C23 | C24 | H29 | 179.9° | 179.9° |
| C14 | C13 | C12 | C11 | 76.4° | 120.3° |
| C14 | C13 | C12 | C25 | 179.9° | 179.7° |
| C14 | C13 | C12 | C26 | 158.5° | 119.7° |
| C14 | C13 | C25 | C24 | 0.1° | 0.6° |
| C14 | C13 | C12 | H20 | 40.3° | 0.3° |
| C14 | C13 | C25 | H30 | 179.9° | 179.7° |
| C9 | C8 | C7 | H10 | 39.8° | 60.0° |
| C9 | C8 | C7 | H11 | 158.4° | 60.0° |
| C9 | C8 | H12 | H13 | 118.4° | 120.0° |
| C8 | C9 | H16 | H14 | 120.0° | 120.0° |
| C8 | C9 | H16 | H15 | 120.0° | 120.1° |
| C8 | C9 | H14 | H15 | 120.0° | 120.0° |
| C1 | C10 | C11 | C28 | 122.9° | 119.9° |
| C1 | C10 | C11 | H17 | 118.8° | 120.1° |
| C1 | C10 | C28 | H17 | 119.3° | 120.0° |
| C1 | C10 | C11 | C12 | 177.0° | 180.0° |
| C1 | C10 | C28 | C27 | 179.1° | 180.0° |
| C1 | C10 | C11 | H19 | 62.8° | 60.0° |
| C1 | C10 | C11 | H18 | 56.9° | 60.0° |
| C1 | C10 | C28 | H35 | 60.6° | 60.0° |
| C1 | C10 | C28 | H36 | 58.8° | 60.0° |
| O1 | C1 | C10 | C11 | 52.6° | 0.0° |
| O1 | C1 | C10 | C28 | 69.4° | 120.0° |
| O1 | C1 | C10 | H17 | 171.3° | 120.0° |
| C11 | C10 | C28 | H17 | 118.3° | 120.0° |
| C10 | C11 | C12 | H19 | 120.1° | 120.0° |
| C10 | C11 | C12 | H18 | 120.1° | 120.0° |
| C10 | C11 | C12 | C13 | 170.8° | 180.0° |
| C10 | C11 | C12 | C26 | 60.9° | 60.0° |
| C11 | C10 | C28 | C27 | 56.7° | 60.0° |
| C10 | C11 | H19 | H18 | 119.7° | 120.0° |
| C10 | C11 | C12 | H20 | 54.0° | 60.0° |
| C11 | C10 | C28 | H35 | 177.0° | 180.0° |
| C11 | C10 | C28 | H36 | 63.6° | 60.0° |
| C28 | C10 | C11 | C12 | 60.0° | 60.0° |
| C10 | C28 | C27 | H35 | 120.3° | 119.9° |
| C10 | C28 | C27 | H36 | 120.3° | 120.0° |
| C10 | C28 | C27 | C26 | 54.7° | 60.0° |
| C28 | C10 | C11 | H19 | 60.1° | 60.0° |
| C28 | C10 | C11 | H18 | 179.9° | 180.0° |
| C10 | C28 | C27 | H34 | 65.6° | 180.0° |
| C10 | C28 | C27 | H33 | 174.9° | 60.0° |
| C10 | C28 | H35 | H36 | 119.1° | 120.0° |
| C23 | C24 | C25 | C13 | 0.0° | 0.6° |
| C23 | C24 | C25 | H29 | 180.0° | 179.7° |
| C23 | C24 | C25 | H30 | 180.0° | 179.7° |
| C11 | C12 | C13 | C26 | 125.1° | 120.0° |
| C11 | C12 | C13 | H20 | 116.7° | 120.0° |
| C11 | C12 | C13 | C25 | 103.8° | 60.0° |
| C11 | C12 | C26 | H20 | 114.9° | 120.0° |
| C11 | C12 | C26 | C27 | 58.4° | 60.0° |
| C12 | C11 | C10 | H17 | 58.2° | 60.0° |
| C12 | C11 | H19 | H18 | 119.7° | 120.0° |
| C11 | C12 | C26 | H31 | 61.8° | 60.0° |
| C11 | C12 | C26 | H32 | 178.6° | 180.0° |
| C13 | C12 | C26 | H20 | 118.3° | 120.0° |
| C12 | C13 | C25 | C24 | 179.8° | 179.7° |
| C13 | C12 | C26 | C27 | 174.9° | 179.9° |
| C13 | C12 | C11 | H19 | 69.1° | 60.0° |
| C13 | C12 | C11 | H18 | 50.7° | 60.1° |
| C12 | C13 | C14 | H21 | 0.4° | 0.0° |
| C12 | C13 | C25 | H30 | 0.2° | 0.0° |
| C13 | C12 | C26 | H31 | 65.0° | 60.0° |
| C13 | C12 | C26 | H32 | 54.6° | 60.0° |
| C25 | C13 | C12 | C26 | 21.3° | 60.0° |
| C13 | C25 | C24 | H30 | 180.0° | 179.7° |
| C25 | C13 | C12 | H20 | 139.6° | 180.0° |
| C25 | C13 | C14 | H21 | 179.7° | 179.7° |
| C13 | C25 | C24 | H29 | 180.0° | 179.7° |
| C12 | C26 | C27 | C28 | 55.6° | 60.0° |
| C12 | C26 | C27 | H31 | 120.2° | 120.0° |
| C12 | C26 | C27 | H32 | 120.2° | 120.0° |
| C26 | C12 | C11 | H19 | 59.2° | 60.0° |
| C26 | C12 | C11 | H18 | 179.0° | 180.0° |
| C12 | C26 | H31 | H32 | 119.4° | 120.0° |
| C12 | C26 | C27 | H34 | 64.7° | 180.0° |
| C12 | C26 | C27 | H33 | 175.8° | 60.0° |
| C25 | C24 | C23 | H28 | 179.9° | 179.7° |
| C28 | C27 | C26 | H34 | 120.2° | 120.0° |
| C28 | C27 | C26 | H33 | 120.3° | 120.0° |
| C27 | C28 | C10 | H17 | 61.5° | 60.0° |
| C28 | C27 | C26 | H31 | 64.6° | 60.0° |
| C28 | C27 | C26 | H32 | 175.8° | 180.0° |
| C28 | C27 | H34 | H33 | 119.3° | 120.0° |
| C27 | C28 | H35 | H36 | 119.1° | 120.0° |
| C27 | C26 | C12 | H20 | 56.5° | 60.0° |
| C27 | C26 | H31 | H32 | 119.4° | 120.0° |
| C26 | C27 | H34 | H33 | 119.3° | 119.9° |
| C26 | C27 | C28 | H35 | 175.0° | 179.9° |
| C26 | C27 | C28 | H36 | 65.6° | 60.0° |
| H17 | C10 | C11 | H19 | 178.3° | 180.0° |
| H17 | C10 | C11 | H18 | 61.9° | 60.0° |
| H17 | C10 | C28 | H35 | 58.8° | 60.0° |
| H17 | C10 | C28 | H36 | 178.2° | 180.0° |
| H19 | C11 | C12 | H20 | 174.1° | 180.0° |
| H18 | C11 | C12 | H20 | 66.1° | 60.0° |
| H20 | C12 | C26 | H31 | 176.7° | 180.0° |
| H20 | C12 | C26 | H32 | 63.7° | 60.0° |
| H1 | C2 | C3 | H3 | 154.0° | 86.0° |
| H1 | C2 | C3 | H4 | 31.6° | 37.7° |
| H2 | C2 | C3 | H3 | 31.8° | 36.2° |
| H2 | C2 | C3 | H4 | 90.5° | 160.0° |
| H23 | C20 | C21 | H24 | 3.9° | 145.0° |
| H23 | C20 | C21 | H25 | 144.7° | 0.1° |
| H23 | C20 | C22 | H26 | 4.0° | 0.0° |
| H23 | C20 | C22 | H27 | 144.7° | 145.1° |
| H24 | C21 | C22 | H26 | 0.1° | 145.0° |
| H24 | C21 | C22 | H27 | 140.8° | 0.0° |
| H25 | C21 | C22 | H26 | 140.8° | 0.0° |
| H25 | C21 | C22 | H27 | 0.0° | 145.0° |
| H28 | C23 | C24 | H29 | 0.1° | 0.0° |
| H29 | C24 | C25 | H30 | 0.0° | 0.0° |
| H31 | C26 | C27 | H34 | 175.1° | 60.0° |
| H31 | C26 | C27 | H33 | 55.6° | 180.0° |
| H32 | C26 | C27 | H34 | 55.5° | 60.0° |
| H32 | C26 | C27 | H33 | 64.0° | 60.0° |
| H34 | C27 | C28 | H35 | 54.8° | 60.0° |
| H34 | C27 | C28 | H36 | 174.1° | 60.0° |
| H33 | C27 | C28 | H35 | 64.8° | 60.0° |
| H33 | C27 | C28 | H36 | 54.6° | 180.0° |
| H3 | C3 | C4 | H5 | 45.1° | 35.2° |
| H3 | C3 | C4 | H6 | 167.5° | 88.0° |
| H4 | C3 | C4 | H5 | 77.2° | 159.0° |
| H4 | C3 | C4 | H6 | 45.1° | 35.8° |
| H5 | C4 | C5 | H7 | 85.1° | 144.4° |
| H6 | C4 | C5 | H7 | 37.3° | 21.1° |
| H7 | C5 | C6 | H9 | 169.6° | 61.6° |
| H7 | C5 | C6 | H8 | 71.7° | 178.5° |
| H9 | C6 | C7 | H10 | 38.4° | 175.1° |
| H9 | C6 | C7 | H11 | 80.2° | 55.1° |
| H8 | C6 | C7 | H10 | 80.3° | 64.9° |
| H8 | C6 | C7 | H11 | 161.1° | 175.1° |
| H10 | C7 | C8 | H12 | 80.7° | 179.9° |
| H10 | C7 | C8 | H13 | 160.3° | 60.0° |
| H11 | C7 | C8 | H12 | 37.9° | 60.0° |
| H11 | C7 | C8 | H13 | 81.1° | 180.0° |
| H12 | C8 | C9 | H16 | 59.5° | 180.0° |
| H12 | C8 | C9 | H14 | 179.5° | 60.0° |
| H12 | C8 | C9 | H15 | 60.5° | 60.0° |
| H13 | C8 | C9 | H16 | 59.5° | 60.0° |
| H13 | C8 | C9 | H14 | 60.5° | 180.0° |
| H13 | C8 | C9 | H15 | 179.5° | 60.0° |
| H16 | C9 | H14 | H15 | 120.0° | 120.0° |
