3QS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | N10 | sing | 1.33Å | 1.34Å | Aromatic |
| N15 | C13 | sing | 1.39Å | 1.39Å | |
| N15 | C16 | sing | 1.39Å | 1.40Å | |
| N29 | C16 | doub | 1.33Å | 1.33Å | Aromatic |
| N29 | C28 | sing | 1.32Å | 1.33Å | Aromatic |
| C13 | N14 | doub | 1.33Å | 1.34Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| N10 | C9 | doub | 1.32Å | 1.33Å | Aromatic |
| N14 | C9 | sing | 1.32Å | 1.34Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.41Å | 1.42Å | Aromatic |
| C19 | C20 | sing | 1.46Å | 1.47Å | Aromatic |
| C9 | N6 | sing | 1.38Å | 1.39Å | |
| C18 | N22 | sing | 1.37Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.34Å | 1.34Å | Aromatic |
| C5 | N6 | sing | 1.47Å | 1.49Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| N6 | C7 | sing | 1.47Å | 1.48Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| N22 | C21 | sing | 1.37Å | 1.38Å | Aromatic |
| N22 | C23 | sing | 1.47Å | 1.47Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | C3 | sing | 1.53Å | 1.54Å | |
| C23 | C27 | sing | 1.54Å | 1.54Å | |
| C23 | C24 | sing | 1.54Å | 1.55Å | |
| C3 | O2 | sing | 1.43Å | 1.43Å | |
| C27 | C26 | sing | 1.54Å | 1.55Å | |
| O2 | C1 | sing | 1.43Å | 1.43Å | |
| C24 | C25 | sing | 1.55Å | 1.56Å | |
| C26 | C25 | sing | 1.55Å | 1.56Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| N15 | H15 | sing | 0.97Å | 1.00Å | |
| C17 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 118.8° | 118.5° |
| C12 | C11 | N10 | 119.0° | 119.3° |
| C12 | C11 | H5 | 120.5° | 120.4° |
| C11 | C12 | H10 | 120.6° | 120.8° |
| C12 | C13 | N15 | 116.9° | 120.5° |
| C12 | C13 | N14 | 119.0° | 119.0° |
| C13 | C12 | H10 | 120.6° | 120.7° |
| C11 | N10 | C9 | 121.5° | 120.9° |
| N10 | C11 | H5 | 120.5° | 120.3° |
| C13 | N15 | C16 | 127.5° | 120.0° |
| N15 | C13 | N14 | 124.1° | 120.5° |
| C13 | N15 | H15 | 116.2° | 120.0° |
| N15 | C16 | N29 | 116.7° | 119.3° |
| N15 | C16 | C17 | 122.5° | 119.3° |
| C16 | N15 | H15 | 116.2° | 120.0° |
| C16 | N29 | C28 | 121.9° | 122.2° |
| N29 | C16 | C17 | 120.8° | 121.3° |
| N29 | C28 | C19 | 120.4° | 120.2° |
| N29 | C28 | H28 | 119.8° | 119.9° |
| C13 | N14 | C9 | 120.5° | 120.6° |
| C16 | C17 | C18 | 119.6° | 118.8° |
| C16 | C17 | H16 | 120.2° | 120.6° |
| C28 | C19 | C18 | 119.1° | 119.3° |
| C28 | C19 | C20 | 135.2° | 134.8° |
| C19 | C28 | H28 | 119.8° | 119.9° |
| N10 | C9 | N14 | 121.2° | 121.6° |
| N10 | C9 | N6 | 117.5° | 119.2° |
| N14 | C9 | N6 | 121.3° | 119.2° |
| C17 | C18 | C19 | 118.2° | 118.2° |
| C17 | C18 | N22 | 134.2° | 134.6° |
| C18 | C17 | H16 | 120.2° | 120.6° |
| C18 | C19 | C20 | 105.7° | 105.9° |
| C19 | C18 | N22 | 107.6° | 107.2° |
| C19 | C20 | C21 | 107.1° | 107.0° |
| C19 | C20 | H17 | 126.5° | 126.5° |
| C9 | N6 | C5 | 117.7° | 111.0° |
| C9 | N6 | C7 | 118.0° | 111.0° |
| C18 | N22 | C21 | 109.1° | 109.9° |
| C18 | N22 | C23 | 124.2° | 125.0° |
| C20 | C21 | N22 | 110.4° | 110.0° |
| C21 | C20 | H17 | 126.4° | 126.6° |
| C20 | C21 | H18 | 124.8° | 124.9° |
| N6 | C5 | C4 | 113.2° | 109.5° |
| C5 | N6 | C7 | 119.8° | 111.2° |
| N6 | C5 | H3 | 108.5° | 109.4° |
| N6 | C5 | H4 | 108.5° | 109.5° |
| C5 | C4 | C3 | 109.2° | 109.3° |
| C5 | C4 | H1 | 109.5° | 109.5° |
| C5 | C4 | H2 | 109.6° | 109.5° |
| C4 | C5 | H3 | 108.5° | 109.5° |
| C4 | C5 | H4 | 108.5° | 109.5° |
| N6 | C7 | C8 | 110.0° | 109.5° |
| N6 | C7 | H6 | 109.3° | 109.5° |
| N6 | C7 | H7 | 109.3° | 109.4° |
| C4 | C3 | C8 | 109.1° | 109.1° |
| C4 | C3 | O2 | 111.6° | 109.5° |
| C3 | C4 | H1 | 109.6° | 109.5° |
| C3 | C4 | H2 | 109.5° | 109.5° |
| C4 | C3 | H11 | 108.1° | 109.6° |
| C21 | N22 | C23 | 126.6° | 125.1° |
| N22 | C21 | H18 | 124.8° | 125.1° |
| N22 | C23 | C27 | 114.5° | 110.1° |
| N22 | C23 | C24 | 108.1° | 110.0° |
| N22 | C23 | H19 | 111.2° | 110.1° |
| C7 | C8 | C3 | 106.6° | 109.3° |
| C8 | C7 | H6 | 109.3° | 109.5° |
| C8 | C7 | H7 | 109.3° | 109.5° |
| C7 | C8 | H8 | 110.2° | 109.5° |
| C7 | C8 | H9 | 110.2° | 109.5° |
| C8 | C3 | O2 | 110.4° | 109.5° |
| C3 | C8 | H8 | 110.2° | 109.5° |
| C3 | C8 | H9 | 110.2° | 109.5° |
| C8 | C3 | H11 | 108.1° | 109.5° |
| C27 | C23 | C24 | 102.3° | 106.6° |
| C23 | C27 | C26 | 102.4° | 106.6° |
| C27 | C23 | H19 | 110.3° | 110.0° |
| C23 | C27 | H26 | 111.2° | 110.0° |
| C23 | C27 | H27 | 111.2° | 110.0° |
| C23 | C24 | C25 | 106.4° | 104.2° |
| C24 | C23 | H19 | 110.0° | 110.1° |
| C23 | C24 | H20 | 110.2° | 110.5° |
| C23 | C24 | H21 | 110.2° | 110.5° |
| C3 | O2 | C1 | 113.5° | 114.0° |
| O2 | C3 | H11 | 109.5° | 109.6° |
| C27 | C26 | C25 | 103.0° | 104.2° |
| C27 | C26 | H24 | 111.1° | 110.5° |
| C27 | C26 | H25 | 111.1° | 110.6° |
| C26 | C27 | H26 | 111.2° | 110.1° |
| C26 | C27 | H27 | 111.2° | 110.1° |
| O2 | C1 | H12 | 109.5° | 109.5° |
| O2 | C1 | H13 | 109.5° | 109.5° |
| O2 | C1 | H14 | 109.5° | 109.4° |
| C24 | C25 | C26 | 105.2° | 102.7° |
| C25 | C24 | H20 | 110.2° | 110.5° |
| C25 | C24 | H21 | 110.2° | 110.5° |
| C24 | C25 | H22 | 110.6° | 110.8° |
| C24 | C25 | H23 | 110.5° | 110.8° |
| C26 | C25 | H22 | 110.5° | 110.7° |
| C26 | C25 | H23 | 110.6° | 110.9° |
| C25 | C26 | H24 | 111.1° | 110.5° |
| C25 | C26 | H25 | 111.1° | 110.5° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.6° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H14 | 109.4° | 109.5° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H20 | C24 | H21 | 109.5° | 110.5° |
| H22 | C25 | H23 | 109.5° | 110.7° |
| H24 | C26 | H25 | 109.5° | 110.4° |
| H26 | C27 | H27 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | H10 | 180.0° | 179.9° |
| C12 | C11 | N10 | H5 | 180.0° | 179.7° |
| C11 | C12 | C13 | N15 | 179.8° | 180.0° |
| C11 | C12 | C13 | N14 | 0.1° | 0.0° |
| C12 | C11 | N10 | C9 | 0.4° | 0.3° |
| C13 | C12 | C11 | N10 | 0.2° | 0.1° |
| C12 | C13 | N15 | N14 | 179.9° | 180.0° |
| C12 | C13 | N15 | C16 | 176.9° | 174.7° |
| C12 | C13 | N14 | C9 | 0.3° | 0.3° |
| C13 | C12 | C11 | H5 | 179.9° | 179.8° |
| C12 | C13 | N15 | H15 | 3.1° | 5.2° |
| C11 | N10 | C9 | N14 | 0.6° | 0.5° |
| C11 | N10 | C9 | N6 | 179.2° | 180.0° |
| N10 | C11 | C12 | H10 | 179.8° | 180.0° |
| C13 | N15 | C16 | H15 | 180.0° | 179.9° |
| C13 | N15 | C16 | N29 | 165.7° | 5.1° |
| C13 | N15 | C16 | C17 | 14.5° | 174.7° |
| N15 | C13 | N14 | C9 | 179.6° | 179.7° |
| N15 | C13 | C12 | H10 | 0.2° | 0.0° |
| N15 | C16 | N29 | C17 | 179.8° | 179.8° |
| N15 | C16 | N29 | C28 | 180.0° | 179.7° |
| C16 | N15 | C13 | N14 | 3.1° | 5.3° |
| N15 | C16 | C17 | C18 | 180.0° | 180.0° |
| N15 | C16 | C17 | H16 | 0.0° | 0.0° |
| C16 | N29 | C28 | C19 | 0.4° | 0.6° |
| N29 | C16 | C17 | C18 | 0.3° | 0.2° |
| N29 | C16 | N15 | H15 | 14.3° | 175.0° |
| N29 | C16 | C17 | H16 | 179.7° | 179.8° |
| C16 | N29 | C28 | H28 | 179.6° | 179.7° |
| C28 | N29 | C16 | C17 | 0.2° | 0.6° |
| N29 | C28 | C19 | H28 | 180.0° | 179.7° |
| N29 | C28 | C19 | C18 | 0.6° | 0.3° |
| N29 | C28 | C19 | C20 | 179.6° | 179.7° |
| C13 | N14 | C9 | N10 | 0.5° | 0.5° |
| C13 | N14 | C9 | N6 | 179.2° | 180.0° |
| N14 | C13 | C12 | H10 | 179.8° | 180.0° |
| N14 | C13 | N15 | H15 | 176.9° | 174.8° |
| C16 | C17 | C18 | H16 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.5° | 0.0° |
| C16 | C17 | C18 | N22 | 180.0° | 179.9° |
| C17 | C16 | N15 | H15 | 165.5° | 5.2° |
| C28 | C19 | C18 | C17 | 0.6° | 0.0° |
| C28 | C19 | C18 | C20 | 179.3° | 180.0° |
| C28 | C19 | C18 | N22 | 179.7° | 180.0° |
| C28 | C19 | C20 | C21 | 179.0° | 180.0° |
| C28 | C19 | C20 | H17 | 1.0° | 0.0° |
| N10 | C9 | N14 | N6 | 179.8° | 179.5° |
| N10 | C9 | N6 | C5 | 26.2° | 0.1° |
| N10 | C9 | N6 | C7 | 177.4° | 124.2° |
| C9 | N10 | C11 | H5 | 179.7° | 180.0° |
| N14 | C9 | N6 | C5 | 154.0° | 179.4° |
| N14 | C9 | N6 | C7 | 2.4° | 55.3° |
| C17 | C18 | C19 | N22 | 179.6° | 180.0° |
| C17 | C18 | C19 | C20 | 179.9° | 180.0° |
| C17 | C18 | N22 | C21 | 179.6° | 180.0° |
| C17 | C18 | N22 | C23 | 2.2° | 0.1° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C19 | C18 | N22 | C21 | 0.8° | 0.0° |
| C19 | C18 | N22 | C23 | 178.3° | 179.9° |
| C19 | C18 | C17 | H16 | 179.5° | 180.0° |
| C18 | C19 | C20 | H17 | 179.9° | 179.9° |
| C18 | C19 | C28 | H28 | 179.4° | 180.0° |
| C20 | C19 | C18 | N22 | 0.4° | 0.0° |
| C19 | C20 | C21 | H17 | 180.0° | 179.9° |
| C19 | C20 | C21 | N22 | 0.6° | 0.0° |
| C19 | C20 | C21 | H18 | 179.4° | 180.0° |
| C20 | C19 | C28 | H28 | 0.4° | 0.0° |
| C9 | N6 | C5 | C7 | 156.0° | 124.0° |
| C9 | N6 | C5 | C4 | 116.9° | 174.2° |
| C9 | N6 | C7 | C8 | 110.0° | 174.2° |
| C9 | N6 | C5 | H3 | 3.6° | 54.2° |
| C9 | N6 | C5 | H4 | 122.5° | 65.8° |
| C9 | N6 | C7 | H6 | 130.0° | 65.8° |
| C9 | N6 | C7 | H7 | 10.1° | 54.1° |
| C18 | N22 | C21 | C20 | 0.9° | 0.0° |
| C18 | N22 | C21 | C23 | 177.4° | 179.9° |
| C18 | N22 | C23 | C27 | 151.6° | 120.0° |
| C18 | N22 | C23 | C24 | 95.1° | 122.9° |
| N22 | C18 | C17 | H16 | 0.0° | 0.0° |
| C18 | N22 | C21 | H18 | 179.1° | 180.0° |
| C18 | N22 | C23 | H19 | 25.8° | 1.4° |
| C20 | C21 | N22 | H18 | 180.0° | 180.0° |
| C20 | C21 | N22 | C23 | 178.3° | 179.9° |
| N6 | C5 | C4 | H3 | 120.6° | 120.0° |
| N6 | C5 | C4 | H4 | 120.5° | 120.0° |
| N6 | C5 | C4 | C3 | 44.7° | 59.2° |
| C5 | N6 | C7 | C8 | 45.9° | 61.8° |
| N6 | C5 | C4 | H1 | 75.3° | 179.1° |
| N6 | C5 | C4 | H2 | 164.6° | 60.8° |
| N6 | C5 | H3 | H4 | 118.3° | 120.0° |
| C5 | N6 | C7 | H6 | 74.1° | 58.2° |
| C5 | N6 | C7 | H7 | 166.0° | 178.2° |
| C4 | C5 | N6 | C7 | 39.0° | 61.8° |
| C5 | C4 | C3 | H1 | 120.0° | 120.0° |
| C5 | C4 | C3 | H2 | 120.0° | 120.0° |
| C5 | C4 | C3 | C8 | 61.5° | 57.6° |
| C5 | C4 | C3 | O2 | 176.3° | 62.2° |
| C5 | C4 | H1 | H2 | 120.1° | 120.1° |
| C4 | C5 | H3 | H4 | 118.3° | 120.0° |
| C5 | C4 | C3 | H11 | 55.8° | 177.5° |
| N6 | C7 | C8 | H6 | 120.1° | 120.0° |
| N6 | C7 | C8 | H7 | 120.1° | 120.0° |
| N6 | C7 | C8 | C3 | 58.3° | 59.2° |
| C7 | N6 | C5 | H3 | 159.6° | 178.2° |
| C7 | N6 | C5 | H4 | 81.5° | 58.2° |
| N6 | C7 | H6 | H7 | 119.8° | 119.9° |
| N6 | C7 | C8 | H8 | 177.9° | 60.7° |
| N6 | C7 | C8 | H9 | 61.2° | 179.1° |
| C4 | C3 | C8 | C7 | 68.8° | 57.7° |
| C4 | C3 | C8 | O2 | 122.9° | 119.8° |
| C4 | C3 | C8 | H11 | 117.3° | 120.0° |
| C4 | C3 | O2 | H11 | 119.6° | 120.2° |
| C4 | C3 | O2 | C1 | 147.1° | 150.0° |
| C3 | C4 | H1 | H2 | 120.1° | 120.0° |
| C3 | C4 | C5 | H3 | 165.2° | 179.2° |
| C3 | C4 | C5 | H4 | 75.8° | 60.8° |
| C4 | C3 | C8 | H8 | 171.6° | 62.3° |
| C4 | C3 | C8 | H9 | 50.7° | 177.6° |
| C21 | N22 | C23 | C27 | 31.4° | 59.9° |
| C21 | N22 | C23 | C24 | 81.9° | 57.2° |
| N22 | C21 | C20 | H17 | 179.4° | 179.9° |
| C21 | N22 | C23 | H19 | 157.2° | 178.6° |
| N22 | C23 | C27 | C24 | 116.7° | 119.3° |
| N22 | C23 | C27 | H19 | 126.3° | 121.5° |
| N22 | C23 | C24 | H19 | 121.6° | 121.4° |
| N22 | C23 | C27 | C26 | 160.5° | 119.2° |
| N22 | C23 | C24 | C25 | 149.1° | 95.6° |
| C23 | N22 | C21 | H18 | 1.7° | 0.1° |
| N22 | C23 | C24 | H20 | 91.4° | 145.6° |
| N22 | C23 | C24 | H21 | 29.5° | 23.0° |
| N22 | C23 | C27 | H26 | 41.6° | 0.1° |
| N22 | C23 | C27 | H27 | 80.6° | 121.4° |
| C7 | C8 | C3 | H8 | 119.6° | 120.0° |
| C7 | C8 | C3 | H9 | 119.6° | 119.9° |
| C7 | C8 | C3 | O2 | 168.2° | 62.2° |
| C8 | C7 | H6 | H7 | 119.7° | 120.0° |
| C7 | C8 | H8 | H9 | 121.3° | 120.1° |
| C7 | C8 | C3 | H11 | 48.5° | 177.6° |
| C8 | C3 | O2 | H11 | 118.9° | 120.2° |
| C8 | C3 | O2 | C1 | 91.5° | 90.3° |
| C8 | C3 | C4 | H1 | 58.4° | 177.6° |
| C8 | C3 | C4 | H2 | 178.5° | 62.4° |
| C3 | C8 | C7 | H6 | 61.8° | 60.8° |
| C3 | C8 | C7 | H7 | 178.4° | 179.2° |
| C3 | C8 | H8 | H9 | 121.3° | 120.1° |
| C27 | C23 | C24 | H19 | 117.2° | 119.3° |
| C23 | C27 | C26 | H26 | 118.8° | 119.3° |
| C23 | C27 | C26 | H27 | 118.8° | 119.3° |
| C27 | C23 | C24 | C25 | 27.9° | 23.7° |
| C23 | C27 | C26 | C25 | 43.3° | 23.6° |
| C27 | C23 | C24 | H20 | 147.4° | 95.1° |
| C27 | C23 | C24 | H21 | 91.6° | 142.3° |
| C23 | C27 | C26 | H24 | 162.3° | 95.1° |
| C23 | C27 | C26 | H25 | 75.7° | 142.3° |
| C23 | C27 | H26 | H27 | 123.2° | 121.4° |
| C24 | C23 | C27 | C26 | 43.8° | 0.0° |
| C23 | C24 | C25 | H20 | 119.5° | 118.7° |
| C23 | C24 | C25 | H21 | 119.5° | 118.7° |
| C23 | C24 | C25 | C26 | 1.4° | 38.0° |
| C23 | C24 | H20 | H21 | 121.4° | 122.6° |
| C23 | C24 | C25 | H22 | 117.9° | 156.2° |
| C23 | C24 | C25 | H23 | 120.7° | 80.5° |
| C24 | C23 | C27 | H26 | 75.0° | 119.3° |
| C24 | C23 | C27 | H27 | 162.7° | 119.3° |
| O2 | C3 | C4 | H1 | 63.8° | 57.7° |
| O2 | C3 | C4 | H2 | 56.3° | 177.8° |
| O2 | C3 | C8 | H8 | 48.7° | 177.8° |
| O2 | C3 | C8 | H9 | 72.2° | 57.7° |
| C3 | O2 | C1 | H12 | 180.0° | 60.0° |
| C3 | O2 | C1 | H13 | 60.0° | 180.0° |
| C3 | O2 | C1 | H14 | 60.0° | 60.0° |
| C27 | C26 | C25 | C24 | 25.5° | 38.0° |
| C27 | C26 | C25 | H24 | 119.0° | 118.7° |
| C27 | C26 | C25 | H25 | 119.0° | 118.8° |
| C26 | C27 | C23 | H19 | 73.2° | 119.3° |
| C27 | C26 | C25 | H22 | 144.8° | 156.3° |
| C27 | C26 | C25 | H23 | 93.8° | 80.4° |
| C27 | C26 | H24 | H25 | 123.0° | 122.6° |
| C26 | C27 | H26 | H27 | 123.3° | 121.4° |
| C1 | O2 | C3 | H11 | 27.4° | 29.8° |
| O2 | C1 | H12 | H13 | 120.0° | 120.0° |
| O2 | C1 | H12 | H14 | 120.0° | 120.0° |
| O2 | C1 | H13 | H14 | 120.0° | 120.0° |
| C24 | C25 | C26 | H22 | 119.3° | 118.3° |
| C24 | C25 | C26 | H23 | 119.3° | 118.4° |
| C25 | C24 | C23 | H19 | 89.3° | 142.9° |
| C25 | C24 | H20 | H21 | 121.4° | 122.6° |
| C24 | C25 | H22 | H23 | 122.0° | 123.3° |
| C24 | C25 | C26 | H24 | 144.4° | 80.7° |
| C24 | C25 | C26 | H25 | 93.5° | 156.8° |
| C26 | C25 | C24 | H20 | 120.9° | 80.7° |
| C26 | C25 | C24 | H21 | 118.1° | 156.6° |
| C26 | C25 | H22 | H23 | 122.0° | 123.4° |
| C25 | C26 | H24 | H25 | 123.0° | 122.6° |
| C25 | C26 | C27 | H26 | 75.5° | 95.7° |
| C25 | C26 | C27 | H27 | 162.1° | 142.9° |
| H1 | C4 | C5 | H3 | 45.2° | 60.9° |
| H1 | C4 | C5 | H4 | 164.2° | 59.1° |
| H1 | C4 | C3 | H11 | 175.8° | 62.5° |
| H2 | C4 | C5 | H3 | 74.8° | 59.2° |
| H2 | C4 | C5 | H4 | 44.1° | 179.2° |
| H2 | C4 | C3 | H11 | 64.2° | 57.6° |
| H5 | C11 | C12 | H10 | 0.1° | 0.3° |
| H6 | C7 | C8 | H8 | 57.8° | 179.3° |
| H6 | C7 | C8 | H9 | 178.7° | 59.1° |
| H7 | C7 | C8 | H8 | 62.1° | 59.2° |
| H7 | C7 | C8 | H9 | 58.8° | 60.9° |
| H8 | C8 | C3 | H11 | 71.1° | 57.7° |
| H9 | C8 | C3 | H11 | 168.1° | 62.5° |
| H12 | C1 | H13 | H14 | 120.0° | 120.0° |
| H17 | C20 | C21 | H18 | 0.6° | 0.1° |
| H19 | C23 | C24 | H20 | 30.2° | 24.2° |
| H19 | C23 | C24 | H21 | 151.2° | 98.4° |
| H19 | C23 | C27 | H26 | 167.9° | 121.4° |
| H19 | C23 | C27 | H27 | 45.7° | 0.0° |
| H20 | C24 | C25 | H22 | 1.6° | 37.5° |
| H20 | C24 | C25 | H23 | 119.8° | 160.8° |
| H21 | C24 | C25 | H22 | 122.6° | 85.1° |
| H21 | C24 | C25 | H23 | 1.2° | 38.1° |
| H22 | C25 | C26 | H24 | 96.2° | 37.6° |
| H22 | C25 | C26 | H25 | 25.9° | 84.9° |
| H23 | C25 | C26 | H24 | 25.1° | 160.9° |
| H23 | C25 | C26 | H25 | 147.2° | 38.3° |
| H24 | C26 | C27 | H26 | 43.4° | 145.6° |
| H24 | C26 | C27 | H27 | 78.9° | 24.2° |
| H25 | C26 | C27 | H26 | 165.5° | 23.1° |
| H25 | C26 | C27 | H27 | 43.2° | 98.3° |
