E3Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.50Å | 1.52Å | |
| C19 | C20 | sing | 1.54Å | 1.52Å | |
| C18 | C17 | sing | 1.54Å | 1.53Å | |
| O4 | C24 | doub | 1.21Å | 1.21Å | |
| C27 | C25 | sing | 1.53Å | 1.55Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | N2 | sing | 1.35Å | 1.38Å | |
| C24 | C25 | sing | 1.52Å | 1.53Å | |
| C20 | C21 | sing | 1.54Å | 1.55Å | |
| C6 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | N2 | sing | 1.47Å | 1.49Å | |
| C17 | C23 | sing | 1.46Å | 1.52Å | |
| N2 | N1 | sing | 1.39Å | 1.39Å | |
| C25 | C16 | sing | 1.51Å | 1.49Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C2 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.37Å | |
| C21 | C22 | sing | 1.50Å | 1.58Å | |
| N1 | C16 | doub | 1.29Å | 1.28Å | |
| C16 | C11 | sing | 1.47Å | 1.48Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C11 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C23 | C22 | sing | 1.54Å | 1.54Å | |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | O2 | sing | 1.36Å | 1.38Å | |
| C9 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| C8 | O2 | sing | 1.43Å | 1.45Å | |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | O3 | sing | 1.36Å | 1.37Å | |
| C15 | O3 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H24 | sing | 1.08Å | 1.08Å | |
| C5 | H25 | sing | 1.08Å | 1.08Å | |
| C8 | H26 | sing | 1.09Å | 1.10Å | |
| C8 | H27 | sing | 1.09Å | 1.10Å | |
| C10 | H28 | sing | 1.08Å | 1.08Å | |
| C13 | H29 | sing | 1.08Å | 1.08Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 120.2° | 120.0° |
| C4 | C5 | C6 | 120.2° | 120.2° |
| C5 | C4 | H4 | 119.9° | 120.0° |
| C4 | C5 | H25 | 119.9° | 120.0° |
| C4 | C3 | C2 | 120.0° | 120.0° |
| C3 | C4 | H4 | 119.9° | 120.0° |
| C4 | C3 | H24 | 120.0° | 120.0° |
| C5 | C6 | C7 | 120.9° | 120.0° |
| C5 | C6 | H5 | 119.6° | 120.0° |
| C6 | C5 | H25 | 119.9° | 119.9° |
| C18 | C19 | C20 | 113.8° | 112.5° |
| C19 | C18 | C17 | 114.8° | 108.5° |
| C19 | C18 | H10 | 108.1° | 109.6° |
| C19 | C18 | H11 | 108.1° | 109.8° |
| C18 | C19 | H31 | 108.4° | 108.9° |
| C18 | C19 | H32 | 108.4° | 108.9° |
| C19 | C20 | C21 | 114.6° | 112.8° |
| C19 | C20 | H12 | 108.2° | 108.8° |
| C19 | C20 | H13 | 108.2° | 108.8° |
| C20 | C19 | H31 | 108.4° | 108.8° |
| C20 | C19 | H32 | 108.4° | 108.9° |
| C18 | C17 | N2 | 110.1° | 108.9° |
| C18 | C17 | C23 | 114.4° | 112.4° |
| C17 | C18 | H10 | 108.1° | 109.6° |
| C17 | C18 | H11 | 108.1° | 109.6° |
| C18 | C17 | H30 | 107.0° | 108.9° |
| O4 | C24 | N2 | 125.2° | 127.3° |
| O4 | C24 | C25 | 125.6° | 127.4° |
| C27 | C25 | C24 | 111.6° | 110.6° |
| C27 | C25 | C16 | 114.8° | 110.6° |
| C27 | C25 | C26 | 112.1° | 110.6° |
| C25 | C27 | H21 | 109.5° | 109.5° |
| C25 | C27 | H22 | 109.4° | 109.5° |
| C25 | C27 | H23 | 109.5° | 109.5° |
| C3 | C2 | C7 | 119.9° | 119.9° |
| C3 | C2 | O1 | 120.7° | 120.1° |
| C2 | C3 | H24 | 120.0° | 120.0° |
| N2 | C24 | C25 | 109.1° | 105.3° |
| C24 | N2 | C17 | 126.9° | 124.3° |
| C24 | N2 | N1 | 113.4° | 111.3° |
| C24 | C25 | C16 | 91.7° | 103.7° |
| C24 | C25 | C26 | 111.3° | 110.6° |
| C20 | C21 | C22 | 115.7° | 112.5° |
| C21 | C20 | H12 | 108.2° | 108.8° |
| C21 | C20 | H13 | 108.2° | 108.8° |
| C20 | C21 | H14 | 107.9° | 108.8° |
| C20 | C21 | H33 | 107.9° | 108.9° |
| C6 | C7 | C2 | 118.8° | 119.9° |
| C6 | C7 | C8 | 120.1° | 120.1° |
| C7 | C6 | H5 | 119.5° | 119.9° |
| N2 | C17 | C23 | 110.5° | 108.9° |
| C17 | N2 | N1 | 119.8° | 124.3° |
| N2 | C17 | H30 | 107.4° | 108.9° |
| C17 | C23 | C22 | 115.5° | 112.4° |
| C17 | C23 | H16 | 108.0° | 108.9° |
| C17 | C23 | H17 | 107.9° | 108.9° |
| C23 | C17 | H30 | 107.1° | 108.8° |
| N2 | N1 | C16 | 100.3° | 112.7° |
| C16 | C25 | C26 | 113.8° | 110.6° |
| C25 | C16 | N1 | 124.6° | 107.0° |
| C25 | C16 | C11 | 121.0° | 126.5° |
| C25 | C26 | H18 | 109.5° | 109.5° |
| C25 | C26 | H19 | 109.5° | 109.5° |
| C25 | C26 | H20 | 109.4° | 109.5° |
| C7 | C2 | O1 | 119.4° | 120.1° |
| C2 | C7 | C8 | 121.1° | 120.0° |
| C2 | O1 | C1 | 118.3° | 117.0° |
| C21 | C22 | C23 | 116.4° | 108.5° |
| C22 | C21 | H14 | 107.9° | 108.9° |
| C21 | C22 | H15 | 107.7° | 109.6° |
| C22 | C21 | H33 | 107.9° | 108.9° |
| C21 | C22 | H34 | 107.7° | 109.6° |
| N1 | C16 | C11 | 114.3° | 126.5° |
| C16 | C11 | C10 | 119.3° | 120.1° |
| C16 | C11 | C12 | 121.4° | 120.0° |
| C7 | C8 | O2 | 109.5° | 109.4° |
| C7 | C8 | H26 | 109.5° | 109.5° |
| C7 | C8 | H27 | 109.5° | 109.5° |
| C10 | C11 | C12 | 119.4° | 119.8° |
| C11 | C10 | C9 | 120.0° | 119.8° |
| C11 | C10 | H28 | 120.0° | 120.1° |
| C11 | C12 | C13 | 120.9° | 119.9° |
| C11 | C12 | H6 | 119.5° | 120.0° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H2 | 109.5° | 109.4° |
| O1 | C1 | H3 | 109.4° | 109.5° |
| C23 | C22 | H15 | 107.7° | 109.7° |
| C22 | C23 | H16 | 107.9° | 108.9° |
| C22 | C23 | H17 | 108.0° | 108.9° |
| C23 | C22 | H34 | 107.7° | 109.8° |
| C10 | C9 | O2 | 126.2° | 120.0° |
| C10 | C9 | C14 | 119.6° | 120.0° |
| C9 | C10 | H28 | 120.0° | 120.1° |
| C12 | C13 | C14 | 120.1° | 120.2° |
| C13 | C12 | H6 | 119.5° | 120.0° |
| C12 | C13 | H29 | 119.9° | 119.9° |
| O2 | C9 | C14 | 114.2° | 120.0° |
| C9 | O2 | C8 | 118.9° | 117.0° |
| C9 | C14 | C13 | 119.9° | 120.2° |
| C9 | C14 | O3 | 115.5° | 119.9° |
| O2 | C8 | H26 | 109.5° | 109.4° |
| O2 | C8 | H27 | 109.4° | 109.4° |
| C13 | C14 | O3 | 124.6° | 119.9° |
| C14 | C13 | H29 | 120.0° | 119.9° |
| C14 | O3 | C15 | 118.5° | 117.0° |
| O3 | C15 | H7 | 109.5° | 109.5° |
| O3 | C15 | H8 | 109.5° | 109.4° |
| O3 | C15 | H9 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H7 | C15 | H8 | 109.5° | 109.5° |
| H7 | C15 | H9 | 109.4° | 109.5° |
| H8 | C15 | H9 | 109.4° | 109.4° |
| H10 | C18 | H11 | 109.4° | 109.7° |
| H12 | C20 | H13 | 109.5° | 108.7° |
| H14 | C21 | H33 | 109.4° | 108.8° |
| H15 | C22 | H34 | 109.5° | 109.6° |
| H16 | C23 | H17 | 109.5° | 108.9° |
| H18 | C26 | H19 | 109.5° | 109.5° |
| H18 | C26 | H20 | 109.5° | 109.4° |
| H19 | C26 | H20 | 109.5° | 109.5° |
| H21 | C27 | H22 | 109.5° | 109.5° |
| H21 | C27 | H23 | 109.4° | 109.4° |
| H22 | C27 | H23 | 109.5° | 109.5° |
| H26 | C8 | H27 | 109.5° | 109.5° |
| H31 | C19 | H32 | 109.5° | 108.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | H4 | 180.0° | 179.8° |
| C4 | C5 | C6 | H25 | 180.0° | 179.7° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C4 | C5 | C6 | C7 | 1.0° | 0.6° |
| C4 | C5 | C6 | H5 | 179.0° | 180.0° |
| C5 | C4 | C3 | H24 | 179.8° | 180.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.3° |
| C4 | C3 | C2 | H24 | 180.0° | 180.0° |
| C4 | C3 | C2 | C7 | 0.8° | 0.0° |
| C4 | C3 | C2 | O1 | 179.8° | 179.7° |
| C3 | C4 | C5 | H25 | 179.7° | 180.0° |
| C5 | C6 | C7 | H5 | 180.0° | 179.4° |
| C5 | C6 | C7 | C2 | 1.5° | 0.6° |
| C5 | C6 | C7 | C8 | 179.4° | 179.4° |
| C6 | C5 | C4 | H4 | 179.7° | 179.9° |
| C18 | C19 | C20 | H31 | 120.6° | 120.8° |
| C18 | C19 | C20 | H32 | 120.7° | 120.9° |
| C19 | C18 | C17 | H10 | 120.8° | 119.6° |
| C19 | C18 | C17 | H11 | 120.8° | 119.9° |
| C18 | C19 | C20 | C21 | 85.0° | 41.8° |
| C19 | C18 | C17 | N2 | 170.2° | 159.3° |
| C19 | C18 | C17 | C23 | 64.7° | 79.9° |
| C19 | C18 | H10 | H11 | 117.5° | 120.6° |
| C18 | C19 | C20 | H12 | 35.7° | 162.6° |
| C18 | C19 | C20 | H13 | 154.3° | 79.1° |
| C19 | C18 | C17 | H30 | 53.8° | 40.7° |
| C18 | C19 | H31 | H32 | 118.0° | 118.5° |
| C20 | C19 | C18 | C17 | 61.8° | 94.2° |
| C19 | C20 | C21 | H12 | 120.7° | 120.8° |
| C19 | C20 | C21 | H13 | 120.7° | 120.9° |
| C19 | C20 | C21 | C22 | 73.1° | 41.7° |
| C20 | C19 | C18 | H10 | 177.4° | 25.5° |
| C20 | C19 | C18 | H11 | 59.0° | 146.0° |
| C19 | C20 | H12 | H13 | 117.7° | 118.4° |
| C19 | C20 | C21 | H14 | 166.0° | 79.1° |
| C20 | C19 | H31 | H32 | 118.0° | 118.5° |
| C19 | C20 | C21 | H33 | 47.8° | 162.5° |
| C18 | C17 | N2 | C24 | 110.1° | 120.0° |
| C18 | C17 | N2 | C23 | 127.3° | 122.9° |
| C18 | C17 | N2 | H30 | 116.1° | 118.6° |
| C18 | C17 | C23 | H30 | 118.4° | 120.7° |
| C18 | C17 | N2 | N1 | 68.6° | 60.0° |
| C18 | C17 | C23 | C22 | 86.3° | 61.9° |
| C17 | C18 | H10 | H11 | 117.6° | 120.4° |
| C18 | C17 | C23 | H16 | 152.9° | 58.8° |
| C18 | C17 | C23 | H17 | 34.6° | 177.4° |
| C17 | C18 | C19 | H31 | 177.6° | 145.1° |
| C17 | C18 | C19 | H32 | 58.9° | 26.7° |
| O4 | C24 | C25 | C27 | 53.3° | 61.3° |
| O4 | C24 | N2 | C25 | 179.3° | 180.0° |
| O4 | C24 | N2 | C17 | 10.3° | 0.1° |
| O4 | C24 | N2 | N1 | 168.5° | 180.0° |
| O4 | C24 | C25 | C16 | 170.9° | 179.9° |
| O4 | C24 | C25 | C26 | 72.7° | 61.6° |
| C27 | C25 | C24 | N2 | 126.0° | 118.7° |
| C27 | C25 | C24 | C16 | 117.6° | 118.6° |
| C27 | C25 | C24 | C26 | 126.0° | 122.9° |
| C27 | C25 | C16 | C26 | 131.0° | 122.9° |
| C27 | C25 | C16 | N1 | 119.8° | 118.8° |
| C27 | C25 | C16 | C11 | 62.0° | 61.5° |
| C27 | C25 | C26 | H18 | 180.0° | 61.5° |
| C27 | C25 | C26 | H19 | 60.0° | 58.6° |
| C27 | C25 | C26 | H20 | 60.0° | 178.6° |
| C25 | C27 | H21 | H22 | 120.0° | 120.0° |
| C25 | C27 | H21 | H23 | 120.0° | 120.0° |
| C25 | C27 | H22 | H23 | 120.0° | 120.0° |
| C3 | C2 | C7 | C6 | 1.4° | 0.3° |
| C3 | C2 | C7 | O1 | 179.0° | 179.7° |
| C3 | C2 | C7 | C8 | 179.3° | 179.7° |
| C3 | C2 | O1 | C1 | 26.0° | 0.3° |
| C2 | C3 | C4 | H4 | 179.8° | 179.8° |
| C24 | N2 | C17 | N1 | 178.7° | 179.9° |
| C24 | N2 | C17 | C23 | 122.5° | 117.1° |
| N2 | C24 | C25 | C16 | 8.4° | 0.2° |
| N2 | C24 | C25 | C26 | 108.0° | 118.4° |
| C24 | N2 | N1 | C16 | 7.0° | 0.2° |
| C24 | N2 | C17 | H30 | 6.0° | 1.4° |
| C25 | C24 | N2 | C17 | 170.5° | 180.0° |
| C25 | C24 | N2 | N1 | 10.7° | 0.0° |
| C24 | C25 | C16 | C26 | 114.2° | 118.5° |
| C24 | C25 | C16 | N1 | 5.0° | 0.2° |
| C24 | C25 | C16 | C11 | 176.7° | 180.0° |
| C24 | C25 | C26 | H18 | 54.3° | 61.4° |
| C24 | C25 | C26 | H19 | 65.7° | 178.6° |
| C24 | C25 | C26 | H20 | 174.3° | 58.5° |
| C24 | C25 | C27 | H21 | 180.0° | 58.5° |
| C24 | C25 | C27 | H22 | 60.0° | 178.6° |
| C24 | C25 | C27 | H23 | 60.0° | 61.4° |
| C20 | C21 | C22 | H14 | 120.9° | 120.7° |
| C20 | C21 | C22 | H33 | 120.9° | 120.8° |
| C20 | C21 | C22 | C23 | 7.7° | 94.1° |
| C21 | C20 | H12 | H13 | 117.7° | 118.3° |
| C20 | C21 | H14 | H33 | 117.2° | 118.5° |
| C20 | C21 | C22 | H15 | 113.3° | 146.1° |
| C21 | C20 | C19 | H31 | 154.4° | 162.5° |
| C21 | C20 | C19 | H32 | 35.7° | 79.1° |
| C20 | C21 | C22 | H34 | 128.7° | 25.8° |
| C6 | C7 | C2 | C8 | 177.9° | 180.0° |
| C6 | C7 | C2 | O1 | 179.6° | 180.0° |
| C6 | C7 | C8 | O2 | 111.7° | 0.0° |
| C7 | C6 | C5 | H25 | 179.0° | 179.7° |
| C6 | C7 | C8 | H26 | 128.3° | 119.9° |
| C6 | C7 | C8 | H27 | 8.3° | 120.0° |
| N2 | C17 | C23 | H30 | 116.7° | 118.5° |
| C17 | N2 | N1 | C16 | 174.1° | 179.8° |
| N2 | C17 | C23 | C22 | 148.8° | 177.3° |
| N2 | C17 | C18 | H10 | 49.4° | 81.1° |
| N2 | C17 | C18 | H11 | 69.0° | 39.4° |
| N2 | C17 | C23 | H16 | 28.0° | 62.0° |
| N2 | C17 | C23 | H17 | 90.3° | 56.6° |
| C23 | C17 | N2 | N1 | 58.7° | 63.0° |
| C17 | C23 | C22 | C21 | 61.9° | 79.9° |
| C17 | C23 | C22 | H16 | 120.9° | 120.8° |
| C17 | C23 | C22 | H17 | 120.9° | 120.7° |
| C23 | C17 | C18 | H10 | 174.5° | 39.7° |
| C23 | C17 | C18 | H11 | 56.1° | 160.1° |
| C17 | C23 | C22 | H15 | 177.1° | 160.3° |
| C17 | C23 | H16 | H17 | 117.3° | 118.6° |
| C17 | C23 | C22 | H34 | 59.1° | 39.8° |
| N2 | N1 | C16 | C25 | 0.5° | 0.3° |
| N2 | N1 | C16 | C11 | 177.8° | 180.0° |
| N1 | N2 | C17 | H30 | 175.2° | 178.6° |
| C25 | C16 | N1 | C11 | 178.4° | 179.7° |
| C25 | C16 | C11 | C10 | 168.6° | 180.0° |
| C25 | C16 | C11 | C12 | 11.6° | 0.0° |
| C16 | C25 | C26 | H18 | 47.6° | 175.7° |
| C16 | C25 | C26 | H19 | 167.6° | 64.3° |
| C16 | C25 | C26 | H20 | 72.4° | 55.7° |
| C16 | C25 | C27 | H21 | 77.5° | 55.7° |
| C16 | C25 | C27 | H22 | 162.5° | 64.3° |
| C16 | C25 | C27 | H23 | 42.5° | 175.7° |
| C26 | C25 | C16 | N1 | 109.2° | 118.3° |
| C26 | C25 | C16 | C11 | 69.1° | 61.5° |
| C25 | C26 | H18 | H19 | 120.0° | 120.0° |
| C25 | C26 | H18 | H20 | 120.0° | 120.0° |
| C25 | C26 | H19 | H20 | 120.0° | 120.0° |
| C26 | C25 | C27 | H21 | 54.4° | 178.6° |
| C26 | C25 | C27 | H22 | 65.6° | 58.6° |
| C26 | C25 | C27 | H23 | 174.4° | 61.4° |
| C7 | C2 | O1 | C1 | 155.0° | 180.0° |
| C2 | C7 | C8 | O2 | 70.5° | 180.0° |
| C2 | C7 | C6 | H5 | 178.5° | 180.0° |
| C7 | C2 | C3 | H24 | 179.2° | 180.0° |
| C2 | C7 | C8 | H26 | 49.5° | 60.1° |
| C2 | C7 | C8 | H27 | 169.5° | 60.0° |
| O1 | C2 | C7 | C8 | 1.7° | 0.0° |
| C2 | O1 | C1 | H1 | 180.0° | 180.0° |
| C2 | O1 | C1 | H2 | 60.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 59.9° |
| O1 | C2 | C3 | H24 | 0.2° | 0.3° |
| C21 | C22 | C23 | H15 | 121.0° | 119.8° |
| C21 | C22 | C23 | H34 | 121.0° | 119.8° |
| C22 | C21 | C20 | H12 | 47.6° | 79.2° |
| C22 | C21 | C20 | H13 | 166.1° | 162.6° |
| C22 | C21 | H14 | H33 | 117.1° | 118.6° |
| C21 | C22 | H15 | H34 | 116.9° | 120.3° |
| C21 | C22 | C23 | H16 | 177.2° | 40.8° |
| C21 | C22 | C23 | H17 | 59.0° | 159.4° |
| N1 | C16 | C11 | C10 | 12.9° | 0.4° |
| N1 | C16 | C11 | C12 | 166.9° | 179.7° |
| C16 | C11 | C10 | C12 | 179.8° | 179.9° |
| C16 | C11 | C10 | C9 | 179.3° | 180.0° |
| C16 | C11 | C12 | C13 | 179.0° | 179.7° |
| C16 | C11 | C12 | H6 | 1.0° | 0.1° |
| C16 | C11 | C10 | H28 | 0.7° | 0.1° |
| C7 | C8 | O2 | C9 | 95.5° | 180.0° |
| C7 | C8 | O2 | H26 | 120.0° | 120.0° |
| C7 | C8 | O2 | H27 | 120.0° | 120.0° |
| C8 | C7 | C6 | H5 | 0.6° | 0.0° |
| C7 | C8 | H26 | H27 | 120.0° | 120.1° |
| C11 | C10 | C9 | H28 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.8° | 0.2° |
| C11 | C10 | C9 | O2 | 178.8° | 180.0° |
| C11 | C10 | C9 | C14 | 0.0° | 0.3° |
| C10 | C11 | C12 | H6 | 179.2° | 180.0° |
| C12 | C11 | C10 | C9 | 0.5° | 0.0° |
| C11 | C12 | C13 | H6 | 180.0° | 179.8° |
| C11 | C12 | C13 | C14 | 0.5° | 0.2° |
| C12 | C11 | C10 | H28 | 179.5° | 180.0° |
| C11 | C12 | C13 | H29 | 179.5° | 180.0° |
| O1 | C1 | H1 | H2 | 120.0° | 119.9° |
| O1 | C1 | H1 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H3 | 120.0° | 119.9° |
| C23 | C22 | C21 | H14 | 128.7° | 26.6° |
| C23 | C22 | H15 | H34 | 116.9° | 120.6° |
| C22 | C23 | H16 | H17 | 117.3° | 118.5° |
| C22 | C23 | C17 | H30 | 32.1° | 58.8° |
| C23 | C22 | C21 | H33 | 113.2° | 145.1° |
| C10 | C9 | O2 | C14 | 178.9° | 179.8° |
| C10 | C9 | O2 | C8 | 7.4° | 0.2° |
| C10 | C9 | C14 | C13 | 0.3° | 0.3° |
| C10 | C9 | C14 | O3 | 178.3° | 179.7° |
| C12 | C13 | C14 | C9 | 0.0° | 0.0° |
| C12 | C13 | C14 | H29 | 180.0° | 179.8° |
| C12 | C13 | C14 | O3 | 178.5° | 180.0° |
| O2 | C9 | C14 | C13 | 178.7° | 180.0° |
| O2 | C9 | C14 | O3 | 2.7° | 0.0° |
| C9 | O2 | C8 | H26 | 144.5° | 60.0° |
| C9 | O2 | C8 | H27 | 24.5° | 60.0° |
| O2 | C9 | C10 | H28 | 1.2° | 0.0° |
| C14 | C9 | O2 | C8 | 173.7° | 180.0° |
| C9 | C14 | C13 | O3 | 178.5° | 180.0° |
| C9 | C14 | O3 | C15 | 159.6° | 180.0° |
| C14 | C9 | C10 | H28 | 180.0° | 179.7° |
| C9 | C14 | C13 | H29 | 180.0° | 179.7° |
| O2 | C8 | H26 | H27 | 120.0° | 120.0° |
| C13 | C14 | O3 | C15 | 21.9° | 0.0° |
| C14 | C13 | C12 | H6 | 179.5° | 180.0° |
| C14 | O3 | C15 | H7 | 180.0° | 60.0° |
| C14 | O3 | C15 | H8 | 60.0° | 180.0° |
| C14 | O3 | C15 | H9 | 60.0° | 60.1° |
| O3 | C14 | C13 | H29 | 1.5° | 0.2° |
| O3 | C15 | H7 | H8 | 120.0° | 120.0° |
| O3 | C15 | H7 | H9 | 120.0° | 120.1° |
| O3 | C15 | H8 | H9 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H4 | C4 | C3 | H24 | 0.2° | 0.2° |
| H4 | C4 | C5 | H25 | 0.3° | 0.2° |
| H5 | C6 | C5 | H25 | 1.0° | 0.3° |
| H6 | C12 | C13 | H29 | 0.6° | 0.2° |
| H7 | C15 | H8 | H9 | 119.9° | 120.0° |
| H10 | C18 | C17 | H30 | 67.0° | 160.3° |
| H10 | C18 | C19 | H31 | 56.8° | 95.3° |
| H10 | C18 | C19 | H32 | 61.9° | 146.4° |
| H11 | C18 | C17 | H30 | 174.6° | 79.2° |
| H11 | C18 | C19 | H31 | 61.6° | 25.3° |
| H11 | C18 | C19 | H32 | 179.7° | 93.1° |
| H12 | C20 | C21 | H14 | 73.3° | 160.1° |
| H12 | C20 | C19 | H31 | 84.9° | 76.7° |
| H12 | C20 | C19 | H32 | 156.4° | 41.7° |
| H12 | C20 | C21 | H33 | 168.5° | 41.7° |
| H13 | C20 | C21 | H14 | 45.2° | 41.8° |
| H13 | C20 | C19 | H31 | 33.7° | 41.6° |
| H13 | C20 | C19 | H32 | 85.1° | 160.0° |
| H13 | C20 | C21 | H33 | 72.9° | 76.6° |
| H14 | C21 | C22 | H15 | 7.7° | 93.2° |
| H14 | C21 | C22 | H34 | 110.4° | 146.5° |
| H15 | C22 | C23 | H16 | 56.2° | 78.9° |
| H15 | C22 | C23 | H17 | 62.0° | 39.6° |
| H15 | C22 | C21 | H33 | 125.8° | 25.3° |
| H16 | C23 | C17 | H30 | 88.7° | 179.5° |
| H16 | C23 | C22 | H34 | 61.8° | 160.6° |
| H17 | C23 | C17 | H30 | 153.0° | 61.9° |
| H17 | C23 | C22 | H34 | 179.9° | 80.9° |
| H18 | C26 | H19 | H20 | 120.0° | 119.9° |
| H21 | C27 | H22 | H23 | 120.0° | 120.0° |
| H33 | C21 | C22 | H34 | 7.8° | 95.0° |
