EQE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C5 | sing | 1.53Å | 1.49Å | |
| O12 | C11 | doub | 1.21Å | 1.21Å | |
| C17 | C15 | sing | 1.53Å | 1.50Å | |
| C9 | C11 | sing | 1.51Å | 1.50Å | |
| C9 | O10 | sing | 1.43Å | 1.39Å | |
| C9 | C4 | sing | 1.53Å | 1.50Å | |
| C11 | N13 | sing | 1.35Å | 1.31Å | |
| C5 | C4 | sing | 1.53Å | 1.49Å | |
| C5 | C6 | sing | 1.53Å | 1.49Å | |
| C4 | C1 | sing | 1.51Å | 1.49Å | |
| C15 | C16 | sing | 1.53Å | 1.50Å | |
| C15 | C14 | sing | 1.53Å | 1.50Å | |
| N13 | C14 | sing | 1.47Å | 1.44Å | |
| C14 | C18 | sing | 1.51Å | 1.50Å | |
| C1 | O3 | doub | 1.21Å | 1.21Å | |
| C18 | N20 | sing | 1.35Å | 1.32Å | |
| C18 | O19 | doub | 1.21Å | 1.21Å | |
| N20 | C21 | sing | 1.46Å | 1.46Å | |
| C23 | C22 | sing | 1.53Å | 1.51Å | |
| O26 | C25 | doub | 1.21Å | 1.23Å | |
| C24 | C22 | sing | 1.53Å | 1.49Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C21 | C25 | sing | 1.51Å | 1.50Å | |
| C25 | O27 | sing | 1.34Å | 1.23Å | |
| O27 | C28 | sing | 1.45Å | 1.23Å | |
| C28 | C61 | sing | 1.51Å | 1.39Å | |
| C61 | C62 | doub | 1.38Å | 1.38Å | Aromatic |
| C61 | C66 | sing | 1.38Å | 1.38Å | Aromatic |
| C62 | C63 | sing | 1.38Å | 1.38Å | Aromatic |
| C66 | C65 | doub | 1.38Å | 1.38Å | Aromatic |
| C63 | C64 | doub | 1.38Å | 1.38Å | Aromatic |
| C65 | C64 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| O10 | H22 | sing | 0.97Å | 0.95Å | |
| N13 | H23 | sing | 0.97Å | 1.00Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| N20 | H28 | sing | 0.97Å | 1.00Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C62 | H32 | sing | 1.08Å | 1.08Å | |
| C63 | H33 | sing | 1.08Å | 1.08Å | |
| C64 | H34 | sing | 1.08Å | 1.08Å | |
| C65 | H35 | sing | 1.08Å | 1.08Å | |
| C66 | H36 | sing | 1.08Å | 1.08Å | |
| C1 | OXT | sing | 1.34Å | 1.34Å | |
| OXT | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C5 | C4 | 107.6° | 109.5° |
| C7 | C5 | C6 | 105.6° | 109.5° |
| C7 | C5 | H2 | 112.2° | 109.5° |
| C5 | C7 | H6 | 109.5° | 109.5° |
| C5 | C7 | H7 | 109.4° | 109.5° |
| C5 | C7 | H8 | 109.5° | 109.4° |
| O12 | C11 | C9 | 119.2° | 120.0° |
| O12 | C11 | N13 | 122.3° | 120.0° |
| C17 | C15 | C16 | 108.9° | 109.5° |
| C17 | C15 | C14 | 110.4° | 109.4° |
| C17 | C15 | H9 | 109.8° | 109.5° |
| C15 | C17 | H10 | 109.5° | 109.5° |
| C15 | C17 | H11 | 109.5° | 109.5° |
| C15 | C17 | H12 | 109.4° | 109.4° |
| C11 | C9 | O10 | 109.5° | 109.4° |
| C11 | C9 | C4 | 108.4° | 109.5° |
| C9 | C11 | N13 | 118.6° | 120.0° |
| C11 | C9 | H21 | 110.5° | 109.4° |
| O10 | C9 | C4 | 105.6° | 109.5° |
| O10 | C9 | H21 | 112.2° | 109.5° |
| C9 | O10 | H22 | 109.5° | 114.0° |
| C9 | C4 | C5 | 109.6° | 109.5° |
| C9 | C4 | C1 | 108.8° | 109.5° |
| C9 | C4 | H1 | 109.9° | 109.4° |
| C4 | C9 | H21 | 110.5° | 109.5° |
| C11 | N13 | C14 | 118.5° | 120.0° |
| C11 | N13 | H23 | 120.7° | 120.0° |
| C4 | C5 | C6 | 106.7° | 109.5° |
| C5 | C4 | C1 | 108.5° | 109.5° |
| C5 | C4 | H1 | 110.0° | 109.4° |
| C4 | C5 | H2 | 112.2° | 109.5° |
| C6 | C5 | H2 | 112.2° | 109.5° |
| C5 | C6 | H3 | 109.5° | 109.5° |
| C5 | C6 | H4 | 109.5° | 109.5° |
| C5 | C6 | H5 | 109.5° | 109.4° |
| C4 | C1 | O3 | 121.5° | 120.0° |
| C1 | C4 | H1 | 110.1° | 109.5° |
| C4 | C1 | OXT | 112.6° | 120.0° |
| C16 | C15 | C14 | 108.2° | 109.5° |
| C16 | C15 | H9 | 109.8° | 109.4° |
| C15 | C16 | H25 | 109.5° | 109.5° |
| C15 | C16 | H26 | 109.5° | 109.5° |
| C15 | C16 | H27 | 109.5° | 109.5° |
| C15 | C14 | N13 | 108.2° | 109.4° |
| C15 | C14 | C18 | 108.2° | 109.5° |
| C14 | C15 | H9 | 109.8° | 109.4° |
| C15 | C14 | H24 | 110.3° | 109.5° |
| N13 | C14 | C18 | 108.2° | 109.5° |
| C14 | N13 | H23 | 120.7° | 120.0° |
| N13 | C14 | H24 | 111.3° | 109.5° |
| C14 | C18 | N20 | 117.3° | 120.0° |
| C14 | C18 | O19 | 120.4° | 120.0° |
| C18 | C14 | H24 | 110.4° | 109.5° |
| O3 | C1 | OXT | 125.7° | 120.0° |
| N20 | C18 | O19 | 122.3° | 120.0° |
| C18 | N20 | C21 | 119.5° | 120.0° |
| C18 | N20 | H28 | 120.3° | 120.0° |
| N20 | C21 | C22 | 114.2° | 109.5° |
| N20 | C21 | C25 | 110.4° | 109.5° |
| N20 | C21 | H13 | 107.5° | 109.5° |
| C21 | N20 | H28 | 120.2° | 120.0° |
| C23 | C22 | C24 | 109.7° | 109.5° |
| C23 | C22 | C21 | 109.9° | 109.5° |
| C23 | C22 | H14 | 109.7° | 109.5° |
| C22 | C23 | H29 | 109.5° | 109.5° |
| C22 | C23 | H30 | 109.4° | 109.5° |
| C22 | C23 | H31 | 109.5° | 109.4° |
| O26 | C25 | C21 | 117.9° | 120.0° |
| O26 | C25 | O27 | 126.4° | 120.0° |
| C24 | C22 | C21 | 107.9° | 109.5° |
| C24 | C22 | H14 | 109.9° | 109.4° |
| C22 | C24 | H15 | 109.5° | 109.4° |
| C22 | C24 | H16 | 109.5° | 109.5° |
| C22 | C24 | H17 | 109.5° | 109.4° |
| C22 | C21 | C25 | 110.5° | 109.5° |
| C22 | C21 | H13 | 106.9° | 109.4° |
| C21 | C22 | H14 | 109.7° | 109.5° |
| C21 | C25 | O27 | 115.6° | 120.0° |
| C25 | C21 | H13 | 107.0° | 109.5° |
| C25 | O27 | C28 | 122.0° | 117.0° |
| O27 | C28 | C61 | 121.4° | 109.5° |
| O27 | C28 | H18 | 106.4° | 109.5° |
| O27 | C28 | H19 | 106.4° | 109.5° |
| C28 | C61 | C62 | 119.7° | 120.0° |
| C28 | C61 | C66 | 120.7° | 120.0° |
| C61 | C28 | H18 | 106.4° | 109.5° |
| C61 | C28 | H19 | 106.4° | 109.4° |
| C62 | C61 | C66 | 119.4° | 120.0° |
| C61 | C62 | C63 | 119.9° | 120.0° |
| C61 | C62 | H32 | 120.1° | 120.0° |
| C61 | C66 | C65 | 120.8° | 120.0° |
| C61 | C66 | H36 | 119.6° | 120.0° |
| C62 | C63 | C64 | 120.3° | 120.0° |
| C63 | C62 | H32 | 120.0° | 120.0° |
| C62 | C63 | H33 | 119.8° | 120.0° |
| C66 | C65 | C64 | 119.6° | 120.0° |
| C66 | C65 | H35 | 120.2° | 120.0° |
| C65 | C66 | H36 | 119.6° | 120.0° |
| C63 | C64 | C65 | 119.9° | 120.0° |
| C64 | C63 | H33 | 119.8° | 120.0° |
| C63 | C64 | H34 | 120.0° | 120.0° |
| C65 | C64 | H34 | 120.0° | 120.0° |
| C64 | C65 | H35 | 120.2° | 120.0° |
| H3 | C6 | H4 | 109.4° | 109.5° |
| H3 | C6 | H5 | 109.5° | 109.4° |
| H4 | C6 | H5 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H6 | C7 | H8 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H10 | C17 | H11 | 109.5° | 109.5° |
| H10 | C17 | H12 | 109.5° | 109.5° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H15 | C24 | H16 | 109.4° | 109.5° |
| H15 | C24 | H17 | 109.5° | 109.5° |
| H16 | C24 | H17 | 109.4° | 109.4° |
| H18 | C28 | H19 | 109.5° | 109.5° |
| H25 | C16 | H26 | 109.4° | 109.4° |
| H25 | C16 | H27 | 109.5° | 109.5° |
| H26 | C16 | H27 | 109.5° | 109.5° |
| H29 | C23 | H30 | 109.5° | 109.5° |
| H29 | C23 | H31 | 109.5° | 109.5° |
| H30 | C23 | H31 | 109.5° | 109.4° |
| C1 | OXT | H20 | 109.5° | 117.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C5 | C4 | C9 | 59.2° | 174.2° |
| C7 | C5 | C4 | C6 | 112.9° | 120.0° |
| C7 | C5 | C4 | H2 | 123.9° | 120.0° |
| C7 | C5 | C6 | H2 | 122.5° | 120.0° |
| C7 | C5 | C4 | C1 | 177.8° | 65.8° |
| C7 | C5 | C4 | H1 | 61.8° | 54.2° |
| C7 | C5 | C6 | H3 | 180.0° | 61.9° |
| C7 | C5 | C6 | H4 | 60.0° | 58.1° |
| C7 | C5 | C6 | H5 | 60.0° | 178.1° |
| C5 | C7 | H6 | H7 | 120.0° | 120.0° |
| C5 | C7 | H6 | H8 | 120.0° | 120.0° |
| C5 | C7 | H7 | H8 | 120.0° | 120.0° |
| O12 | C11 | C9 | N13 | 179.1° | 179.9° |
| O12 | C11 | C9 | O10 | 161.3° | 5.4° |
| O12 | C11 | C9 | C4 | 84.0° | 114.6° |
| O12 | C11 | N13 | C14 | 1.0° | 4.7° |
| O12 | C11 | C9 | H21 | 37.2° | 125.4° |
| O12 | C11 | N13 | H23 | 179.1° | 175.2° |
| C17 | C15 | C16 | C14 | 120.0° | 120.0° |
| C17 | C15 | C16 | H9 | 120.2° | 120.1° |
| C17 | C15 | C14 | H9 | 121.2° | 120.0° |
| C17 | C15 | C14 | N13 | 58.9° | 56.1° |
| C17 | C15 | C14 | C18 | 176.0° | 64.0° |
| C15 | C17 | H10 | H11 | 120.0° | 120.0° |
| C15 | C17 | H10 | H12 | 120.0° | 119.9° |
| C15 | C17 | H11 | H12 | 120.0° | 120.0° |
| C17 | C15 | C14 | H24 | 63.2° | 176.1° |
| C17 | C15 | C16 | H25 | 180.0° | 55.1° |
| C17 | C15 | C16 | H26 | 60.0° | 64.8° |
| C17 | C15 | C16 | H27 | 60.0° | 175.2° |
| C11 | C9 | O10 | C4 | 116.5° | 120.0° |
| C11 | C9 | O10 | H21 | 123.1° | 119.9° |
| C11 | C9 | C4 | H21 | 121.2° | 120.0° |
| C11 | C9 | C4 | C5 | 176.9° | 177.7° |
| C11 | C9 | C4 | C1 | 64.6° | 62.2° |
| C9 | C11 | N13 | C14 | 180.0° | 175.2° |
| C11 | C9 | C4 | H1 | 55.9° | 57.8° |
| C11 | C9 | O10 | H22 | 180.0° | 60.0° |
| C9 | C11 | N13 | H23 | 0.0° | 4.9° |
| O10 | C9 | C4 | H21 | 121.5° | 120.0° |
| O10 | C9 | C11 | N13 | 19.6° | 174.7° |
| O10 | C9 | C4 | C5 | 65.8° | 62.3° |
| O10 | C9 | C4 | C1 | 52.6° | 57.8° |
| O10 | C9 | C4 | H1 | 173.2° | 177.8° |
| C4 | C9 | C11 | N13 | 95.1° | 65.3° |
| C9 | C4 | C5 | C1 | 118.6° | 120.1° |
| C9 | C4 | C5 | H1 | 120.9° | 119.9° |
| C9 | C4 | C5 | C6 | 172.1° | 54.2° |
| C9 | C4 | C1 | H1 | 120.5° | 120.0° |
| C9 | C4 | C1 | O3 | 128.4° | 0.0° |
| C9 | C4 | C5 | H2 | 64.7° | 65.9° |
| C4 | C9 | O10 | H22 | 63.5° | 60.0° |
| C9 | C4 | C1 | OXT | 46.9° | 180.0° |
| C11 | N13 | C14 | C15 | 128.0° | 85.1° |
| C11 | N13 | C14 | H23 | 180.0° | 179.9° |
| C11 | N13 | C14 | C18 | 114.9° | 154.9° |
| N13 | C11 | C9 | H21 | 143.7° | 54.7° |
| C11 | N13 | C14 | H24 | 6.6° | 34.9° |
| C4 | C5 | C6 | H2 | 123.2° | 120.0° |
| C5 | C4 | C1 | H1 | 120.4° | 120.0° |
| C5 | C4 | C1 | O3 | 112.4° | 120.0° |
| C4 | C5 | C6 | H3 | 65.7° | 58.1° |
| C4 | C5 | C6 | H4 | 174.3° | 178.1° |
| C4 | C5 | C6 | H5 | 54.4° | 61.9° |
| C4 | C5 | C7 | H6 | 180.0° | 60.0° |
| C4 | C5 | C7 | H7 | 60.0° | 180.0° |
| C4 | C5 | C7 | H8 | 60.0° | 60.0° |
| C5 | C4 | C9 | H21 | 55.7° | 57.7° |
| C5 | C4 | C1 | OXT | 72.3° | 60.0° |
| C6 | C5 | C4 | C1 | 69.3° | 174.2° |
| C6 | C5 | C4 | H1 | 51.2° | 65.7° |
| C5 | C6 | H3 | H4 | 120.0° | 120.1° |
| C5 | C6 | H3 | H5 | 120.0° | 119.9° |
| C5 | C6 | H4 | H5 | 120.0° | 120.0° |
| C6 | C5 | C7 | H6 | 66.3° | 180.0° |
| C6 | C5 | C7 | H7 | 173.6° | 60.0° |
| C6 | C5 | C7 | H8 | 53.7° | 60.0° |
| C4 | C1 | O3 | OXT | 174.7° | 179.9° |
| C1 | C4 | C5 | H2 | 53.9° | 54.2° |
| C1 | C4 | C9 | H21 | 174.2° | 177.8° |
| C4 | C1 | OXT | H20 | 175.1° | 180.0° |
| C16 | C15 | C14 | H9 | 119.7° | 119.9° |
| C16 | C15 | C14 | N13 | 178.0° | 64.0° |
| C16 | C15 | C14 | C18 | 65.0° | 176.0° |
| C16 | C15 | C17 | H10 | 180.0° | 60.0° |
| C16 | C15 | C17 | H11 | 60.0° | 180.0° |
| C16 | C15 | C17 | H12 | 60.0° | 60.0° |
| C16 | C15 | C14 | H24 | 55.9° | 56.0° |
| C15 | C16 | H25 | H26 | 120.0° | 119.9° |
| C15 | C16 | H25 | H27 | 120.0° | 120.1° |
| C15 | C16 | H26 | H27 | 120.0° | 120.1° |
| C15 | C14 | N13 | C18 | 117.1° | 120.0° |
| C15 | C14 | N13 | H24 | 121.5° | 120.0° |
| C15 | C14 | C18 | H24 | 120.9° | 120.0° |
| C15 | C14 | C18 | N20 | 107.9° | 78.6° |
| C15 | C14 | C18 | O19 | 74.0° | 101.4° |
| C14 | C15 | C17 | H10 | 61.4° | 60.0° |
| C14 | C15 | C17 | H11 | 178.6° | 60.0° |
| C14 | C15 | C17 | H12 | 58.6° | 180.0° |
| C15 | C14 | N13 | H23 | 51.9° | 95.1° |
| C14 | C15 | C16 | H25 | 60.0° | 64.9° |
| C14 | C15 | C16 | H26 | 60.0° | 175.2° |
| C14 | C15 | C16 | H27 | 180.0° | 55.2° |
| N13 | C14 | C18 | H24 | 122.1° | 120.0° |
| N13 | C14 | C18 | N20 | 135.0° | 161.4° |
| N13 | C14 | C18 | O19 | 43.1° | 18.6° |
| N13 | C14 | C15 | H9 | 62.3° | 176.1° |
| C14 | C18 | N20 | O19 | 178.0° | 180.0° |
| C14 | C18 | N20 | C21 | 180.0° | 174.7° |
| C18 | C14 | C15 | H9 | 54.7° | 56.0° |
| C18 | C14 | N13 | H23 | 65.1° | 24.9° |
| C14 | C18 | N20 | H28 | 0.0° | 5.4° |
| O3 | C1 | C4 | H1 | 8.0° | 120.0° |
| O3 | C1 | OXT | H20 | 0.0° | 0.0° |
| C18 | N20 | C21 | H28 | 180.0° | 179.9° |
| C18 | N20 | C21 | C22 | 131.4° | 85.0° |
| C18 | N20 | C21 | C25 | 103.4° | 155.0° |
| C18 | N20 | C21 | H13 | 13.0° | 35.0° |
| N20 | C18 | C14 | H24 | 12.9° | 41.3° |
| O19 | C18 | N20 | C21 | 2.0° | 5.3° |
| O19 | C18 | C14 | H24 | 165.2° | 138.6° |
| O19 | C18 | N20 | H28 | 178.0° | 174.6° |
| N20 | C21 | C22 | C23 | 56.4° | 60.0° |
| N20 | C21 | C25 | O26 | 19.0° | 0.0° |
| N20 | C21 | C22 | C24 | 63.2° | 180.0° |
| N20 | C21 | C22 | C25 | 125.2° | 120.0° |
| N20 | C21 | C22 | H13 | 118.7° | 120.0° |
| N20 | C21 | C25 | H13 | 116.7° | 120.0° |
| N20 | C21 | C25 | O27 | 164.1° | 180.0° |
| N20 | C21 | C22 | H14 | 177.1° | 60.0° |
| C23 | C22 | C24 | C21 | 119.7° | 120.0° |
| C23 | C22 | C24 | H14 | 120.7° | 120.0° |
| C23 | C22 | C21 | H14 | 120.7° | 120.0° |
| C23 | C22 | C21 | C25 | 68.8° | 180.0° |
| C23 | C22 | C21 | H13 | 175.1° | 60.1° |
| C23 | C22 | C24 | H15 | 180.0° | 60.0° |
| C23 | C22 | C24 | H16 | 60.0° | 60.0° |
| C23 | C22 | C24 | H17 | 60.0° | 180.0° |
| C22 | C23 | H29 | H30 | 120.0° | 120.1° |
| C22 | C23 | H29 | H31 | 120.0° | 120.0° |
| C22 | C23 | H30 | H31 | 120.0° | 119.9° |
| O26 | C25 | C21 | C22 | 108.3° | 120.0° |
| O26 | C25 | C21 | O27 | 176.9° | 180.0° |
| O26 | C25 | O27 | C28 | 3.5° | 0.0° |
| O26 | C25 | C21 | H13 | 135.7° | 120.0° |
| C24 | C22 | C21 | H14 | 119.8° | 120.0° |
| C24 | C22 | C21 | C25 | 171.7° | 60.0° |
| C24 | C22 | C21 | H13 | 55.6° | 60.0° |
| C22 | C24 | H15 | H16 | 120.0° | 120.0° |
| C22 | C24 | H15 | H17 | 120.0° | 120.0° |
| C22 | C24 | H16 | H17 | 120.0° | 119.9° |
| C24 | C22 | C23 | H29 | 180.0° | 180.0° |
| C24 | C22 | C23 | H30 | 60.0° | 59.9° |
| C24 | C22 | C23 | H31 | 60.0° | 60.0° |
| C22 | C21 | C25 | H13 | 116.0° | 120.0° |
| C22 | C21 | C25 | O27 | 68.5° | 60.0° |
| C21 | C22 | C24 | H15 | 60.3° | 60.0° |
| C21 | C22 | C24 | H16 | 59.7° | 180.0° |
| C21 | C22 | C24 | H17 | 179.6° | 60.0° |
| C22 | C21 | N20 | H28 | 48.6° | 95.1° |
| C21 | C22 | C23 | H29 | 61.6° | 59.9° |
| C21 | C22 | C23 | H30 | 178.5° | 180.0° |
| C21 | C22 | C23 | H31 | 58.4° | 60.0° |
| C21 | C25 | O27 | C28 | 180.0° | 180.0° |
| C25 | C21 | C22 | H14 | 51.9° | 60.0° |
| C25 | C21 | N20 | H28 | 76.6° | 24.9° |
| C25 | O27 | C28 | C61 | 180.0° | 180.0° |
| O27 | C25 | C21 | H13 | 47.5° | 60.0° |
| C25 | O27 | C28 | H18 | 58.4° | 60.0° |
| C25 | O27 | C28 | H19 | 58.3° | 60.0° |
| O27 | C28 | C61 | H18 | 121.7° | 120.0° |
| O27 | C28 | C61 | H19 | 121.7° | 120.0° |
| O27 | C28 | C61 | C62 | 167.4° | 90.0° |
| O27 | C28 | C61 | C66 | 7.2° | 90.3° |
| O27 | C28 | H18 | H19 | 114.7° | 120.0° |
| C28 | C61 | C62 | C66 | 174.7° | 179.7° |
| C28 | C61 | C62 | C63 | 178.3° | 180.0° |
| C28 | C61 | C66 | C65 | 179.0° | 179.8° |
| C61 | C28 | H18 | H19 | 114.6° | 120.0° |
| C28 | C61 | C62 | H32 | 1.7° | 0.1° |
| C28 | C61 | C66 | H36 | 1.0° | 0.0° |
| C61 | C62 | C63 | H32 | 180.0° | 179.9° |
| C62 | C61 | C66 | C65 | 4.3° | 0.5° |
| C61 | C62 | C63 | C64 | 1.4° | 0.1° |
| C62 | C61 | C28 | H18 | 70.9° | 30.0° |
| C62 | C61 | C28 | H19 | 45.8° | 150.0° |
| C61 | C62 | C63 | H33 | 178.6° | 179.9° |
| C62 | C61 | C66 | H36 | 175.7° | 179.7° |
| C66 | C61 | C62 | C63 | 3.5° | 0.3° |
| C61 | C66 | C65 | H36 | 180.0° | 179.8° |
| C61 | C66 | C65 | C64 | 2.9° | 0.4° |
| C66 | C61 | C28 | H18 | 114.4° | 149.7° |
| C66 | C61 | C28 | H19 | 128.9° | 29.8° |
| C66 | C61 | C62 | H32 | 176.4° | 179.8° |
| C61 | C66 | C65 | H35 | 177.1° | 179.7° |
| C62 | C63 | C64 | H33 | 180.0° | 180.0° |
| C62 | C63 | C64 | C65 | 0.0° | 0.0° |
| C62 | C63 | C64 | H34 | 180.0° | 180.0° |
| C66 | C65 | C64 | C63 | 0.8° | 0.2° |
| C66 | C65 | C64 | H35 | 180.0° | 179.9° |
| C66 | C65 | C64 | H34 | 179.3° | 179.8° |
| C63 | C64 | C65 | H34 | 180.0° | 180.0° |
| C64 | C63 | C62 | H32 | 178.6° | 180.0° |
| C63 | C64 | C65 | H35 | 179.2° | 180.0° |
| C65 | C64 | C63 | H33 | 180.0° | 180.0° |
| C64 | C65 | C66 | H36 | 177.1° | 179.8° |
| H1 | C4 | C5 | H2 | 174.3° | 174.2° |
| H1 | C4 | C9 | H21 | 65.3° | 62.2° |
| H1 | C4 | C1 | OXT | 167.3° | 60.0° |
| H2 | C5 | C6 | H3 | 57.5° | 178.1° |
| H2 | C5 | C6 | H4 | 62.5° | 61.9° |
| H2 | C5 | C6 | H5 | 177.6° | 58.2° |
| H2 | C5 | C7 | H6 | 56.1° | 60.0° |
| H2 | C5 | C7 | H7 | 63.9° | 60.0° |
| H2 | C5 | C7 | H8 | 176.1° | 180.0° |
| H3 | C6 | H4 | H5 | 120.0° | 119.9° |
| H6 | C7 | H7 | H8 | 120.0° | 120.0° |
| H9 | C15 | C17 | H10 | 59.8° | 180.0° |
| H9 | C15 | C17 | H11 | 60.2° | 60.0° |
| H9 | C15 | C17 | H12 | 179.8° | 60.1° |
| H9 | C15 | C14 | H24 | 175.6° | 63.9° |
| H9 | C15 | C16 | H25 | 59.8° | 175.2° |
| H9 | C15 | C16 | H26 | 179.7° | 55.3° |
| H9 | C15 | C16 | H27 | 60.2° | 64.8° |
| H10 | C17 | H11 | H12 | 120.0° | 120.0° |
| H13 | C21 | C22 | H14 | 64.2° | 179.9° |
| H13 | C21 | N20 | H28 | 167.0° | 144.9° |
| H14 | C22 | C24 | H15 | 59.3° | NaN° |
| H14 | C22 | C24 | H16 | 179.3° | 60.0° |
| H14 | C22 | C24 | H17 | 60.7° | 60.0° |
| H14 | C22 | C23 | H29 | 59.1° | 60.0° |
| H14 | C22 | C23 | H30 | 60.9° | 60.0° |
| H14 | C22 | C23 | H31 | 179.1° | 180.0° |
| H15 | C24 | H16 | H17 | 120.0° | 120.1° |
| H21 | C9 | O10 | H22 | 56.9° | 180.0° |
| H23 | N13 | C14 | H24 | 173.4° | 145.0° |
| H25 | C16 | H26 | H27 | 120.0° | 120.0° |
| H29 | C23 | H30 | H31 | 120.0° | 120.0° |
| H32 | C62 | C63 | H33 | 1.4° | 0.1° |
| H33 | C63 | C64 | H34 | 0.0° | 0.0° |
| H34 | C64 | C65 | H35 | 0.7° | 0.1° |
| H35 | C65 | C66 | H36 | 2.9° | 0.1° |
