A1EFR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | N17 | sing | 1.47Å | 1.34Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C20 | N17 | sing | 1.47Å | 1.26Å | |
| C20 | C21 | sing | 1.51Å | 1.54Å | |
| C25 | C24 | sing | 1.38Å | 1.34Å | Aromatic |
| N17 | C18 | sing | 1.47Å | 1.41Å | |
| C21 | C22 | doub | 1.38Å | 1.35Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | N14 | sing | 1.47Å | 1.44Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| N14 | C19 | sing | 1.47Å | 1.30Å | |
| N14 | C13 | sing | 1.47Å | 1.35Å | |
| C12 | C13 | sing | 1.53Å | 1.48Å | |
| C12 | O27 | sing | 1.43Å | 1.46Å | |
| C12 | C11 | sing | 1.53Å | 1.56Å | |
| C11 | O10 | sing | 1.43Å | 1.35Å | |
| O10 | C07 | sing | 1.36Å | 1.43Å | |
| C07 | C08 | doub | 1.39Å | 1.44Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.41Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| O28 | C06 | sing | 1.36Å | 1.32Å | |
| O28 | C29 | sing | 1.43Å | 1.47Å | |
| C06 | C05 | doub | 1.38Å | 1.44Å | Aromatic |
| C09 | C04 | doub | 1.40Å | 1.44Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.48Å | 1.47Å | |
| C03 | C02 | doub | 1.33Å | 1.36Å | |
| C02 | C01 | sing | 1.51Å | 1.55Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| C26 | H16 | sing | 1.08Å | 1.08Å | |
| C01 | H17 | sing | 1.09Å | 1.10Å | |
| C01 | H18 | sing | 1.09Å | 1.10Å | |
| C01 | H19 | sing | 1.09Å | 1.10Å | |
| C02 | H20 | sing | 1.08Å | 1.08Å | |
| C03 | H21 | sing | 1.08Å | 1.08Å | |
| C05 | H22 | sing | 1.08Å | 1.08Å | |
| C08 | H23 | sing | 1.08Å | 1.08Å | |
| C09 | H24 | sing | 1.08Å | 1.08Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| O27 | H34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C26 | C21 | 120.8° | 120.0° |
| C26 | C25 | C24 | 119.8° | 120.0° |
| C26 | C25 | H15 | 120.1° | 120.1° |
| C25 | C26 | H16 | 119.6° | 120.0° |
| C26 | C21 | C20 | 120.6° | 120.0° |
| C26 | C21 | C22 | 119.8° | 120.0° |
| C21 | C26 | H16 | 119.6° | 120.0° |
| N17 | C16 | C15 | 108.8° | 109.4° |
| C16 | N17 | C20 | 107.1° | 111.0° |
| C16 | N17 | C18 | 111.7° | 110.9° |
| N17 | C16 | H3 | 109.6° | 109.5° |
| N17 | C16 | H4 | 109.6° | 109.5° |
| C16 | C15 | N14 | 111.1° | 109.4° |
| C15 | C16 | H3 | 109.7° | 109.5° |
| C15 | C16 | H4 | 109.6° | 109.5° |
| C16 | C15 | H6 | 109.1° | 109.5° |
| C16 | C15 | H7 | 109.1° | 109.5° |
| N17 | C20 | C21 | 109.7° | 109.5° |
| C20 | N17 | C18 | 109.5° | 111.0° |
| N17 | C20 | H10 | 109.4° | 109.4° |
| N17 | C20 | H11 | 109.4° | 109.5° |
| C20 | C21 | C22 | 119.6° | 120.0° |
| C21 | C20 | H10 | 109.4° | 109.5° |
| C21 | C20 | H11 | 109.4° | 109.5° |
| C25 | C24 | C23 | 119.2° | 120.0° |
| C25 | C24 | H14 | 120.4° | 120.0° |
| C24 | C25 | H15 | 120.1° | 120.0° |
| N17 | C18 | C19 | 114.1° | 109.4° |
| N17 | C18 | H25 | 108.3° | 109.4° |
| N17 | C18 | H26 | 108.3° | 109.5° |
| C21 | C22 | C23 | 119.3° | 120.0° |
| C21 | C22 | H12 | 120.4° | 120.0° |
| C24 | C23 | C22 | 121.1° | 120.0° |
| C24 | C23 | H13 | 119.5° | 120.0° |
| C23 | C24 | H14 | 120.4° | 119.9° |
| C23 | C22 | H12 | 120.3° | 120.0° |
| C22 | C23 | H13 | 119.5° | 120.0° |
| C15 | N14 | C19 | 111.4° | 110.8° |
| C15 | N14 | C13 | 109.4° | 111.0° |
| N14 | C15 | H6 | 109.1° | 109.5° |
| N14 | C15 | H7 | 109.0° | 109.5° |
| C18 | C19 | N14 | 109.8° | 109.4° |
| C19 | C18 | H25 | 108.3° | 109.5° |
| C19 | C18 | H26 | 108.3° | 109.5° |
| C18 | C19 | H27 | 109.4° | 109.5° |
| C18 | C19 | H28 | 109.4° | 109.5° |
| C19 | N14 | C13 | 110.6° | 111.0° |
| N14 | C19 | H27 | 109.4° | 109.5° |
| N14 | C19 | H28 | 109.4° | 109.5° |
| N14 | C13 | C12 | 108.0° | 109.5° |
| N14 | C13 | H8 | 109.8° | 109.5° |
| N14 | C13 | H9 | 109.8° | 109.5° |
| C13 | C12 | O27 | 105.4° | 109.5° |
| C13 | C12 | C11 | 112.2° | 109.5° |
| C13 | C12 | H5 | 110.7° | 109.4° |
| C12 | C13 | H8 | 109.8° | 109.5° |
| C12 | C13 | H9 | 109.8° | 109.5° |
| O27 | C12 | C11 | 107.8° | 109.5° |
| O27 | C12 | H5 | 111.1° | 109.5° |
| C12 | O27 | H34 | 109.5° | 114.0° |
| C12 | C11 | O10 | 107.3° | 109.5° |
| C12 | C11 | H1 | 110.0° | 109.5° |
| C12 | C11 | H2 | 110.0° | 109.5° |
| C11 | C12 | H5 | 109.6° | 109.5° |
| C11 | O10 | C07 | 116.7° | 117.1° |
| O10 | C11 | H1 | 110.0° | 109.4° |
| O10 | C11 | H2 | 110.0° | 109.4° |
| O10 | C07 | C08 | 117.0° | 119.9° |
| O10 | C07 | C06 | 123.7° | 120.0° |
| C08 | C07 | C06 | 119.3° | 120.1° |
| C07 | C08 | C09 | 120.4° | 120.1° |
| C07 | C08 | H23 | 119.8° | 119.9° |
| C07 | C06 | O28 | 123.6° | 120.0° |
| C07 | C06 | C05 | 120.3° | 120.0° |
| C08 | C09 | C04 | 119.4° | 120.0° |
| C09 | C08 | H23 | 119.8° | 120.0° |
| C08 | C09 | H24 | 120.3° | 120.0° |
| C06 | O28 | C29 | 111.2° | 117.0° |
| O28 | C06 | C05 | 116.1° | 120.0° |
| O28 | C29 | H29 | 109.5° | 109.4° |
| O28 | C29 | H30 | 109.5° | 109.5° |
| O28 | C29 | H31 | 109.5° | 109.4° |
| C06 | C05 | C04 | 119.4° | 119.9° |
| C06 | C05 | H22 | 120.3° | 120.1° |
| C09 | C04 | C05 | 121.2° | 119.8° |
| C09 | C04 | C03 | 120.0° | 120.0° |
| C04 | C09 | H24 | 120.3° | 120.0° |
| C05 | C04 | C03 | 118.8° | 120.1° |
| C04 | C05 | H22 | 120.3° | 120.0° |
| C04 | C03 | C02 | 120.1° | 120.0° |
| C04 | C03 | H21 | 120.0° | 120.0° |
| C03 | C02 | C01 | 116.9° | 120.0° |
| C03 | C02 | H20 | 121.6° | 120.0° |
| C02 | C03 | H21 | 119.9° | 120.0° |
| C02 | C01 | H17 | 109.5° | 109.5° |
| C02 | C01 | H18 | 109.5° | 109.5° |
| C02 | C01 | H19 | 109.5° | 109.4° |
| C01 | C02 | H20 | 121.6° | 120.0° |
| H1 | C11 | H2 | 109.5° | 109.5° |
| H3 | C16 | H4 | 109.5° | 109.5° |
| H6 | C15 | H7 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H10 | C20 | H11 | 109.5° | 109.5° |
| H17 | C01 | H18 | 109.5° | 109.5° |
| H17 | C01 | H19 | 109.5° | 109.5° |
| H18 | C01 | H19 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| H27 | C19 | H28 | 109.5° | 109.5° |
| H29 | C29 | H30 | 109.5° | 109.5° |
| H29 | C29 | H31 | 109.5° | 109.4° |
| H30 | C29 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C26 | C21 | H16 | 180.0° | 179.5° |
| C25 | C26 | C21 | C20 | 179.5° | 179.7° |
| C26 | C25 | C24 | H15 | 180.0° | 179.7° |
| C25 | C26 | C21 | C22 | 0.4° | 0.5° |
| C26 | C25 | C24 | C23 | 0.3° | 0.3° |
| C26 | C25 | C24 | H14 | 179.7° | 179.7° |
| C26 | C21 | C20 | N17 | 44.7° | 90.2° |
| C26 | C21 | C20 | C22 | 179.0° | 179.8° |
| C21 | C26 | C25 | C24 | 0.0° | 0.5° |
| C26 | C21 | C22 | C23 | 0.6° | 0.2° |
| C26 | C21 | C20 | H10 | 164.8° | 29.7° |
| C26 | C21 | C20 | H11 | 75.3° | 149.8° |
| C26 | C21 | C22 | H12 | 179.4° | 179.8° |
| C21 | C26 | C25 | H15 | 180.0° | 179.7° |
| N17 | C16 | C15 | H3 | 119.9° | 119.9° |
| N17 | C16 | C15 | H4 | 119.9° | 119.9° |
| C16 | N17 | C20 | C18 | 121.3° | 123.8° |
| C16 | N17 | C20 | C21 | 174.5° | 170.0° |
| N17 | C16 | C15 | N14 | 62.2° | 58.4° |
| C16 | N17 | C18 | C19 | 49.2° | 59.3° |
| N17 | C16 | H3 | H4 | 120.3° | 120.0° |
| N17 | C16 | C15 | H6 | 177.6° | 178.4° |
| N17 | C16 | C15 | H7 | 58.1° | 61.6° |
| C16 | N17 | C20 | H10 | 65.4° | 50.0° |
| C16 | N17 | C20 | H11 | 54.5° | 70.0° |
| C16 | N17 | C18 | H25 | 71.5° | 60.7° |
| C16 | N17 | C18 | H26 | 169.8° | 179.3° |
| C15 | C16 | N17 | C20 | 113.3° | 64.5° |
| C15 | C16 | N17 | C18 | 6.5° | 59.3° |
| C16 | C15 | N14 | H6 | 120.2° | 120.0° |
| C16 | C15 | N14 | H7 | 120.2° | 120.0° |
| C16 | C15 | N14 | C19 | 57.4° | 59.3° |
| C16 | C15 | N14 | C13 | 180.0° | 176.8° |
| C15 | C16 | H3 | H4 | 120.3° | 120.1° |
| C16 | C15 | H6 | H7 | 119.3° | 120.0° |
| N17 | C20 | C21 | H10 | 120.0° | 119.9° |
| N17 | C20 | C21 | H11 | 120.0° | 120.0° |
| N17 | C20 | C21 | C22 | 136.2° | 90.0° |
| C20 | N17 | C18 | C19 | 167.7° | 64.5° |
| C20 | N17 | C16 | H3 | 126.7° | 55.4° |
| C20 | N17 | C16 | H4 | 6.5° | 175.5° |
| N17 | C20 | H10 | H11 | 119.8° | 120.0° |
| C20 | N17 | C18 | H25 | 47.0° | 175.5° |
| C20 | N17 | C18 | H26 | 71.7° | 55.5° |
| C21 | C20 | N17 | C18 | 64.2° | 66.2° |
| C20 | C21 | C22 | C23 | 179.6° | 180.0° |
| C21 | C20 | H10 | H11 | 119.9° | 120.0° |
| C20 | C21 | C22 | H12 | 0.4° | 0.0° |
| C20 | C21 | C26 | H16 | 0.5° | 0.3° |
| C25 | C24 | C23 | H14 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.2° | 0.0° |
| C25 | C24 | C23 | H13 | 179.8° | 179.9° |
| C24 | C25 | C26 | H16 | 180.0° | 180.0° |
| N17 | C18 | C19 | H25 | 120.7° | 119.9° |
| N17 | C18 | C19 | H26 | 120.7° | 120.0° |
| N17 | C18 | C19 | N14 | 54.2° | 58.4° |
| C18 | N17 | C16 | H3 | 113.4° | 179.3° |
| C18 | N17 | C16 | H4 | 126.4° | 60.7° |
| C18 | N17 | C20 | H10 | 55.9° | 173.8° |
| C18 | N17 | C20 | H11 | 175.8° | 53.8° |
| N17 | C18 | H25 | H26 | 117.9° | 120.0° |
| N17 | C18 | C19 | H27 | 174.3° | 61.6° |
| N17 | C18 | C19 | H28 | 65.8° | 178.4° |
| C21 | C22 | C23 | C24 | 0.3° | 0.1° |
| C21 | C22 | C23 | H12 | 180.0° | 180.0° |
| C22 | C21 | C20 | H10 | 16.2° | 150.0° |
| C22 | C21 | C20 | H11 | 103.8° | 30.0° |
| C21 | C22 | C23 | H13 | 179.7° | 179.9° |
| C22 | C21 | C26 | H16 | 179.6° | 180.0° |
| C24 | C23 | C22 | H13 | 180.0° | 179.9° |
| C24 | C23 | C22 | H12 | 179.7° | 180.0° |
| C23 | C24 | C25 | H15 | 179.7° | 180.0° |
| C22 | C23 | C24 | H14 | 179.8° | 180.0° |
| C15 | N14 | C19 | C18 | 1.5° | 59.3° |
| C15 | N14 | C19 | C13 | 121.9° | 123.9° |
| C15 | N14 | C13 | C12 | 113.7° | 75.8° |
| N14 | C15 | C16 | H3 | 57.7° | 178.4° |
| N14 | C15 | C16 | H4 | 177.9° | 61.5° |
| N14 | C15 | H6 | H7 | 119.3° | 120.1° |
| C15 | N14 | C13 | H8 | 6.1° | 164.2° |
| C15 | N14 | C13 | H9 | 126.6° | 44.2° |
| C15 | N14 | C19 | H27 | 118.6° | 60.7° |
| C15 | N14 | C19 | H28 | 121.5° | 179.3° |
| C18 | C19 | N14 | H27 | 120.1° | 120.0° |
| C18 | C19 | N14 | H28 | 120.1° | 120.0° |
| C18 | C19 | N14 | C13 | 123.3° | 176.8° |
| C19 | C18 | H25 | H26 | 117.9° | 120.1° |
| C18 | C19 | H27 | H28 | 119.9° | 120.0° |
| C19 | N14 | C13 | C12 | 123.3° | 160.4° |
| C19 | N14 | C15 | H6 | 177.7° | 179.3° |
| C19 | N14 | C15 | H7 | 62.8° | 60.7° |
| C19 | N14 | C13 | H8 | 116.9° | 40.5° |
| C19 | N14 | C13 | H9 | 3.5° | 79.6° |
| N14 | C19 | C18 | H25 | 66.5° | 61.5° |
| N14 | C19 | C18 | H26 | 174.9° | 178.4° |
| N14 | C19 | H27 | H28 | 119.8° | 120.0° |
| N14 | C13 | C12 | H8 | 119.8° | 120.0° |
| N14 | C13 | C12 | H9 | 119.7° | 120.0° |
| N14 | C13 | C12 | O27 | 80.0° | 62.6° |
| N14 | C13 | C12 | C11 | 162.9° | 177.3° |
| N14 | C13 | C12 | H5 | 40.2° | 57.4° |
| C13 | N14 | C15 | H6 | 59.8° | 56.8° |
| C13 | N14 | C15 | H7 | 59.8° | 63.2° |
| N14 | C13 | H8 | H9 | 120.6° | 120.0° |
| C13 | N14 | C19 | H27 | 3.3° | 63.2° |
| C13 | N14 | C19 | H28 | 116.6° | 56.8° |
| C13 | C12 | O27 | C11 | 120.0° | 120.0° |
| C13 | C12 | O27 | H5 | 119.9° | 120.0° |
| C13 | C12 | C11 | H5 | 123.4° | 120.0° |
| C13 | C12 | C11 | O10 | 139.8° | 175.0° |
| C13 | C12 | C11 | H1 | 100.5° | 55.0° |
| C13 | C12 | C11 | H2 | 20.2° | 65.0° |
| C12 | C13 | H8 | H9 | 120.7° | 120.0° |
| C13 | C12 | O27 | H34 | 180.0° | 60.0° |
| O27 | C12 | C11 | H5 | 121.0° | 120.0° |
| O27 | C12 | C11 | O10 | 24.2° | 65.0° |
| O27 | C12 | C11 | H1 | 143.9° | 175.0° |
| O27 | C12 | C11 | H2 | 95.5° | 55.0° |
| O27 | C12 | C13 | H8 | 160.2° | 57.3° |
| O27 | C12 | C13 | H9 | 39.7° | 177.4° |
| C12 | C11 | O10 | H1 | 119.6° | 120.0° |
| C12 | C11 | O10 | H2 | 119.7° | 120.0° |
| C12 | C11 | O10 | C07 | 145.9° | 180.0° |
| C12 | C11 | H1 | H2 | 121.0° | 120.1° |
| C11 | C12 | C13 | H8 | 43.1° | 62.7° |
| C11 | C12 | C13 | H9 | 77.4° | 57.3° |
| C11 | C12 | O27 | H34 | 59.9° | 60.0° |
| C11 | O10 | C07 | C08 | 123.8° | 0.0° |
| C11 | O10 | C07 | C06 | 57.4° | 179.7° |
| O10 | C11 | H1 | H2 | 121.1° | 119.9° |
| O10 | C11 | C12 | H5 | 96.8° | 55.0° |
| O10 | C07 | C08 | C06 | 178.9° | 179.7° |
| O10 | C07 | C08 | C09 | 179.1° | 180.0° |
| O10 | C07 | C06 | O28 | 0.6° | 0.3° |
| O10 | C07 | C06 | C05 | 179.0° | 179.7° |
| C07 | O10 | C11 | H1 | 94.4° | 60.0° |
| C07 | O10 | C11 | H2 | 26.3° | 60.0° |
| O10 | C07 | C08 | H23 | 0.9° | 0.2° |
| C07 | C08 | C09 | H23 | 180.0° | 179.8° |
| C08 | C07 | C06 | O28 | 179.5° | 180.0° |
| C08 | C07 | C06 | C05 | 0.2° | 0.0° |
| C07 | C08 | C09 | C04 | 0.1° | 0.5° |
| C07 | C08 | C09 | H24 | 179.9° | 180.0° |
| C06 | C07 | C08 | C09 | 0.2° | 0.2° |
| C07 | C06 | O28 | C05 | 179.7° | 180.0° |
| C07 | C06 | O28 | C29 | 142.4° | 179.9° |
| C07 | C06 | C05 | C04 | 0.2° | 0.0° |
| C07 | C06 | C05 | H22 | 179.8° | 180.0° |
| C06 | C07 | C08 | H23 | 179.8° | 180.0° |
| C08 | C09 | C04 | H24 | 180.0° | 179.5° |
| C08 | C09 | C04 | C05 | 0.1° | 0.5° |
| C08 | C09 | C04 | C03 | 179.5° | 179.8° |
| O28 | C06 | C05 | C04 | 179.5° | 180.0° |
| O28 | C06 | C05 | H22 | 0.5° | 0.0° |
| C06 | O28 | C29 | H29 | 180.0° | 180.0° |
| C06 | O28 | C29 | H30 | 60.0° | 60.0° |
| C06 | O28 | C29 | H31 | 60.0° | 60.0° |
| C29 | O28 | C06 | C05 | 37.3° | 0.0° |
| O28 | C29 | H29 | H30 | 120.0° | 120.0° |
| O28 | C29 | H29 | H31 | 120.0° | 119.9° |
| O28 | C29 | H30 | H31 | 120.0° | 120.0° |
| C06 | C05 | C04 | C09 | 0.1° | 0.2° |
| C06 | C05 | C04 | H22 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 179.5° | 179.9° |
| C09 | C04 | C05 | C03 | 179.4° | 179.7° |
| C09 | C04 | C03 | C02 | 2.4° | 0.3° |
| C09 | C04 | C03 | H21 | 177.6° | 179.7° |
| C09 | C04 | C05 | H22 | 179.9° | 179.7° |
| C04 | C09 | C08 | H23 | 179.9° | 179.7° |
| C05 | C04 | C03 | C02 | 177.0° | 180.0° |
| C05 | C04 | C03 | H21 | 3.0° | 0.0° |
| C05 | C04 | C09 | H24 | 179.9° | 180.0° |
| C04 | C03 | C02 | H21 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 179.8° | 180.0° |
| C04 | C03 | C02 | H20 | 0.2° | 0.0° |
| C03 | C04 | C05 | H22 | 0.5° | 0.0° |
| C03 | C04 | C09 | H24 | 0.5° | 0.3° |
| C03 | C02 | C01 | H20 | 180.0° | 179.9° |
| C03 | C02 | C01 | H17 | 180.0° | 180.0° |
| C03 | C02 | C01 | H18 | 60.0° | 60.0° |
| C03 | C02 | C01 | H19 | 60.0° | 60.0° |
| C02 | C01 | H17 | H18 | 120.0° | 120.0° |
| C02 | C01 | H17 | H19 | 120.0° | 120.0° |
| C02 | C01 | H18 | H19 | 120.0° | 120.0° |
| C01 | C02 | C03 | H21 | 0.2° | 0.0° |
| H1 | C11 | C12 | H5 | 22.9° | 65.0° |
| H2 | C11 | C12 | H5 | 143.5° | 175.0° |
| H3 | C16 | C15 | H6 | 62.5° | 61.7° |
| H3 | C16 | C15 | H7 | 178.0° | 58.3° |
| H4 | C16 | C15 | H6 | 57.7° | 58.4° |
| H4 | C16 | C15 | H7 | 61.9° | 178.4° |
| H5 | C12 | C13 | H8 | 79.6° | 177.3° |
| H5 | C12 | C13 | H9 | 159.9° | 62.6° |
| H5 | C12 | O27 | H34 | 60.1° | 180.0° |
| H12 | C22 | C23 | H13 | 0.3° | 0.1° |
| H13 | C23 | C24 | H14 | 0.2° | 0.1° |
| H14 | C24 | C25 | H15 | 0.3° | 0.0° |
| H15 | C25 | C26 | H16 | 0.0° | 0.3° |
| H17 | C01 | H18 | H19 | 120.0° | 120.0° |
| H17 | C01 | C02 | H20 | 0.0° | 0.0° |
| H18 | C01 | C02 | H20 | 120.0° | 120.0° |
| H19 | C01 | C02 | H20 | 120.0° | 119.9° |
| H20 | C02 | C03 | H21 | 179.8° | 179.9° |
| H23 | C08 | C09 | H24 | 0.1° | 0.2° |
| H25 | C18 | C19 | H27 | 53.6° | 178.5° |
| H25 | C18 | C19 | H28 | 173.5° | 58.5° |
| H26 | C18 | C19 | H27 | 65.1° | 58.4° |
| H26 | C18 | C19 | H28 | 54.9° | 61.7° |
| H29 | C29 | H30 | H31 | 120.0° | 120.0° |
