A1ASM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | sing | 1.36Å | 1.40Å | |
| C03 | C02 | doub | 1.39Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| O29 | C28 | sing | 1.36Å | 1.40Å | |
| C28 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.51Å | 1.55Å | |
| C06 | O07 | sing | 1.43Å | 1.39Å | |
| C06 | C08 | sing | 1.53Å | 1.53Å | |
| C08 | N09 | sing | 1.47Å | 1.48Å | |
| N09 | C10 | sing | 1.47Å | 1.49Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.57Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C20 | C19 | sing | 1.53Å | 1.56Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C19 | C18 | sing | 1.53Å | 1.56Å | |
| C13 | C14 | sing | 1.53Å | 1.57Å | |
| C18 | C17 | sing | 1.53Å | 1.55Å | |
| C17 | O16 | sing | 1.43Å | 1.43Å | |
| C15 | C14 | sing | 1.53Å | 1.57Å | |
| C15 | O16 | sing | 1.43Å | 1.44Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C03 | H13 | sing | 1.08Å | 1.08Å | |
| C04 | H14 | sing | 1.08Å | 1.08Å | |
| C06 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.08Å | 1.08Å | |
| C23 | H27 | sing | 1.08Å | 1.08Å | |
| C24 | H28 | sing | 1.08Å | 1.08Å | |
| C25 | H29 | sing | 1.08Å | 1.08Å | |
| C26 | H30 | sing | 1.08Å | 1.08Å | |
| C27 | H31 | sing | 1.08Å | 1.08Å | |
| N09 | H32 | sing | 1.01Å | 1.00Å | |
| O01 | H34 | sing | 0.97Å | 0.95Å | |
| O07 | H35 | sing | 0.97Å | 0.95Å | |
| O29 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 120.0° | 120.1° |
| O01 | C02 | C28 | 120.0° | 120.1° |
| C02 | O01 | H34 | 109.5° | 113.9° |
| C02 | C03 | C04 | 120.0° | 120.0° |
| C03 | C02 | C28 | 120.0° | 119.8° |
| C02 | C03 | H13 | 120.0° | 120.0° |
| C03 | C04 | C05 | 120.0° | 120.1° |
| C04 | C03 | H13 | 120.0° | 119.9° |
| C03 | C04 | H14 | 120.0° | 120.0° |
| C02 | C28 | O29 | 119.8° | 120.0° |
| C02 | C28 | C27 | 120.1° | 119.9° |
| O29 | C28 | C27 | 120.1° | 120.1° |
| C28 | O29 | H36 | 109.5° | 114.0° |
| C28 | C27 | C05 | 119.8° | 120.0° |
| C28 | C27 | H31 | 120.1° | 120.0° |
| C04 | C05 | C27 | 120.1° | 120.2° |
| C04 | C05 | C06 | 119.8° | 119.9° |
| C05 | C04 | H14 | 120.0° | 119.9° |
| C27 | C05 | C06 | 120.2° | 119.9° |
| C05 | C27 | H31 | 120.1° | 120.1° |
| C05 | C06 | O07 | 109.3° | 109.4° |
| C05 | C06 | C08 | 110.1° | 109.5° |
| C05 | C06 | H15 | 108.6° | 109.5° |
| O07 | C06 | C08 | 109.1° | 109.5° |
| O07 | C06 | H15 | 110.9° | 109.5° |
| C06 | O07 | H35 | 109.5° | 114.0° |
| C06 | C08 | N09 | 109.8° | 109.5° |
| C08 | C06 | H15 | 108.8° | 109.5° |
| C06 | C08 | H16 | 109.4° | 109.4° |
| C06 | C08 | H17 | 109.4° | 109.4° |
| C08 | N09 | C10 | 109.5° | 111.0° |
| N09 | C08 | H16 | 109.4° | 109.5° |
| N09 | C08 | H17 | 109.4° | 109.5° |
| C08 | N09 | H32 | 109.4° | 111.0° |
| N09 | C10 | C11 | 109.9° | 109.4° |
| N09 | C10 | H1 | 109.3° | 109.5° |
| N09 | C10 | H2 | 109.4° | 109.5° |
| C10 | N09 | H32 | 109.5° | 111.0° |
| C10 | C11 | C12 | 112.3° | 109.4° |
| C11 | C10 | H1 | 109.4° | 109.5° |
| C11 | C10 | H2 | 109.4° | 109.5° |
| C10 | C11 | H3 | 108.8° | 109.5° |
| C10 | C11 | H4 | 108.8° | 109.5° |
| C24 | C25 | C26 | 120.0° | 120.0° |
| C25 | C24 | C23 | 120.1° | 120.0° |
| C25 | C24 | H28 | 119.9° | 119.9° |
| C24 | C25 | H29 | 120.0° | 120.0° |
| C25 | C26 | C21 | 120.0° | 120.0° |
| C26 | C25 | H29 | 120.0° | 120.0° |
| C25 | C26 | H30 | 120.0° | 120.0° |
| C24 | C23 | C22 | 120.0° | 120.0° |
| C24 | C23 | H27 | 120.0° | 120.0° |
| C23 | C24 | H28 | 120.0° | 120.0° |
| C26 | C21 | C22 | 120.0° | 120.0° |
| C26 | C21 | C20 | 119.9° | 119.9° |
| C21 | C26 | H30 | 120.0° | 120.0° |
| C23 | C22 | C21 | 119.9° | 120.0° |
| C23 | C22 | H26 | 120.0° | 120.0° |
| C22 | C23 | H27 | 120.0° | 120.0° |
| C22 | C21 | C20 | 120.1° | 120.0° |
| C21 | C22 | H26 | 120.1° | 120.0° |
| C21 | C20 | C19 | 111.9° | 109.5° |
| C21 | C20 | H24 | 108.8° | 109.4° |
| C21 | C20 | H25 | 108.9° | 109.5° |
| C11 | C12 | C13 | 112.1° | 109.5° |
| C12 | C11 | H3 | 108.8° | 109.4° |
| C12 | C11 | H4 | 108.7° | 109.4° |
| C11 | C12 | H18 | 108.8° | 109.4° |
| C11 | C12 | H19 | 108.8° | 109.5° |
| C20 | C19 | C18 | 112.6° | 109.5° |
| C20 | C19 | H9 | 108.7° | 109.5° |
| C20 | C19 | H10 | 108.7° | 109.5° |
| C19 | C20 | H24 | 108.9° | 109.5° |
| C19 | C20 | H25 | 108.9° | 109.5° |
| C12 | C13 | C14 | 112.5° | 109.5° |
| C13 | C12 | H18 | 108.8° | 109.4° |
| C13 | C12 | H19 | 108.8° | 109.5° |
| C12 | C13 | H20 | 108.7° | 109.5° |
| C12 | C13 | H21 | 108.7° | 109.4° |
| C19 | C18 | C17 | 111.5° | 109.5° |
| C19 | C18 | H7 | 108.9° | 109.5° |
| C19 | C18 | H8 | 109.0° | 109.4° |
| C18 | C19 | H9 | 108.7° | 109.4° |
| C18 | C19 | H10 | 108.7° | 109.5° |
| C13 | C14 | C15 | 112.2° | 109.5° |
| C13 | C14 | H11 | 108.8° | 109.5° |
| C13 | C14 | H12 | 108.8° | 109.4° |
| C14 | C13 | H20 | 108.7° | 109.5° |
| C14 | C13 | H21 | 108.7° | 109.4° |
| C18 | C17 | O16 | 109.3° | 109.4° |
| C17 | C18 | H7 | 109.0° | 109.5° |
| C17 | C18 | H8 | 108.9° | 109.5° |
| C18 | C17 | H22 | 109.5° | 109.5° |
| C18 | C17 | H23 | 109.5° | 109.5° |
| C17 | O16 | C15 | 113.2° | 114.0° |
| O16 | C17 | H22 | 109.5° | 109.5° |
| O16 | C17 | H23 | 109.5° | 109.5° |
| C14 | C15 | O16 | 108.5° | 109.5° |
| C14 | C15 | H5 | 109.7° | 109.5° |
| C14 | C15 | H6 | 109.7° | 109.5° |
| C15 | C14 | H11 | 108.8° | 109.5° |
| C15 | C14 | H12 | 108.8° | 109.4° |
| O16 | C15 | H5 | 109.7° | 109.5° |
| O16 | C15 | H6 | 109.7° | 109.4° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H3 | C11 | H4 | 109.5° | 109.6° |
| H5 | C15 | H6 | 109.5° | 109.4° |
| H7 | C18 | H8 | 109.5° | 109.5° |
| H9 | C19 | H10 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H16 | C08 | H17 | 109.5° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H20 | C13 | H21 | 109.5° | 109.5° |
| H22 | C17 | H23 | 109.4° | 109.5° |
| H24 | C20 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | C28 | 179.9° | 179.7° |
| O01 | C02 | C03 | C04 | 179.9° | 179.8° |
| O01 | C02 | C28 | O29 | 0.1° | 0.3° |
| O01 | C02 | C28 | C27 | 180.0° | 179.8° |
| O01 | C02 | C03 | H13 | 0.1° | 0.2° |
| C02 | C03 | C04 | H13 | 180.0° | 180.0° |
| C03 | C02 | C28 | O29 | 179.9° | 180.0° |
| C03 | C02 | C28 | C27 | 0.0° | 0.0° |
| C02 | C03 | C04 | C05 | 0.0° | 0.0° |
| C02 | C03 | C04 | H14 | 180.0° | 180.0° |
| C03 | C02 | O01 | H34 | 180.0° | 89.7° |
| C04 | C03 | C02 | C28 | 0.0° | 0.0° |
| C03 | C04 | C05 | H14 | 180.0° | 180.0° |
| C03 | C04 | C05 | C27 | 0.1° | 0.0° |
| C03 | C04 | C05 | C06 | 179.9° | 180.0° |
| C02 | C28 | O29 | C27 | 179.9° | 180.0° |
| C02 | C28 | C27 | C05 | 0.1° | 0.1° |
| C28 | C02 | C03 | H13 | 180.0° | 180.0° |
| C02 | C28 | C27 | H31 | 179.9° | 180.0° |
| C28 | C02 | O01 | H34 | 0.1° | 90.0° |
| C02 | C28 | O29 | H36 | 180.0° | 90.0° |
| O29 | C28 | C27 | C05 | 180.0° | 180.0° |
| O29 | C28 | C27 | H31 | 0.0° | 0.0° |
| C28 | C27 | C05 | C04 | 0.2° | 0.0° |
| C28 | C27 | C05 | H31 | 180.0° | 180.0° |
| C28 | C27 | C05 | C06 | 180.0° | 180.0° |
| C27 | C28 | O29 | H36 | 0.1° | 89.9° |
| C04 | C05 | C27 | C06 | 179.8° | 180.0° |
| C04 | C05 | C06 | O07 | 27.1° | 35.0° |
| C04 | C05 | C06 | C08 | 147.0° | 85.0° |
| C05 | C04 | C03 | H13 | 180.0° | 180.0° |
| C04 | C05 | C06 | H15 | 94.0° | 155.0° |
| C04 | C05 | C27 | H31 | 179.8° | 180.0° |
| C27 | C05 | C06 | O07 | 153.1° | 145.0° |
| C27 | C05 | C06 | C08 | 33.2° | 95.0° |
| C27 | C05 | C04 | H14 | 179.9° | 180.0° |
| C27 | C05 | C06 | H15 | 85.8° | 25.0° |
| C05 | C06 | O07 | C08 | 120.5° | 120.0° |
| C05 | C06 | O07 | H15 | 119.7° | 120.0° |
| C05 | C06 | C08 | H15 | 118.9° | 120.1° |
| C05 | C06 | C08 | N09 | 133.5° | 179.9° |
| C06 | C05 | C04 | H14 | 0.1° | 0.0° |
| C05 | C06 | C08 | H16 | 13.5° | 60.0° |
| C05 | C06 | C08 | H17 | 106.4° | 60.0° |
| C06 | C05 | C27 | H31 | 0.1° | 0.0° |
| C05 | C06 | O07 | H35 | 180.0° | 60.0° |
| O07 | C06 | C08 | H15 | 121.1° | 120.0° |
| O07 | C06 | C08 | N09 | 13.5° | 60.0° |
| O07 | C06 | C08 | H16 | 106.5° | 60.0° |
| O07 | C06 | C08 | H17 | 133.6° | 179.9° |
| C06 | C08 | N09 | H16 | 120.0° | 120.0° |
| C06 | C08 | N09 | H17 | 120.0° | 120.0° |
| C06 | C08 | N09 | C10 | 159.8° | 180.0° |
| C06 | C08 | H16 | H17 | 119.8° | 119.9° |
| C06 | C08 | N09 | H32 | 80.2° | 56.1° |
| C08 | C06 | O07 | H35 | 59.5° | 59.9° |
| C08 | N09 | C10 | H32 | 120.0° | 123.9° |
| C08 | N09 | C10 | C11 | 92.6° | 180.0° |
| C08 | N09 | C10 | H1 | 147.4° | 60.0° |
| C08 | N09 | C10 | H2 | 27.5° | 60.0° |
| N09 | C08 | C06 | H15 | 107.5° | 60.0° |
| N09 | C08 | H16 | H17 | 119.9° | 120.1° |
| N09 | C10 | C11 | H1 | 120.0° | 120.0° |
| N09 | C10 | C11 | H2 | 120.1° | 120.0° |
| N09 | C10 | C11 | C12 | 113.1° | 180.0° |
| N09 | C10 | H1 | H2 | 119.8° | 120.0° |
| N09 | C10 | C11 | H3 | 126.4° | 60.1° |
| N09 | C10 | C11 | H4 | 7.3° | 60.1° |
| C10 | N09 | C08 | H16 | 39.8° | 60.1° |
| C10 | N09 | C08 | H17 | 80.1° | 60.0° |
| C10 | C11 | C12 | H3 | 120.4° | 120.0° |
| C10 | C11 | C12 | H4 | 120.4° | 120.0° |
| C10 | C11 | C12 | C13 | 156.5° | 180.0° |
| C11 | C10 | H1 | H2 | 119.8° | 120.0° |
| C10 | C11 | H3 | H4 | 118.7° | 120.1° |
| C10 | C11 | C12 | H18 | 36.1° | 60.0° |
| C10 | C11 | C12 | H19 | 83.1° | 60.0° |
| C11 | C10 | N09 | H32 | 27.5° | 56.1° |
| C24 | C25 | C26 | H29 | 180.0° | 179.6° |
| C25 | C24 | C23 | H28 | 180.0° | 179.9° |
| C24 | C25 | C26 | C21 | 0.0° | 0.6° |
| C25 | C24 | C23 | C22 | 0.0° | 0.1° |
| C25 | C24 | C23 | H27 | 180.0° | 180.0° |
| C24 | C25 | C26 | H30 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 0.0° | 0.4° |
| C25 | C26 | C21 | H30 | 180.0° | 179.4° |
| C25 | C26 | C21 | C22 | 0.0° | 0.6° |
| C25 | C26 | C21 | C20 | 179.9° | 179.7° |
| C26 | C25 | C24 | H28 | 180.0° | 179.7° |
| C24 | C23 | C22 | H27 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 0.0° | 0.0° |
| C24 | C23 | C22 | H26 | 180.0° | 180.0° |
| C23 | C24 | C25 | H29 | 180.0° | 180.0° |
| C26 | C21 | C22 | C23 | 0.0° | 0.3° |
| C26 | C21 | C22 | C20 | 179.9° | 179.8° |
| C26 | C21 | C20 | C19 | 100.4° | 90.3° |
| C26 | C21 | C20 | H24 | 139.3° | 149.7° |
| C26 | C21 | C20 | H25 | 20.0° | 29.8° |
| C26 | C21 | C22 | H26 | 180.0° | 179.7° |
| C21 | C26 | C25 | H29 | 180.0° | 179.8° |
| C23 | C22 | C21 | H26 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 179.9° | 180.0° |
| C22 | C23 | C24 | H28 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 79.6° | 90.0° |
| C22 | C21 | C20 | H24 | 40.8° | 30.0° |
| C22 | C21 | C20 | H25 | 160.0° | 150.0° |
| C21 | C22 | C23 | H27 | 180.0° | 180.0° |
| C22 | C21 | C26 | H30 | 180.0° | 180.0° |
| C21 | C20 | C19 | H24 | 120.3° | 120.0° |
| C21 | C20 | C19 | H25 | 120.4° | 120.0° |
| C21 | C20 | C19 | C18 | 113.2° | 180.0° |
| C21 | C20 | C19 | H9 | 126.3° | 60.0° |
| C21 | C20 | C19 | H10 | 7.2° | 60.0° |
| C21 | C20 | H24 | H25 | 118.9° | 120.0° |
| C20 | C21 | C22 | H26 | 0.1° | 0.0° |
| C20 | C21 | C26 | H30 | 0.1° | 0.2° |
| C11 | C12 | C13 | H18 | 120.4° | 120.0° |
| C11 | C12 | C13 | H19 | 120.4° | 120.0° |
| C11 | C12 | C13 | C14 | 116.2° | 180.0° |
| C12 | C11 | C10 | H1 | 6.9° | 60.0° |
| C12 | C11 | C10 | H2 | 126.8° | 60.0° |
| C12 | C11 | H3 | H4 | 118.7° | 120.0° |
| C11 | C12 | H18 | H19 | 118.8° | 120.0° |
| C11 | C12 | C13 | H20 | 4.3° | 60.0° |
| C11 | C12 | C13 | H21 | 123.4° | 60.0° |
| C20 | C19 | C18 | H9 | 120.5° | 120.0° |
| C20 | C19 | C18 | H10 | 120.5° | 120.0° |
| C20 | C19 | C18 | C17 | 137.6° | 180.0° |
| C20 | C19 | C18 | H7 | 102.1° | 59.9° |
| C20 | C19 | C18 | H8 | 17.3° | 60.0° |
| C20 | C19 | H9 | H10 | 118.6° | 120.0° |
| C19 | C20 | H24 | H25 | 118.9° | 120.1° |
| C12 | C13 | C14 | H20 | 120.4° | 120.1° |
| C12 | C13 | C14 | H21 | 120.5° | 119.9° |
| C12 | C13 | C14 | C15 | 48.0° | 180.0° |
| C13 | C12 | C11 | H3 | 83.0° | 60.1° |
| C13 | C12 | C11 | H4 | 36.1° | 60.0° |
| C12 | C13 | C14 | H11 | 168.5° | 59.9° |
| C12 | C13 | C14 | H12 | 72.4° | 60.1° |
| C13 | C12 | H18 | H19 | 118.8° | 120.1° |
| C12 | C13 | H20 | H21 | 118.6° | 120.0° |
| C19 | C18 | C17 | H7 | 120.3° | 120.0° |
| C19 | C18 | C17 | H8 | 120.3° | 120.0° |
| C19 | C18 | C17 | O16 | 168.6° | 180.0° |
| C19 | C18 | H7 | H8 | 119.1° | 119.9° |
| C18 | C19 | H9 | H10 | 118.6° | 120.0° |
| C19 | C18 | C17 | H22 | 48.6° | 59.9° |
| C19 | C18 | C17 | H23 | 71.4° | 60.0° |
| C18 | C19 | C20 | H24 | 7.1° | 60.0° |
| C18 | C19 | C20 | H25 | 126.4° | 60.0° |
| C13 | C14 | C15 | H11 | 120.4° | 120.0° |
| C13 | C14 | C15 | H12 | 120.4° | 119.9° |
| C13 | C14 | C15 | O16 | 119.5° | 180.0° |
| C13 | C14 | C15 | H5 | 120.6° | 60.0° |
| C13 | C14 | C15 | H6 | 0.3° | 60.0° |
| C13 | C14 | H11 | H12 | 118.7° | 119.9° |
| C14 | C13 | C12 | H18 | 123.5° | 60.1° |
| C14 | C13 | C12 | H19 | 4.2° | 60.0° |
| C14 | C13 | H20 | H21 | 118.6° | 119.9° |
| C18 | C17 | O16 | H22 | 120.0° | 120.0° |
| C18 | C17 | O16 | H23 | 120.0° | 120.0° |
| C18 | C17 | O16 | C15 | 138.7° | 180.0° |
| C17 | C18 | H7 | H8 | 119.1° | 120.0° |
| C17 | C18 | C19 | H9 | 17.1° | 60.0° |
| C17 | C18 | C19 | H10 | 102.0° | 60.0° |
| C18 | C17 | H22 | H23 | 120.0° | 120.0° |
| C17 | O16 | C15 | C14 | 176.7° | 180.0° |
| C17 | O16 | C15 | H5 | 63.4° | 60.0° |
| C17 | O16 | C15 | H6 | 56.9° | 60.0° |
| O16 | C17 | C18 | H7 | 71.1° | 60.0° |
| O16 | C17 | C18 | H8 | 48.3° | 60.0° |
| O16 | C17 | H22 | H23 | 120.1° | 120.0° |
| C14 | C15 | O16 | H5 | 119.9° | 120.0° |
| C14 | C15 | O16 | H6 | 119.9° | 120.0° |
| C14 | C15 | H5 | H6 | 120.5° | 120.0° |
| C15 | C14 | H11 | H12 | 118.8° | 120.0° |
| C15 | C14 | C13 | H20 | 72.4° | 59.9° |
| C15 | C14 | C13 | H21 | 168.5° | 60.1° |
| O16 | C15 | H5 | H6 | 120.4° | 119.9° |
| O16 | C15 | C14 | H11 | 0.9° | 60.0° |
| O16 | C15 | C14 | H12 | 120.1° | 60.0° |
| C15 | O16 | C17 | H22 | 18.7° | 60.0° |
| C15 | O16 | C17 | H23 | 101.3° | 60.0° |
| H1 | C10 | C11 | H3 | 113.5° | 60.0° |
| H1 | C10 | C11 | H4 | 127.3° | 179.9° |
| H1 | C10 | N09 | H32 | 92.6° | 63.9° |
| H2 | C10 | C11 | H3 | 6.3° | 179.9° |
| H2 | C10 | C11 | H4 | 112.8° | 59.9° |
| H2 | C10 | N09 | H32 | 147.5° | 176.1° |
| H3 | C11 | C12 | H18 | 156.6° | 180.0° |
| H3 | C11 | C12 | H19 | 37.4° | 60.0° |
| H4 | C11 | C12 | H18 | 84.3° | 59.9° |
| H4 | C11 | C12 | H19 | 156.5° | 180.0° |
| H5 | C15 | C14 | H11 | 119.0° | 60.0° |
| H5 | C15 | C14 | H12 | 0.2° | 180.0° |
| H6 | C15 | C14 | H11 | 120.7° | NaN° |
| H6 | C15 | C14 | H12 | 120.1° | 60.0° |
| H7 | C18 | C19 | H9 | 137.4° | 60.0° |
| H7 | C18 | C19 | H10 | 18.3° | 180.0° |
| H7 | C18 | C17 | H22 | 168.9° | 180.0° |
| H7 | C18 | C17 | H23 | 48.9° | 60.0° |
| H8 | C18 | C19 | H9 | 103.2° | 180.0° |
| H8 | C18 | C19 | H10 | 137.8° | 60.0° |
| H8 | C18 | C17 | H22 | 71.7° | 60.0° |
| H8 | C18 | C17 | H23 | 168.3° | 180.0° |
| H9 | C19 | C20 | H24 | 113.4° | 180.0° |
| H9 | C19 | C20 | H25 | 5.9° | 60.0° |
| H10 | C19 | C20 | H24 | 127.6° | 60.0° |
| H10 | C19 | C20 | H25 | 113.1° | 180.0° |
| H11 | C14 | C13 | H20 | 48.0° | 180.0° |
| H11 | C14 | C13 | H21 | 71.1° | 60.0° |
| H12 | C14 | C13 | H20 | 167.2° | 60.0° |
| H12 | C14 | C13 | H21 | 48.1° | 180.0° |
| H13 | C03 | C04 | H14 | 0.0° | 0.0° |
| H15 | C06 | C08 | H16 | 132.4° | 180.0° |
| H15 | C06 | C08 | H17 | 12.5° | 60.1° |
| H15 | C06 | O07 | H35 | 60.3° | 179.9° |
| H16 | C08 | N09 | H32 | 159.8° | 176.0° |
| H17 | C08 | N09 | H32 | 39.9° | 63.9° |
| H18 | C12 | C13 | H20 | 116.1° | 60.0° |
| H18 | C12 | C13 | H21 | 3.0° | 180.0° |
| H19 | C12 | C13 | H20 | 124.7° | 180.0° |
| H19 | C12 | C13 | H21 | 116.2° | 60.0° |
| H26 | C22 | C23 | H27 | 0.0° | 0.0° |
| H27 | C23 | C24 | H28 | 0.0° | 0.1° |
| H28 | C24 | C25 | H29 | 0.0° | 0.1° |
| H29 | C25 | C26 | H30 | 0.0° | 0.3° |
