A1AWC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.36Å | 1.36Å | Aromatic |
| C24 | C23 | sing | 1.36Å | 1.36Å | Aromatic |
| C26 | C27 | doub | 1.40Å | 1.42Å | Aromatic |
| C23 | C22 | doub | 1.41Å | 1.41Å | Aromatic |
| C27 | C22 | sing | 1.42Å | 1.41Å | Aromatic |
| C27 | C28 | sing | 1.41Å | 1.41Å | Aromatic |
| C22 | N4 | sing | 1.33Å | 1.37Å | Aromatic |
| C28 | C29 | doub | 1.37Å | 1.38Å | Aromatic |
| N4 | C21 | doub | 1.32Å | 1.33Å | Aromatic |
| C29 | C21 | sing | 1.39Å | 1.42Å | Aromatic |
| C29 | C30 | sing | 1.51Å | 1.52Å | |
| C21 | C20 | sing | 1.50Å | 1.51Å | |
| C30 | C10 | sing | 1.53Å | 1.53Å | |
| O2 | C18 | sing | 1.36Å | 1.37Å | |
| C18 | C17 | doub | 1.43Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | O3 | sing | 1.45Å | 1.46Å | |
| C20 | C11 | sing | 1.52Å | 1.54Å | |
| O3 | C19 | sing | 1.35Å | 1.38Å | |
| C19 | C14 | doub | 1.39Å | 1.37Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | O1 | sing | 1.43Å | 1.43Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C8 | sing | 1.54Å | 1.55Å | |
| C14 | C15 | sing | 1.39Å | 1.37Å | Aromatic |
| C14 | C11 | sing | 1.51Å | 1.49Å | |
| C15 | C9 | sing | 1.49Å | 1.51Å | |
| C11 | C12 | sing | 1.52Å | 1.54Å | |
| C9 | C8 | sing | 1.52Å | 1.57Å | |
| C8 | N3 | sing | 1.47Å | 1.48Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| N3 | C13 | sing | 1.47Å | 1.47Å | |
| N3 | C7 | sing | 1.47Å | 1.47Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.50Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | N2 | sing | 1.46Å | 1.46Å | |
| N2 | C1 | sing | 1.37Å | 1.33Å | |
| C1 | N1 | doub | 1.30Å | 1.32Å | |
| C1 | N5 | sing | 1.37Å | 1.32Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C6 | H16 | sing | 1.09Å | 1.10Å | |
| C6 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | H18 | sing | 1.09Å | 1.10Å | |
| C7 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C8 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| N2 | H24 | sing | 0.97Å | 1.00Å | |
| N5 | H26 | sing | 0.97Å | 1.00Å | |
| N5 | H27 | sing | 0.97Å | 1.00Å | |
| O1 | H28 | sing | 0.97Å | 0.95Å | |
| O2 | H29 | sing | 0.97Å | 0.95Å | |
| C23 | H30 | sing | 1.08Å | 1.08Å | |
| C24 | H31 | sing | 1.08Å | 1.08Å | |
| C25 | H32 | sing | 1.08Å | 1.08Å | |
| C26 | H33 | sing | 1.08Å | 1.08Å | |
| C28 | H34 | sing | 1.08Å | 1.08Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C25 | C26 | 120.7° | 120.9° |
| C25 | C24 | C23 | 120.6° | 121.1° |
| C25 | C24 | H31 | 119.7° | 119.5° |
| C24 | C25 | H32 | 119.6° | 119.6° |
| C25 | C26 | C27 | 119.9° | 119.6° |
| C26 | C25 | H32 | 119.6° | 119.5° |
| C25 | C26 | H33 | 120.1° | 120.2° |
| C24 | C23 | C22 | 120.4° | 119.8° |
| C24 | C23 | H30 | 119.8° | 120.1° |
| C23 | C24 | H31 | 119.7° | 119.5° |
| C26 | C27 | C22 | 119.5° | 119.7° |
| C26 | C27 | C28 | 122.5° | 121.7° |
| C27 | C26 | H33 | 120.1° | 120.2° |
| C23 | C22 | C27 | 118.9° | 119.0° |
| C23 | C22 | N4 | 119.7° | 121.3° |
| C22 | C23 | H30 | 119.8° | 120.1° |
| C22 | C27 | C28 | 118.0° | 118.6° |
| C27 | C22 | N4 | 121.4° | 119.7° |
| C27 | C28 | C29 | 120.4° | 118.6° |
| C27 | C28 | H34 | 119.8° | 120.7° |
| C22 | N4 | C21 | 119.9° | 122.3° |
| C28 | C29 | C21 | 118.3° | 120.3° |
| C28 | C29 | C30 | 119.4° | 117.9° |
| C29 | C28 | H34 | 119.8° | 120.7° |
| N4 | C21 | C29 | 122.1° | 120.5° |
| N4 | C21 | C20 | 115.0° | 117.0° |
| C21 | C29 | C30 | 122.3° | 121.8° |
| C29 | C21 | C20 | 122.9° | 122.5° |
| C29 | C30 | C10 | 114.6° | 109.6° |
| C29 | C30 | H35 | 108.2° | 109.4° |
| C29 | C30 | H36 | 108.2° | 109.4° |
| C21 | C20 | O3 | 110.9° | 108.7° |
| C21 | C20 | C11 | 113.5° | 113.4° |
| C21 | C20 | H20 | 109.4° | 110.2° |
| C30 | C10 | O1 | 105.9° | 111.4° |
| C30 | C10 | C11 | 111.7° | 108.3° |
| C30 | C10 | C8 | 114.3° | 108.6° |
| C10 | C30 | H35 | 108.2° | 109.5° |
| C10 | C30 | H36 | 108.2° | 109.5° |
| O2 | C18 | C17 | 122.8° | 121.5° |
| O2 | C18 | C19 | 120.3° | 122.0° |
| C18 | O2 | H29 | 109.5° | 114.0° |
| C17 | C18 | C19 | 116.9° | 116.5° |
| C18 | C17 | C16 | 121.2° | 123.1° |
| C18 | C17 | H6 | 119.4° | 118.4° |
| C18 | C19 | O3 | 128.1° | 131.7° |
| C18 | C19 | C14 | 121.0° | 117.9° |
| C17 | C16 | C15 | 120.9° | 120.3° |
| C17 | C16 | H5 | 119.6° | 119.9° |
| C16 | C17 | H6 | 119.4° | 118.4° |
| O3 | C20 | C11 | 103.9° | 103.0° |
| C20 | O3 | C19 | 104.8° | 109.3° |
| O3 | C20 | H20 | 110.1° | 110.4° |
| C20 | C11 | C10 | 118.6° | 116.9° |
| C20 | C11 | C14 | 98.5° | 101.4° |
| C20 | C11 | C12 | 108.7° | 111.8° |
| C11 | C20 | H20 | 108.9° | 110.9° |
| O3 | C19 | C14 | 110.9° | 110.4° |
| C19 | C14 | C15 | 123.5° | 126.1° |
| C19 | C14 | C11 | 109.6° | 107.8° |
| C16 | C15 | C14 | 116.5° | 115.8° |
| C16 | C15 | C9 | 126.2° | 124.4° |
| C15 | C16 | H5 | 119.5° | 119.9° |
| O1 | C10 | C11 | 109.6° | 110.6° |
| O1 | C10 | C8 | 110.4° | 110.6° |
| C10 | O1 | H28 | 109.5° | 114.0° |
| C11 | C10 | C8 | 105.0° | 107.2° |
| C10 | C11 | C14 | 108.4° | 105.3° |
| C10 | C11 | C12 | 109.2° | 110.5° |
| C10 | C8 | C9 | 114.1° | 114.0° |
| C10 | C8 | N3 | 106.3° | 109.5° |
| C10 | C8 | H21 | 106.7° | 107.8° |
| C15 | C14 | C11 | 126.9° | 125.8° |
| C14 | C15 | C9 | 117.3° | 119.8° |
| C14 | C11 | C12 | 113.1° | 110.4° |
| C15 | C9 | C8 | 115.2° | 113.6° |
| C15 | C9 | H22 | 108.0° | 108.6° |
| C15 | C9 | H23 | 108.0° | 108.7° |
| C11 | C12 | C13 | 112.6° | 109.0° |
| C11 | C12 | H1 | 108.7° | 109.8° |
| C11 | C12 | H2 | 108.7° | 109.5° |
| C9 | C8 | N3 | 115.2° | 110.3° |
| C9 | C8 | H21 | 106.5° | 107.2° |
| C8 | C9 | H22 | 108.0° | 108.4° |
| C8 | C9 | H23 | 108.0° | 109.0° |
| C8 | N3 | C13 | 113.0° | 111.6° |
| C8 | N3 | C7 | 113.4° | 110.9° |
| N3 | C8 | H21 | 107.6° | 107.8° |
| C12 | C13 | N3 | 111.4° | 109.4° |
| C13 | C12 | H1 | 108.7° | 109.5° |
| C13 | C12 | H2 | 108.7° | 109.4° |
| C12 | C13 | H3 | 109.0° | 109.4° |
| C12 | C13 | H4 | 109.0° | 109.5° |
| C13 | N3 | C7 | 111.4° | 111.0° |
| N3 | C13 | H3 | 109.0° | 109.5° |
| N3 | C13 | H4 | 109.0° | 109.4° |
| N3 | C7 | C6 | 112.6° | 109.5° |
| N3 | C7 | H18 | 108.7° | 109.5° |
| N3 | C7 | H19 | 108.7° | 109.5° |
| C7 | C6 | C5 | 112.6° | 109.5° |
| C7 | C6 | H16 | 108.6° | 109.5° |
| C7 | C6 | H17 | 108.7° | 109.5° |
| C6 | C7 | H18 | 108.7° | 109.5° |
| C6 | C7 | H19 | 108.7° | 109.5° |
| C6 | C5 | C4 | 113.5° | 109.5° |
| C6 | C5 | H14 | 108.5° | 109.5° |
| C6 | C5 | H15 | 108.4° | 109.5° |
| C5 | C6 | H16 | 108.7° | 109.4° |
| C5 | C6 | H17 | 108.7° | 109.5° |
| C5 | C4 | C3 | 113.1° | 109.5° |
| C5 | C4 | H12 | 108.6° | 109.4° |
| C5 | C4 | H13 | 108.5° | 109.5° |
| C4 | C5 | H14 | 108.4° | 109.5° |
| C4 | C5 | H15 | 108.4° | 109.5° |
| C4 | C3 | C2 | 113.6° | 109.5° |
| C4 | C3 | H10 | 108.4° | 109.5° |
| C4 | C3 | H11 | 108.4° | 109.4° |
| C3 | C4 | H12 | 108.6° | 109.5° |
| C3 | C4 | H13 | 108.6° | 109.5° |
| C3 | C2 | N2 | 113.4° | 109.5° |
| C3 | C2 | H8 | 108.5° | 109.5° |
| C3 | C2 | H9 | 108.5° | 109.5° |
| C2 | C3 | H10 | 108.4° | 109.5° |
| C2 | C3 | H11 | 108.5° | 109.5° |
| C2 | N2 | C1 | 124.3° | 120.0° |
| N2 | C2 | H8 | 108.5° | 109.5° |
| N2 | C2 | H9 | 108.5° | 109.5° |
| C2 | N2 | H24 | 117.9° | 120.0° |
| N2 | C1 | N1 | 120.1° | 120.0° |
| N2 | C1 | N5 | 120.1° | 120.0° |
| C1 | N2 | H24 | 117.8° | 120.0° |
| N1 | C1 | N5 | 119.8° | 120.0° |
| C1 | N1 | H7 | 112.0° | 120.0° |
| C1 | N5 | H26 | 120.0° | 120.0° |
| C1 | N5 | H27 | 120.0° | 120.0° |
| H1 | C12 | H2 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.4° | 109.5° |
| H8 | C2 | H9 | 109.5° | 109.4° |
| H10 | C3 | H11 | 109.5° | 109.5° |
| H12 | C4 | H13 | 109.5° | 109.5° |
| H14 | C5 | H15 | 109.5° | 109.4° |
| H16 | C6 | H17 | 109.5° | 109.4° |
| H18 | C7 | H19 | 109.5° | 109.5° |
| H22 | C9 | H23 | 109.5° | 108.5° |
| H26 | N5 | H27 | 120.0° | 120.0° |
| H35 | C30 | H36 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C25 | C26 | H32 | 180.0° | 179.9° |
| C25 | C24 | C23 | H31 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.1° | 0.1° |
| C25 | C24 | C23 | C22 | 0.1° | 0.1° |
| C25 | C24 | C23 | H30 | 179.9° | 179.9° |
| C24 | C25 | C26 | H33 | 179.9° | 179.9° |
| C26 | C25 | C24 | C23 | 0.0° | 0.0° |
| C25 | C26 | C27 | H33 | 180.0° | 180.0° |
| C25 | C26 | C27 | C22 | 0.1° | 0.2° |
| C25 | C26 | C27 | C28 | 180.0° | 179.8° |
| C26 | C25 | C24 | H31 | 180.0° | 180.0° |
| C24 | C23 | C22 | H30 | 180.0° | 180.0° |
| C24 | C23 | C22 | C27 | 0.1° | 0.0° |
| C24 | C23 | C22 | N4 | 179.9° | 180.0° |
| C23 | C24 | C25 | H32 | 180.0° | 179.9° |
| C26 | C27 | C22 | C23 | 0.0° | 0.2° |
| C26 | C27 | C22 | C28 | 179.9° | 180.0° |
| C26 | C27 | C22 | N4 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 179.9° | 179.8° |
| C27 | C26 | C25 | H32 | 179.9° | 180.0° |
| C26 | C27 | C28 | H34 | 0.1° | 0.2° |
| C23 | C22 | C27 | N4 | 180.0° | 180.0° |
| C23 | C22 | C27 | C28 | 179.9° | 179.8° |
| C23 | C22 | N4 | C21 | 179.7° | 179.8° |
| C22 | C23 | C24 | H31 | 179.9° | 180.0° |
| C22 | C27 | C28 | C29 | 0.2° | 0.2° |
| C27 | C22 | N4 | C21 | 0.3° | 0.1° |
| C27 | C22 | C23 | H30 | 179.9° | 180.0° |
| C22 | C27 | C26 | H33 | 179.9° | 179.8° |
| C22 | C27 | C28 | H34 | 179.8° | 179.9° |
| C28 | C27 | C22 | N4 | 0.1° | 0.2° |
| C27 | C28 | C29 | H34 | 180.0° | 179.7° |
| C27 | C28 | C29 | C21 | 0.5° | 0.2° |
| C27 | C28 | C29 | C30 | 179.9° | 179.3° |
| C28 | C27 | C26 | H33 | 0.0° | 0.2° |
| C22 | N4 | C21 | C29 | 0.6° | 0.2° |
| C22 | N4 | C21 | C20 | 179.7° | 179.9° |
| N4 | C22 | C23 | H30 | 0.1° | 0.0° |
| C28 | C29 | C21 | N4 | 0.7° | 0.2° |
| C28 | C29 | C21 | C30 | 179.4° | 179.0° |
| C28 | C29 | C21 | C20 | 179.7° | 179.9° |
| C28 | C29 | C30 | C10 | 160.2° | 147.9° |
| C28 | C29 | C30 | H35 | 39.5° | 92.1° |
| C28 | C29 | C30 | H36 | 79.0° | 27.8° |
| N4 | C21 | C29 | C20 | 179.0° | 179.7° |
| N4 | C21 | C29 | C30 | 179.9° | 179.3° |
| N4 | C21 | C20 | O3 | 60.4° | 71.1° |
| N4 | C21 | C20 | C11 | 176.8° | 175.0° |
| N4 | C21 | C20 | H20 | 61.3° | 50.0° |
| C21 | C29 | C30 | C10 | 20.4° | 33.1° |
| C29 | C21 | C20 | O3 | 120.6° | 109.2° |
| C29 | C21 | C20 | C11 | 4.1° | 4.8° |
| C29 | C21 | C20 | H20 | 117.8° | 129.7° |
| C21 | C29 | C28 | H34 | 179.5° | 179.9° |
| C21 | C29 | C30 | H35 | 141.1° | 87.0° |
| C21 | C29 | C30 | H36 | 100.4° | 153.1° |
| C30 | C29 | C21 | C20 | 0.9° | 1.0° |
| C29 | C30 | C10 | H35 | 120.8° | 120.0° |
| C29 | C30 | C10 | H36 | 120.8° | 120.0° |
| C29 | C30 | C10 | O1 | 77.9° | 65.0° |
| C29 | C30 | C10 | C11 | 41.3° | 56.8° |
| C29 | C30 | C10 | C8 | 160.3° | 172.9° |
| C30 | C29 | C28 | H34 | 0.1° | 1.0° |
| C29 | C30 | H35 | H36 | 117.7° | 119.9° |
| C21 | C20 | O3 | C11 | 122.3° | 120.6° |
| C21 | C20 | O3 | H20 | 121.2° | 121.0° |
| C21 | C20 | C11 | H20 | 122.2° | 124.6° |
| C21 | C20 | O3 | C19 | 88.0° | 93.6° |
| C21 | C20 | C11 | C10 | 28.0° | 23.2° |
| C21 | C20 | C11 | C14 | 88.4° | 90.6° |
| C21 | C20 | C11 | C12 | 153.5° | 151.9° |
| C30 | C10 | C11 | C20 | 47.0° | 54.6° |
| C30 | C10 | O1 | C11 | 120.7° | 120.5° |
| C30 | C10 | O1 | C8 | 124.2° | 120.9° |
| C30 | C10 | C11 | C8 | 124.4° | 117.0° |
| C30 | C10 | C11 | C14 | 64.1° | 57.0° |
| C30 | C10 | C11 | C12 | 172.2° | 176.1° |
| C30 | C10 | C8 | C9 | 63.2° | 53.1° |
| C30 | C10 | C8 | N3 | 168.8° | 177.2° |
| C30 | C10 | C8 | H21 | 54.2° | 65.8° |
| C30 | C10 | O1 | H28 | 180.0° | 59.6° |
| C10 | C30 | H35 | H36 | 117.6° | 120.0° |
| O2 | C18 | C17 | C19 | 179.0° | 179.4° |
| O2 | C18 | C17 | C16 | 179.8° | 178.4° |
| O2 | C18 | C19 | O3 | 0.8° | 4.8° |
| O2 | C18 | C19 | C14 | 179.2° | 178.1° |
| O2 | C18 | C17 | H6 | 0.2° | 1.1° |
| C18 | C17 | C16 | H6 | 180.0° | 179.4° |
| C17 | C18 | C19 | O3 | 179.8° | 175.9° |
| C17 | C18 | C19 | C14 | 1.8° | 1.2° |
| C18 | C17 | C16 | C15 | 0.3° | 1.2° |
| C18 | C17 | C16 | H5 | 179.7° | 178.7° |
| C17 | C18 | O2 | H29 | 180.0° | 90.0° |
| C19 | C18 | C17 | C16 | 0.8° | 2.2° |
| C18 | C19 | O3 | C20 | 159.1° | 161.8° |
| C18 | C19 | O3 | C14 | 178.5° | 177.3° |
| C18 | C19 | C14 | C15 | 1.6° | 6.3° |
| C18 | C19 | C14 | C11 | 179.2° | 179.1° |
| C19 | C18 | C17 | H6 | 179.1° | 178.3° |
| C19 | C18 | O2 | H29 | 1.1° | 90.6° |
| C17 | C16 | C15 | H5 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.5° | 3.2° |
| C17 | C16 | C15 | C9 | 178.3° | 175.2° |
| O3 | C20 | C11 | H20 | 117.3° | 118.1° |
| C20 | O3 | C19 | C14 | 22.4° | 15.4° |
| O3 | C20 | C11 | C10 | 148.5° | 140.5° |
| O3 | C20 | C11 | C14 | 32.1° | 26.7° |
| O3 | C20 | C11 | C12 | 86.0° | 90.8° |
| C11 | C20 | O3 | C19 | 34.3° | 27.0° |
| C20 | C11 | C14 | C19 | 19.9° | 19.1° |
| C20 | C11 | C10 | O1 | 70.1° | 67.8° |
| C20 | C11 | C10 | C14 | 111.1° | 111.5° |
| C20 | C11 | C10 | C12 | 125.2° | 129.3° |
| C20 | C11 | C10 | C8 | 171.3° | 171.6° |
| C20 | C11 | C14 | C15 | 159.3° | 155.6° |
| C20 | C11 | C14 | C12 | 114.6° | 118.5° |
| C20 | C11 | C12 | C13 | 175.4° | 169.9° |
| C20 | C11 | C12 | H1 | 55.0° | 70.1° |
| C20 | C11 | C12 | H2 | 64.1° | 50.2° |
| O3 | C19 | C14 | C15 | 179.7° | 171.4° |
| O3 | C19 | C14 | C11 | 0.5° | 3.2° |
| C19 | O3 | C20 | H20 | 150.8° | 145.4° |
| C19 | C14 | C15 | C16 | 0.4° | 7.2° |
| C19 | C14 | C11 | C10 | 143.9° | 141.3° |
| C19 | C14 | C15 | C11 | 179.1° | 173.7° |
| C19 | C14 | C15 | C9 | 177.6° | 171.3° |
| C19 | C14 | C11 | C12 | 94.8° | 99.5° |
| C16 | C15 | C14 | C9 | 178.0° | 178.5° |
| C16 | C15 | C14 | C11 | 179.5° | 179.1° |
| C16 | C15 | C9 | C8 | 175.2° | 178.7° |
| C15 | C16 | C17 | H6 | 179.7° | 179.4° |
| C16 | C15 | C9 | H22 | 54.4° | 58.1° |
| C16 | C15 | C9 | H23 | 64.0° | 59.8° |
| O1 | C10 | C11 | C8 | 118.5° | 120.6° |
| O1 | C10 | C11 | C14 | 178.8° | 179.3° |
| O1 | C10 | C11 | C12 | 55.1° | 61.5° |
| O1 | C10 | C8 | C9 | 177.6° | 175.7° |
| O1 | C10 | C8 | N3 | 49.5° | 60.2° |
| O1 | C10 | C8 | H21 | 65.1° | 56.8° |
| O1 | C10 | C30 | H35 | 42.8° | 174.9° |
| O1 | C10 | C30 | H36 | 161.3° | 55.0° |
| C10 | C11 | C14 | C15 | 35.3° | 33.4° |
| C10 | C11 | C14 | C12 | 121.3° | 119.2° |
| C11 | C10 | C8 | C9 | 59.6° | 63.7° |
| C11 | C10 | C8 | N3 | 68.5° | 60.4° |
| C10 | C11 | C12 | C13 | 53.8° | 58.1° |
| C10 | C11 | C12 | H1 | 174.3° | 61.9° |
| C10 | C11 | C12 | H2 | 66.7° | 177.8° |
| C10 | C11 | C20 | H20 | 94.2° | 101.4° |
| C11 | C10 | C8 | H21 | 176.9° | 177.4° |
| C11 | C10 | O1 | H28 | 59.4° | 179.9° |
| C11 | C10 | C30 | H35 | 162.1° | 63.2° |
| C11 | C10 | C30 | H36 | 79.4° | 176.8° |
| C8 | C10 | C11 | C14 | 60.3° | 60.1° |
| C10 | C8 | C9 | C15 | 28.0° | 31.4° |
| C8 | C10 | C11 | C12 | 63.4° | 59.1° |
| C10 | C8 | C9 | N3 | 123.4° | 123.6° |
| C10 | C8 | C9 | H21 | 117.5° | 119.2° |
| C10 | C8 | N3 | H21 | 114.0° | 117.0° |
| C10 | C8 | N3 | C13 | 65.3° | 63.1° |
| C10 | C8 | N3 | C7 | 166.6° | 172.6° |
| C10 | C8 | C9 | H22 | 92.8° | 89.4° |
| C10 | C8 | C9 | H23 | 148.8° | 152.7° |
| C8 | C10 | O1 | H28 | 55.8° | 61.4° |
| C8 | C10 | C30 | H35 | 78.9° | 52.9° |
| C8 | C10 | C30 | H36 | 39.6° | 67.1° |
| C15 | C14 | C11 | C12 | 86.0° | 85.9° |
| C14 | C15 | C9 | C8 | 2.6° | 0.3° |
| C14 | C15 | C16 | H5 | 179.5° | 176.8° |
| C14 | C15 | C9 | H22 | 123.4° | 120.3° |
| C14 | C15 | C9 | H23 | 118.3° | 121.8° |
| C11 | C14 | C15 | C9 | 1.5° | 2.4° |
| C14 | C11 | C12 | C13 | 67.1° | 57.9° |
| C14 | C11 | C12 | H1 | 53.4° | 177.9° |
| C14 | C11 | C12 | H2 | 172.5° | 61.8° |
| C14 | C11 | C20 | H20 | 149.4° | 144.8° |
| C15 | C9 | C8 | H22 | 120.8° | 120.8° |
| C15 | C9 | C8 | H23 | 120.9° | 121.3° |
| C15 | C9 | C8 | N3 | 95.4° | 92.3° |
| C9 | C15 | C16 | H5 | 1.7° | 4.7° |
| C15 | C9 | C8 | H21 | 145.4° | 150.6° |
| C15 | C9 | H22 | H23 | 117.4° | 118.0° |
| C11 | C12 | C13 | H1 | 120.4° | 120.2° |
| C11 | C12 | C13 | H2 | 120.5° | 119.7° |
| C11 | C12 | C13 | N3 | 47.1° | 57.4° |
| C11 | C12 | H1 | H2 | 118.6° | 120.3° |
| C11 | C12 | C13 | H3 | 73.2° | 62.6° |
| C11 | C12 | C13 | H4 | 167.4° | 177.3° |
| C12 | C11 | C20 | H20 | 31.3° | 27.3° |
| C9 | C8 | N3 | H21 | 118.6° | 116.7° |
| C9 | C8 | N3 | C13 | 62.1° | 63.2° |
| C9 | C8 | N3 | C7 | 65.9° | 61.2° |
| C8 | C9 | H22 | H23 | 117.4° | 118.2° |
| C8 | N3 | C13 | C12 | 54.0° | 60.9° |
| C8 | N3 | C13 | C7 | 129.1° | 124.3° |
| C8 | N3 | C7 | C6 | 58.8° | 170.0° |
| C8 | N3 | C13 | H3 | 66.3° | 59.0° |
| C8 | N3 | C13 | H4 | 174.3° | 179.1° |
| C8 | N3 | C7 | H18 | 61.6° | 70.0° |
| C8 | N3 | C7 | H19 | 179.3° | 50.0° |
| N3 | C8 | C9 | H22 | 143.8° | 146.9° |
| N3 | C8 | C9 | H23 | 25.5° | 29.1° |
| C12 | C13 | N3 | H3 | 120.3° | 119.9° |
| C12 | C13 | N3 | H4 | 120.3° | 120.0° |
| C12 | C13 | N3 | C7 | 176.9° | 174.8° |
| C13 | C12 | H1 | H2 | 118.6° | 120.0° |
| C12 | C13 | H3 | H4 | 119.1° | 120.1° |
| C13 | N3 | C7 | C6 | 172.3° | 65.3° |
| N3 | C13 | C12 | H1 | 167.5° | 62.8° |
| N3 | C13 | C12 | H2 | 73.4° | 177.1° |
| N3 | C13 | H3 | H4 | 119.1° | 120.0° |
| C13 | N3 | C7 | H18 | 67.2° | 54.7° |
| C13 | N3 | C7 | H19 | 51.9° | 174.7° |
| C13 | N3 | C8 | H21 | 179.3° | 179.9° |
| N3 | C7 | C6 | H18 | 120.5° | 120.0° |
| N3 | C7 | C6 | H19 | 120.4° | 120.0° |
| N3 | C7 | C6 | C5 | 173.4° | 180.0° |
| C7 | N3 | C13 | H3 | 62.8° | 65.3° |
| C7 | N3 | C13 | H4 | 56.6° | 54.7° |
| N3 | C7 | C6 | H16 | 66.2° | 60.0° |
| N3 | C7 | C6 | H17 | 52.9° | 60.0° |
| N3 | C7 | H18 | H19 | 118.6° | 120.0° |
| C7 | N3 | C8 | H21 | 52.7° | 55.6° |
| C7 | C6 | C5 | H16 | 120.4° | 120.0° |
| C7 | C6 | C5 | H17 | 120.4° | 120.1° |
| C7 | C6 | C5 | C4 | 60.9° | 180.0° |
| C7 | C6 | C5 | H14 | 178.5° | 60.0° |
| C7 | C6 | C5 | H15 | 59.7° | 60.0° |
| C7 | C6 | H16 | H17 | 118.5° | 120.1° |
| C6 | C7 | H18 | H19 | 118.6° | 120.0° |
| C6 | C5 | C4 | H14 | 120.6° | 120.0° |
| C6 | C5 | C4 | H15 | 120.6° | 120.0° |
| C6 | C5 | C4 | C3 | 178.1° | 180.0° |
| C6 | C5 | C4 | H12 | 57.6° | 60.0° |
| C6 | C5 | C4 | H13 | 61.3° | 60.0° |
| C6 | C5 | H14 | H15 | 118.2° | 120.0° |
| C5 | C6 | H16 | H17 | 118.6° | 119.9° |
| C5 | C6 | C7 | H18 | 52.9° | 60.0° |
| C5 | C6 | C7 | H19 | 66.2° | 60.0° |
| C5 | C4 | C3 | H12 | 120.5° | 120.0° |
| C5 | C4 | C3 | H13 | 120.5° | 120.0° |
| C5 | C4 | C3 | C2 | 177.1° | 180.0° |
| C5 | C4 | C3 | H10 | 56.5° | 60.0° |
| C5 | C4 | C3 | H11 | 62.3° | 60.0° |
| C5 | C4 | H12 | H13 | 118.3° | 120.0° |
| C4 | C5 | H14 | H15 | 118.1° | 120.0° |
| C4 | C5 | C6 | H16 | 59.6° | 60.0° |
| C4 | C5 | C6 | H17 | 178.7° | 59.9° |
| C4 | C3 | C2 | H10 | 120.6° | 120.0° |
| C4 | C3 | C2 | H11 | 120.6° | 120.0° |
| C4 | C3 | C2 | N2 | 60.5° | 180.0° |
| C4 | C3 | C2 | H8 | 60.1° | 60.0° |
| C4 | C3 | C2 | H9 | 178.9° | 60.0° |
| C4 | C3 | H10 | H11 | 118.1° | 119.9° |
| C3 | C4 | H12 | H13 | 118.4° | 120.0° |
| C3 | C4 | C5 | H14 | 61.3° | 60.0° |
| C3 | C4 | C5 | H15 | 57.5° | 60.0° |
| C3 | C2 | N2 | H8 | 120.6° | 120.0° |
| C3 | C2 | N2 | H9 | 120.6° | 120.0° |
| C3 | C2 | N2 | C1 | 111.9° | 180.0° |
| C3 | C2 | H8 | H9 | 118.2° | 120.0° |
| C2 | C3 | H10 | H11 | 118.2° | 120.1° |
| C2 | C3 | C4 | H12 | 62.4° | 60.0° |
| C2 | C3 | C4 | H13 | 56.6° | 60.0° |
| C3 | C2 | N2 | H24 | 68.2° | 0.0° |
| C2 | N2 | C1 | H24 | 180.0° | 180.0° |
| C2 | N2 | C1 | N1 | 10.6° | 0.0° |
| C2 | N2 | C1 | N5 | 168.6° | 180.0° |
| N2 | C2 | H8 | H9 | 118.2° | 120.0° |
| N2 | C2 | C3 | H10 | 178.9° | 60.0° |
| N2 | C2 | C3 | H11 | 60.1° | 60.0° |
| N2 | C1 | N1 | N5 | 179.2° | 179.9° |
| N2 | C1 | N1 | H7 | 179.1° | 180.0° |
| C1 | N2 | C2 | H8 | 127.5° | 60.0° |
| C1 | N2 | C2 | H9 | 8.7° | 60.0° |
| N2 | C1 | N5 | H26 | 179.1° | 179.9° |
| N2 | C1 | N5 | H27 | 0.8° | 0.0° |
| N1 | C1 | N2 | H24 | 169.4° | 179.9° |
| N1 | C1 | N5 | H26 | 0.0° | 0.0° |
| N1 | C1 | N5 | H27 | 180.0° | 179.9° |
| N5 | C1 | N1 | H7 | 0.0° | 0.1° |
| N5 | C1 | N2 | H24 | 11.4° | 0.0° |
| C1 | N5 | H26 | H27 | 180.0° | 179.9° |
| H1 | C12 | C13 | H3 | 47.2° | 177.2° |
| H1 | C12 | C13 | H4 | 72.2° | 57.1° |
| H2 | C12 | C13 | H3 | 166.3° | 57.1° |
| H2 | C12 | C13 | H4 | 46.9° | 63.0° |
| H5 | C16 | C17 | H6 | 0.3° | 0.7° |
| H8 | C2 | C3 | H10 | 60.5° | 60.0° |
| H8 | C2 | C3 | H11 | 179.3° | 179.9° |
| H8 | C2 | N2 | H24 | 52.5° | 120.0° |
| H9 | C2 | C3 | H10 | 58.3° | 180.0° |
| H9 | C2 | C3 | H11 | 60.5° | 60.0° |
| H9 | C2 | N2 | H24 | 171.3° | 120.0° |
| H10 | C3 | C4 | H12 | 177.0° | 179.9° |
| H10 | C3 | C4 | H13 | 64.0° | 60.0° |
| H11 | C3 | C4 | H12 | 58.2° | 60.0° |
| H11 | C3 | C4 | H13 | 177.2° | 180.0° |
| H12 | C4 | C5 | H14 | 178.2° | 180.0° |
| H12 | C4 | C5 | H15 | 63.0° | 60.0° |
| H13 | C4 | C5 | H14 | 59.3° | 60.0° |
| H13 | C4 | C5 | H15 | 178.1° | 180.0° |
| H14 | C5 | C6 | H16 | 61.0° | 180.0° |
| H14 | C5 | C6 | H17 | 58.1° | 60.1° |
| H15 | C5 | C6 | H16 | 179.8° | 60.1° |
| H15 | C5 | C6 | H17 | 60.7° | 179.9° |
| H16 | C6 | C7 | H18 | 173.4° | 180.0° |
| H16 | C6 | C7 | H19 | 54.3° | 60.0° |
| H17 | C6 | C7 | H18 | 67.5° | 60.1° |
| H17 | C6 | C7 | H19 | 173.3° | 180.0° |
| H21 | C8 | C9 | H22 | 24.6° | 29.8° |
| H21 | C8 | C9 | H23 | 93.7° | 88.1° |
| H30 | C23 | C24 | H31 | 0.1° | 0.0° |
| H31 | C24 | C25 | H32 | 0.0° | 0.1° |
| H32 | C25 | C26 | H33 | 0.1° | 0.0° |
