A1INK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C30 | sing | 1.53Å | 1.47Å | |
| C29 | C28 | sing | 1.53Å | 1.50Å | |
| C19 | C20 | sing | 1.53Å | 1.48Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C30 | C25 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.53Å | 1.50Å | |
| C28 | C27 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C18 | N4 | sing | 1.46Å | 1.47Å | |
| C18 | C17 | sing | 1.51Å | 1.53Å | |
| N4 | C22 | sing | 1.46Å | 1.48Å | |
| N4 | C23 | sing | 1.35Å | 1.35Å | |
| O6 | C23 | doub | 1.21Å | 1.24Å | |
| C23 | C24 | sing | 1.51Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C24 | C4 | sing | 1.51Å | 1.53Å | |
| O5 | C17 | doub | 1.21Å | 1.19Å | |
| C17 | O4 | sing | 1.34Å | 1.34Å | |
| O4 | C16 | sing | 1.45Å | 1.47Å | |
| C4 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C12 | C13 | doub | 1.35Å | 1.38Å | Aromatic |
| C12 | N1 | sing | 1.35Å | 1.35Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.51Å | 1.49Å | |
| C13 | N2 | sing | 1.34Å | 1.36Å | Aromatic |
| C6 | O3 | sing | 1.36Å | 1.38Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | O3 | sing | 1.43Å | 1.44Å | |
| C9 | C10 | sing | 1.53Å | 1.50Å | |
| C11 | N1 | sing | 1.47Å | 1.46Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C2 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.37Å | |
| N1 | N3 | sing | 1.29Å | 1.36Å | Aromatic |
| C1 | O1 | sing | 1.43Å | 1.40Å | |
| C7 | O2 | sing | 1.36Å | 1.40Å | |
| N2 | N3 | doub | 1.29Å | 1.32Å | Aromatic |
| O2 | C8 | sing | 1.43Å | 1.43Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.10Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H41 | sing | 1.09Å | 1.10Å | |
| C30 | H42 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C29 | C28 | 113.9° | 109.5° |
| C29 | C30 | C25 | 111.1° | 109.5° |
| C30 | C29 | H40 | 108.4° | 109.5° |
| C30 | C29 | H39 | 108.4° | 109.5° |
| C29 | C30 | H41 | 109.1° | 109.4° |
| C29 | C30 | H42 | 109.0° | 109.5° |
| C29 | C28 | C27 | 105.2° | 109.5° |
| C29 | C28 | H38 | 110.5° | 109.5° |
| C29 | C28 | H37 | 110.5° | 109.4° |
| C28 | C29 | H40 | 108.3° | 109.4° |
| C28 | C29 | H39 | 108.3° | 109.5° |
| C20 | C19 | C18 | 114.0° | 110.5° |
| C19 | C20 | C21 | 110.2° | 109.0° |
| C20 | C19 | H24 | 108.3° | 109.2° |
| C20 | C19 | H23 | 108.3° | 109.3° |
| C19 | C20 | H25 | 109.3° | 109.5° |
| C19 | C20 | H26 | 109.3° | 109.5° |
| C19 | C18 | N4 | 110.7° | 109.9° |
| C19 | C18 | C17 | 107.6° | 110.5° |
| C19 | C18 | H22 | 108.5° | 109.1° |
| C18 | C19 | H24 | 108.3° | 109.2° |
| C18 | C19 | H23 | 108.3° | 109.3° |
| C30 | C25 | C24 | 111.2° | 109.5° |
| C30 | C25 | C26 | 106.4° | 109.5° |
| C30 | C25 | H32 | 107.9° | 109.5° |
| C25 | C30 | H41 | 109.1° | 109.5° |
| C25 | C30 | H42 | 109.1° | 109.5° |
| C20 | C21 | C22 | 111.8° | 108.9° |
| C21 | C20 | H25 | 109.3° | 109.6° |
| C21 | C20 | H26 | 109.3° | 109.5° |
| C20 | C21 | H27 | 108.9° | 109.6° |
| C20 | C21 | H28 | 108.9° | 109.6° |
| C28 | C27 | C26 | 110.7° | 109.5° |
| C28 | C27 | H36 | 109.2° | 109.4° |
| C28 | C27 | H35 | 109.2° | 109.5° |
| C27 | C28 | H38 | 110.5° | 109.5° |
| C27 | C28 | H37 | 110.5° | 109.4° |
| C21 | C22 | N4 | 113.3° | 109.9° |
| C22 | C21 | H27 | 108.9° | 109.5° |
| C22 | C21 | H28 | 108.9° | 109.5° |
| C21 | C22 | H29 | 108.5° | 109.4° |
| C21 | C22 | H30 | 108.5° | 109.4° |
| N4 | C18 | C17 | 112.2° | 110.1° |
| C18 | N4 | C22 | 117.0° | 120.5° |
| C18 | N4 | C23 | 118.5° | 119.7° |
| N4 | C18 | H22 | 109.2° | 108.6° |
| C18 | C17 | O5 | 122.7° | 120.6° |
| C18 | C17 | O4 | 111.5° | 119.1° |
| C17 | C18 | H22 | 108.6° | 108.6° |
| C22 | N4 | C23 | 122.0° | 119.8° |
| N4 | C22 | H29 | 108.5° | 109.4° |
| N4 | C22 | H30 | 108.5° | 109.3° |
| N4 | C23 | O6 | 122.2° | 120.2° |
| N4 | C23 | C24 | 118.0° | 119.6° |
| O6 | C23 | C24 | 119.5° | 120.2° |
| C23 | C24 | C25 | 111.3° | 109.4° |
| C23 | C24 | C4 | 109.6° | 110.2° |
| C23 | C24 | H31 | 108.6° | 109.4° |
| C24 | C25 | C26 | 115.1° | 109.4° |
| C25 | C24 | C4 | 110.4° | 109.3° |
| C25 | C24 | H31 | 108.4° | 109.2° |
| C24 | C25 | H32 | 107.9° | 109.4° |
| C25 | C26 | C27 | 114.4° | 109.5° |
| C26 | C25 | H32 | 108.1° | 109.5° |
| C25 | C26 | H33 | 108.2° | 109.5° |
| C25 | C26 | H34 | 108.3° | 109.4° |
| C27 | C26 | H33 | 108.2° | 109.5° |
| C27 | C26 | H34 | 108.2° | 109.5° |
| C26 | C27 | H36 | 109.2° | 109.4° |
| C26 | C27 | H35 | 109.2° | 109.5° |
| C24 | C4 | C5 | 118.9° | 120.5° |
| C24 | C4 | C3 | 120.7° | 119.6° |
| C4 | C24 | H31 | 108.5° | 109.3° |
| O5 | C17 | O4 | 125.6° | 120.3° |
| C17 | O4 | C16 | 116.4° | 117.5° |
| O4 | C16 | C15 | 107.7° | 109.3° |
| O4 | C16 | H21 | 109.9° | 109.5° |
| O4 | C16 | H20 | 109.9° | 109.5° |
| C5 | C4 | C3 | 120.2° | 120.0° |
| C4 | C5 | C6 | 120.1° | 120.2° |
| C4 | C5 | H5 | 120.0° | 119.9° |
| C4 | C3 | C2 | 120.3° | 120.4° |
| C4 | C3 | H4 | 119.9° | 119.9° |
| C5 | C6 | O3 | 126.6° | 120.5° |
| C5 | C6 | C7 | 119.9° | 119.8° |
| C6 | C5 | H5 | 119.9° | 120.0° |
| C3 | C2 | C7 | 118.9° | 119.6° |
| C3 | C2 | O1 | 126.0° | 120.2° |
| C2 | C3 | H4 | 119.9° | 119.8° |
| C16 | C15 | C14 | 113.9° | 109.9° |
| C16 | C15 | H19 | 108.4° | 109.4° |
| C16 | C15 | H18 | 108.4° | 109.3° |
| C15 | C16 | H21 | 109.9° | 109.5° |
| C15 | C16 | H20 | 109.9° | 109.5° |
| C13 | C12 | N1 | 105.6° | 106.1° |
| C12 | C13 | C14 | 131.0° | 126.3° |
| C12 | C13 | N2 | 107.5° | 106.5° |
| C13 | C12 | H15 | 127.2° | 126.9° |
| C12 | N1 | C11 | 128.3° | 125.6° |
| C12 | N1 | N3 | 110.3° | 108.3° |
| N1 | C12 | H15 | 127.2° | 126.9° |
| C15 | C14 | C13 | 110.9° | 109.5° |
| C15 | C14 | H17 | 109.1° | 109.5° |
| C15 | C14 | H16 | 109.1° | 109.4° |
| C14 | C15 | H19 | 108.3° | 109.4° |
| C14 | C15 | H18 | 108.3° | 109.4° |
| C14 | C13 | N2 | 121.4° | 127.2° |
| C13 | C14 | H17 | 109.1° | 109.5° |
| C13 | C14 | H16 | 109.1° | 109.5° |
| C13 | N2 | N3 | 109.6° | 108.9° |
| O3 | C6 | C7 | 113.3° | 119.7° |
| C6 | O3 | C9 | 120.3° | 117.7° |
| C6 | C7 | C2 | 120.3° | 120.0° |
| C6 | C7 | O2 | 117.0° | 120.0° |
| O3 | C9 | C10 | 109.2° | 109.4° |
| O3 | C9 | H9 | 109.5° | 109.5° |
| O3 | C9 | H10 | 109.6° | 109.4° |
| C9 | C10 | C11 | 110.5° | 109.6° |
| C10 | C9 | H9 | 109.5° | 109.5° |
| C10 | C9 | H10 | 109.5° | 109.5° |
| C9 | C10 | H11 | 109.2° | 109.5° |
| C9 | C10 | H12 | 109.2° | 109.4° |
| N1 | C11 | C10 | 112.0° | 109.5° |
| C11 | N1 | N3 | 120.6° | 126.0° |
| N1 | C11 | H14 | 108.9° | 109.4° |
| N1 | C11 | H13 | 108.9° | 109.5° |
| C10 | C11 | H14 | 108.8° | 109.5° |
| C10 | C11 | H13 | 108.8° | 109.5° |
| C11 | C10 | H11 | 109.2° | 109.5° |
| C11 | C10 | H12 | 109.2° | 109.4° |
| C7 | C2 | O1 | 115.1° | 120.2° |
| C2 | C7 | O2 | 121.8° | 120.0° |
| C2 | O1 | C1 | 116.1° | 117.0° |
| N1 | N3 | N2 | 106.7° | 110.1° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.4° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| C7 | O2 | C8 | 111.2° | 117.0° |
| O2 | C8 | H7 | 109.5° | 109.5° |
| O2 | C8 | H8 | 109.5° | 109.5° |
| O2 | C8 | H6 | 109.5° | 109.5° |
| H17 | C14 | H16 | 109.4° | 109.5° |
| H14 | C11 | H13 | 109.5° | 109.4° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H7 | C8 | H6 | 109.5° | 109.4° |
| H8 | C8 | H6 | 109.4° | 109.5° |
| H9 | C9 | H10 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H19 | C15 | H18 | 109.5° | 109.4° |
| H21 | C16 | H20 | 109.5° | 109.5° |
| H24 | C19 | H23 | 109.5° | 109.2° |
| H25 | C20 | H26 | 109.5° | 109.6° |
| H27 | C21 | H28 | 109.5° | 109.7° |
| H29 | C22 | H30 | 109.5° | 109.4° |
| H33 | C26 | H34 | 109.5° | 109.5° |
| H36 | C27 | H35 | 109.5° | 109.5° |
| H38 | C28 | H37 | 109.5° | 109.4° |
| H40 | C29 | H39 | 109.5° | 109.5° |
| H41 | C30 | H42 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C29 | C28 | H40 | 120.7° | 120.0° |
| C30 | C29 | C28 | H39 | 120.7° | 120.1° |
| C29 | C30 | C25 | H41 | 120.3° | 120.0° |
| C29 | C30 | C25 | H42 | 120.2° | 120.0° |
| C30 | C29 | C28 | C27 | 62.1° | 59.9° |
| C29 | C30 | C25 | C24 | 179.8° | 180.0° |
| C29 | C30 | C25 | C26 | 53.8° | 60.0° |
| C29 | C30 | C25 | H32 | 62.0° | 60.1° |
| C30 | C29 | C28 | H38 | 57.2° | 180.0° |
| C30 | C29 | C28 | H37 | 178.6° | 60.0° |
| C30 | C29 | H40 | H39 | 118.0° | 120.1° |
| C29 | C30 | H41 | H42 | 119.2° | 120.0° |
| C28 | C29 | C30 | C25 | 62.5° | 59.9° |
| C29 | C28 | C27 | H38 | 119.3° | 120.1° |
| C29 | C28 | C27 | H37 | 119.3° | 120.0° |
| C29 | C28 | C27 | C26 | 57.4° | 59.9° |
| C29 | C28 | C27 | H36 | 177.5° | 60.0° |
| C29 | C28 | C27 | H35 | 62.8° | 180.0° |
| C29 | C28 | H38 | H37 | 122.0° | 119.9° |
| C28 | C29 | H40 | H39 | 118.0° | 119.9° |
| C28 | C29 | C30 | H41 | 177.2° | 60.1° |
| C28 | C29 | C30 | H42 | 57.7° | 180.0° |
| C20 | C19 | C18 | H24 | 120.6° | 120.2° |
| C20 | C19 | C18 | H23 | 120.7° | 120.3° |
| C19 | C20 | C21 | H25 | 120.1° | 119.9° |
| C19 | C20 | C21 | H26 | 120.1° | 119.9° |
| C19 | C20 | C21 | C22 | 55.7° | 62.2° |
| C20 | C19 | C18 | N4 | 49.7° | 50.9° |
| C20 | C19 | C18 | C17 | 73.1° | 70.8° |
| C20 | C19 | C18 | H22 | 169.6° | 169.9° |
| C20 | C19 | H24 | H23 | 117.9° | 119.5° |
| C19 | C20 | H25 | H26 | 119.7° | 120.2° |
| C19 | C20 | C21 | H27 | 176.1° | 178.0° |
| C19 | C20 | C21 | H28 | 64.6° | 57.6° |
| C18 | C19 | C20 | C21 | 56.5° | 61.1° |
| C19 | C18 | N4 | C17 | 120.2° | 121.9° |
| C19 | C18 | N4 | H22 | 119.4° | 119.3° |
| C19 | C18 | C17 | H22 | 117.2° | 119.6° |
| C19 | C18 | N4 | C22 | 43.8° | 47.2° |
| C19 | C18 | N4 | C23 | 153.9° | 133.2° |
| C19 | C18 | C17 | O5 | 59.8° | 44.1° |
| C19 | C18 | C17 | O4 | 114.5° | 135.8° |
| C18 | C19 | H24 | H23 | 117.9° | 119.5° |
| C18 | C19 | C20 | H25 | 63.6° | 58.7° |
| C18 | C19 | C20 | H26 | 176.6° | 179.0° |
| C30 | C25 | C24 | C23 | 67.2° | 59.0° |
| C30 | C25 | C24 | C26 | 121.0° | 120.0° |
| C30 | C25 | C24 | H32 | 118.1° | 120.0° |
| C30 | C25 | C26 | H32 | 115.7° | 120.1° |
| C30 | C25 | C26 | C27 | 53.3° | 60.0° |
| C30 | C25 | C24 | C4 | 170.9° | 61.8° |
| C30 | C25 | C24 | H31 | 52.2° | 178.6° |
| C30 | C25 | C26 | H33 | 174.0° | 179.9° |
| C30 | C25 | C26 | H34 | 67.5° | 60.0° |
| C25 | C30 | C29 | H40 | 176.8° | 60.0° |
| C25 | C30 | C29 | H39 | 58.1° | 180.0° |
| C25 | C30 | H41 | H42 | 119.2° | 120.0° |
| C20 | C21 | C22 | H27 | 120.4° | 119.8° |
| C20 | C21 | C22 | H28 | 120.3° | 119.9° |
| C20 | C21 | C22 | N4 | 50.2° | 54.0° |
| C21 | C20 | C19 | H24 | 64.1° | 178.6° |
| C21 | C20 | C19 | H23 | 177.2° | 59.2° |
| C21 | C20 | H25 | H26 | 119.6° | 120.2° |
| C20 | C21 | H27 | H28 | 118.9° | 120.4° |
| C20 | C21 | C22 | H29 | 70.4° | 66.2° |
| C20 | C21 | C22 | H30 | 170.8° | 174.0° |
| C28 | C27 | C26 | C25 | 58.5° | 59.9° |
| C28 | C27 | C26 | H36 | 120.2° | 120.0° |
| C28 | C27 | C26 | H35 | 120.2° | 120.0° |
| C28 | C27 | C26 | H33 | 179.2° | 180.0° |
| C28 | C27 | C26 | H34 | 62.3° | 60.0° |
| C28 | C27 | H36 | H35 | 119.5° | 120.0° |
| C27 | C28 | H38 | H37 | 122.0° | 120.0° |
| C27 | C28 | C29 | H40 | 177.3° | 60.0° |
| C27 | C28 | C29 | H39 | 58.6° | 180.0° |
| C21 | C22 | N4 | C18 | 45.5° | 49.1° |
| C21 | C22 | N4 | H29 | 120.5° | 120.1° |
| C21 | C22 | N4 | H30 | 120.6° | 120.1° |
| C21 | C22 | N4 | C23 | 152.9° | 131.3° |
| C22 | C21 | C20 | H25 | 64.4° | 57.7° |
| C22 | C21 | C20 | H26 | 175.8° | 177.9° |
| C22 | C21 | H27 | H28 | 119.0° | 120.2° |
| C21 | C22 | H29 | H30 | 118.2° | 119.9° |
| N4 | C18 | C17 | H22 | 120.8° | 118.8° |
| C18 | N4 | C22 | C23 | 161.6° | 179.5° |
| C18 | N4 | C23 | O6 | 5.1° | 0.3° |
| C18 | N4 | C23 | C24 | 169.8° | 179.7° |
| N4 | C18 | C17 | O5 | 178.3° | 77.5° |
| N4 | C18 | C17 | O4 | 7.4° | 102.7° |
| N4 | C18 | C19 | H24 | 70.9° | 171.2° |
| N4 | C18 | C19 | H23 | 170.4° | 69.4° |
| C18 | N4 | C22 | H29 | 75.1° | 71.0° |
| C18 | N4 | C22 | H30 | 166.0° | 169.2° |
| C17 | C18 | N4 | C22 | 76.4° | 74.7° |
| C17 | C18 | N4 | C23 | 85.9° | 104.9° |
| C18 | C17 | O5 | O4 | 173.5° | 179.9° |
| C18 | C17 | O4 | C16 | 172.1° | 177.6° |
| C17 | C18 | C19 | H24 | 166.2° | 49.5° |
| C17 | C18 | C19 | H23 | 47.5° | 168.9° |
| C22 | N4 | C23 | O6 | 166.4° | 179.9° |
| C22 | N4 | C23 | C24 | 8.4° | 0.1° |
| C22 | N4 | C18 | H22 | 163.2° | 166.5° |
| N4 | C22 | C21 | H27 | 170.5° | 173.8° |
| N4 | C22 | C21 | H28 | 70.2° | 65.9° |
| N4 | C22 | H29 | H30 | 118.3° | 119.7° |
| N4 | C23 | O6 | C24 | 174.8° | 180.0° |
| N4 | C23 | C24 | C25 | 150.4° | 88.3° |
| N4 | C23 | C24 | C4 | 87.3° | 151.5° |
| C23 | N4 | C18 | H22 | 34.5° | 14.0° |
| C23 | N4 | C22 | H29 | 86.5° | 108.6° |
| C23 | N4 | C22 | H30 | 32.3° | 11.2° |
| N4 | C23 | C24 | H31 | 31.1° | 31.3° |
| O6 | C23 | C24 | C25 | 34.6° | 91.7° |
| O6 | C23 | C24 | C4 | 87.7° | 28.5° |
| O6 | C23 | C24 | H31 | 153.9° | 148.7° |
| C23 | C24 | C25 | C4 | 121.9° | 120.8° |
| C23 | C24 | C25 | H31 | 119.3° | 119.6° |
| C23 | C24 | C25 | C26 | 171.8° | 61.0° |
| C23 | C24 | C4 | H31 | 118.4° | 120.2° |
| C23 | C24 | C4 | C5 | 125.2° | 22.1° |
| C23 | C24 | C4 | C3 | 50.1° | 158.2° |
| C23 | C24 | C25 | H32 | 51.0° | 179.0° |
| C24 | C25 | C26 | H32 | 120.7° | 119.9° |
| C24 | C25 | C26 | C27 | 176.9° | 180.0° |
| C25 | C24 | C4 | H31 | 118.7° | 119.5° |
| C25 | C24 | C4 | C5 | 111.9° | 142.3° |
| C25 | C24 | C4 | C3 | 72.8° | 37.9° |
| C24 | C25 | C26 | H33 | 62.4° | 59.9° |
| C24 | C25 | C26 | H34 | 56.2° | 60.0° |
| C24 | C25 | C30 | H41 | 59.9° | 60.0° |
| C24 | C25 | C30 | H42 | 59.6° | 60.0° |
| C25 | C26 | C27 | H33 | 120.7° | 120.0° |
| C25 | C26 | C27 | H34 | 120.8° | 119.9° |
| C26 | C25 | C24 | C4 | 49.9° | 178.2° |
| C26 | C25 | C24 | H31 | 68.8° | 58.6° |
| C25 | C26 | H33 | H34 | 117.8° | 119.9° |
| C25 | C26 | C27 | H36 | 178.6° | 60.0° |
| C25 | C26 | C27 | H35 | 61.7° | 180.0° |
| C26 | C25 | C30 | H41 | 174.1° | 60.0° |
| C26 | C25 | C30 | H42 | 66.4° | 180.0° |
| C27 | C26 | C25 | H32 | 62.4° | 60.1° |
| C27 | C26 | H33 | H34 | 117.8° | 120.0° |
| C26 | C27 | H36 | H35 | 119.4° | 120.0° |
| C26 | C27 | C28 | H38 | 62.0° | 180.0° |
| C26 | C27 | C28 | H37 | 176.7° | 60.0° |
| C24 | C4 | C5 | C3 | 175.4° | 179.7° |
| C24 | C4 | C5 | C6 | 179.7° | 179.7° |
| C24 | C4 | C3 | C2 | 178.9° | 179.6° |
| C24 | C4 | C5 | H5 | 0.3° | 0.4° |
| C24 | C4 | C3 | H4 | 1.1° | 0.4° |
| C4 | C24 | C25 | H32 | 70.9° | 58.2° |
| O5 | C17 | O4 | C16 | 2.0° | 2.3° |
| O5 | C17 | C18 | H22 | 57.4° | 163.7° |
| C17 | O4 | C16 | C15 | 156.8° | 137.4° |
| C17 | O4 | C16 | H21 | 83.5° | 102.7° |
| C17 | O4 | C16 | H20 | 37.0° | 17.3° |
| O4 | C17 | C18 | H22 | 128.2° | 16.2° |
| O4 | C16 | C15 | H21 | 119.7° | 119.9° |
| O4 | C16 | C15 | H20 | 119.7° | 120.0° |
| O4 | C16 | C15 | C14 | 70.7° | 143.3° |
| O4 | C16 | C15 | H19 | 50.0° | 96.5° |
| O4 | C16 | C15 | H18 | 168.7° | 23.2° |
| O4 | C16 | H21 | H20 | 120.8° | 120.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 5.8° | 0.2° |
| C4 | C5 | C6 | O3 | 173.8° | 179.6° |
| C4 | C5 | C6 | C7 | 2.2° | 0.2° |
| C5 | C4 | C3 | H4 | 174.2° | 179.8° |
| C5 | C4 | C24 | H31 | 6.8° | 98.1° |
| C3 | C4 | C5 | C6 | 4.3° | 0.0° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | C7 | 5.0° | 0.1° |
| C4 | C3 | C2 | O1 | 173.5° | 179.9° |
| C3 | C4 | C5 | H5 | 175.7° | 179.8° |
| C3 | C4 | C24 | H31 | 168.5° | 81.6° |
| C5 | C6 | O3 | C7 | 176.2° | 179.8° |
| C5 | C6 | O3 | C9 | 4.1° | 28.8° |
| C5 | C6 | C7 | C2 | 1.5° | 0.2° |
| C5 | C6 | C7 | O2 | 170.5° | 179.8° |
| C3 | C2 | C7 | C6 | 2.9° | 0.1° |
| C3 | C2 | C7 | O1 | 178.7° | 180.0° |
| C3 | C2 | O1 | C1 | 0.6° | 0.1° |
| C3 | C2 | C7 | O2 | 171.4° | 179.9° |
| C16 | C15 | C14 | H19 | 120.7° | 120.1° |
| C16 | C15 | C14 | H18 | 120.6° | 120.0° |
| C16 | C15 | C14 | C13 | 157.3° | 90.3° |
| C16 | C15 | C14 | H17 | 82.5° | 29.7° |
| C16 | C15 | C14 | H16 | 37.1° | 149.7° |
| C16 | C15 | H19 | H18 | 118.0° | 119.7° |
| C15 | C16 | H21 | H20 | 120.8° | 120.1° |
| C13 | C12 | N1 | H15 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 110.4° | 57.5° |
| C12 | C13 | C14 | N2 | 175.9° | 180.0° |
| C13 | C12 | N1 | C11 | 175.5° | 180.0° |
| C13 | C12 | N1 | N3 | 6.1° | 0.1° |
| C12 | C13 | N2 | N3 | 1.7° | 0.1° |
| C12 | C13 | C14 | H17 | 129.4° | 62.5° |
| C12 | C13 | C14 | H16 | 9.8° | 177.5° |
| N1 | C12 | C13 | C14 | 178.9° | 180.0° |
| N1 | C12 | C13 | N2 | 4.7° | 0.0° |
| C12 | N1 | C11 | N3 | 168.4° | 180.0° |
| C12 | N1 | C11 | C10 | 100.9° | 58.1° |
| C12 | N1 | N3 | N2 | 5.2° | 0.1° |
| C12 | N1 | C11 | H14 | 138.8° | 61.9° |
| C12 | N1 | C11 | H13 | 19.5° | 178.1° |
| C15 | C14 | C13 | H17 | 120.2° | 120.0° |
| C15 | C14 | C13 | H16 | 120.2° | 119.9° |
| C15 | C14 | C13 | N2 | 65.5° | 122.4° |
| C15 | C14 | H17 | H16 | 119.3° | 120.0° |
| C14 | C15 | H19 | H18 | 118.0° | 119.8° |
| C14 | C15 | C16 | H21 | 169.6° | 23.4° |
| C14 | C15 | C16 | H20 | 49.1° | 96.7° |
| C14 | C13 | N2 | N3 | 178.5° | 179.9° |
| C13 | C14 | H17 | H16 | 119.4° | 120.0° |
| C14 | C13 | C12 | H15 | 1.0° | 0.1° |
| C13 | C14 | C15 | H19 | 36.6° | 149.6° |
| C13 | C14 | C15 | H18 | 82.0° | 29.7° |
| C13 | N2 | N3 | N1 | 2.0° | 0.1° |
| N2 | C13 | C14 | H17 | 54.7° | 117.6° |
| N2 | C13 | C14 | H16 | 174.3° | 2.5° |
| N2 | C13 | C12 | H15 | 175.3° | 179.9° |
| C6 | O3 | C9 | C10 | 154.0° | 146.0° |
| O3 | C6 | C7 | C2 | 175.0° | 179.6° |
| O3 | C6 | C7 | O2 | 6.0° | 0.4° |
| O3 | C6 | C5 | H5 | 6.1° | 0.2° |
| C6 | O3 | C9 | H9 | 34.1° | 94.0° |
| C6 | O3 | C9 | H10 | 86.0° | 26.1° |
| C7 | C6 | O3 | C9 | 172.1° | 151.4° |
| C6 | C7 | C2 | O2 | 168.5° | 180.0° |
| C6 | C7 | C2 | O1 | 175.8° | 179.9° |
| C6 | C7 | O2 | C8 | 99.8° | 90.0° |
| C7 | C6 | C5 | H5 | 177.9° | 180.0° |
| O3 | C9 | C10 | H9 | 119.9° | 120.0° |
| O3 | C9 | C10 | H10 | 120.0° | 119.9° |
| O3 | C9 | C10 | C11 | 95.8° | 131.7° |
| O3 | C9 | H9 | H10 | 120.1° | 120.0° |
| O3 | C9 | C10 | H11 | 144.0° | 108.2° |
| O3 | C9 | C10 | H12 | 24.3° | 11.6° |
| C9 | C10 | C11 | N1 | 61.2° | 106.5° |
| C9 | C10 | C11 | H11 | 120.2° | 120.1° |
| C9 | C10 | C11 | H12 | 120.2° | 120.0° |
| C9 | C10 | C11 | H14 | 178.4° | 13.5° |
| C9 | C10 | C11 | H13 | 59.2° | 133.5° |
| C10 | C9 | H9 | H10 | 120.1° | 120.1° |
| C9 | C10 | H11 | H12 | 119.5° | 119.8° |
| N1 | C11 | C10 | H14 | 120.4° | 120.0° |
| N1 | C11 | C10 | H13 | 120.4° | 120.1° |
| C11 | N1 | N3 | N2 | 175.4° | 179.9° |
| N1 | C11 | H14 | H13 | 118.9° | 120.0° |
| N1 | C11 | C10 | H11 | 178.6° | 13.6° |
| N1 | C11 | C10 | H12 | 59.0° | 133.6° |
| C11 | N1 | C12 | H15 | 4.6° | 0.1° |
| C10 | C11 | N1 | N3 | 67.5° | 121.9° |
| C10 | C11 | H14 | H13 | 118.8° | 120.0° |
| C11 | C10 | C9 | H9 | 24.1° | 11.7° |
| C11 | C10 | C9 | H10 | 144.2° | 108.4° |
| C11 | C10 | H11 | H12 | 119.5° | 119.9° |
| C7 | C2 | O1 | C1 | 179.2° | 180.0° |
| C2 | C7 | O2 | C8 | 91.4° | 90.0° |
| C7 | C2 | C3 | H4 | 175.0° | 179.9° |
| O1 | C2 | C7 | O2 | 7.3° | 0.1° |
| O1 | C2 | C3 | H4 | 6.5° | 0.1° |
| C2 | O1 | C1 | H2 | 180.0° | 60.1° |
| C2 | O1 | C1 | H3 | 60.0° | 180.0° |
| C2 | O1 | C1 | H1 | 60.0° | 60.0° |
| N3 | N1 | C11 | H14 | 52.9° | 118.1° |
| N3 | N1 | C11 | H13 | 172.1° | 1.8° |
| N3 | N1 | C12 | H15 | 173.9° | 180.0° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H1 | 120.0° | 120.0° |
| O1 | C1 | H3 | H1 | 120.0° | 120.0° |
| C7 | O2 | C8 | H7 | 180.0° | 180.0° |
| C7 | O2 | C8 | H8 | 60.0° | 60.0° |
| C7 | O2 | C8 | H6 | 60.0° | 60.0° |
| O2 | C8 | H7 | H8 | 120.0° | 120.0° |
| O2 | C8 | H7 | H6 | 120.0° | 120.0° |
| O2 | C8 | H8 | H6 | 120.0° | 120.0° |
| H17 | C14 | C15 | H19 | 156.9° | 90.4° |
| H17 | C14 | C15 | H18 | 38.2° | 149.8° |
| H16 | C14 | C15 | H19 | 83.6° | 29.6° |
| H16 | C14 | C15 | H18 | 157.7° | 90.2° |
| H14 | C11 | C10 | H11 | 58.2° | 133.6° |
| H14 | C11 | C10 | H12 | 61.4° | 106.5° |
| H13 | C11 | C10 | H11 | 61.0° | 106.4° |
| H13 | C11 | C10 | H12 | 179.3° | 13.5° |
| H7 | C8 | H8 | H6 | 120.0° | 120.0° |
| H9 | C9 | C10 | H11 | 96.1° | 131.9° |
| H9 | C9 | C10 | H12 | 144.2° | 108.3° |
| H10 | C9 | C10 | H11 | 24.0° | 11.7° |
| H10 | C9 | C10 | H12 | 95.6° | 131.6° |
| H2 | C1 | H3 | H1 | 120.0° | 120.0° |
| H19 | C15 | C16 | H21 | 69.7° | 143.6° |
| H19 | C15 | C16 | H20 | 169.7° | 23.5° |
| H18 | C15 | C16 | H21 | 49.0° | 96.7° |
| H18 | C15 | C16 | H20 | 71.6° | 143.3° |
| H22 | C18 | C19 | H24 | 48.9° | 69.8° |
| H22 | C18 | C19 | H23 | 69.8° | 49.6° |
| H24 | C19 | C20 | H25 | 175.7° | 61.5° |
| H24 | C19 | C20 | H26 | 55.9° | 58.8° |
| H23 | C19 | C20 | H25 | 57.1° | 179.1° |
| H23 | C19 | C20 | H26 | 62.7° | 60.7° |
| H25 | C20 | C21 | H27 | 56.0° | 62.1° |
| H25 | C20 | C21 | H28 | 175.3° | 177.5° |
| H26 | C20 | C21 | H27 | 63.8° | 58.2° |
| H26 | C20 | C21 | H28 | 55.5° | 62.2° |
| H27 | C21 | C22 | H29 | 50.0° | 53.7° |
| H27 | C21 | C22 | H30 | 68.9° | 66.2° |
| H28 | C21 | C22 | H29 | 169.3° | 174.0° |
| H28 | C21 | C22 | H30 | 50.4° | 54.1° |
| H31 | C24 | C25 | H32 | 170.3° | 61.4° |
| H32 | C25 | C26 | H33 | 58.3° | 60.0° |
| H32 | C25 | C26 | H34 | 176.9° | 180.0° |
| H32 | C25 | C30 | H41 | 58.3° | 180.0° |
| H32 | C25 | C30 | H42 | 177.7° | 60.0° |
| H33 | C26 | C27 | H36 | 60.7° | 60.0° |
| H33 | C26 | C27 | H35 | 59.0° | 60.0° |
| H34 | C26 | C27 | H36 | 57.9° | 180.0° |
| H34 | C26 | C27 | H35 | 177.5° | 60.0° |
| H36 | C27 | C28 | H38 | 58.2° | 60.0° |
| H36 | C27 | C28 | H37 | 63.2° | 180.0° |
| H35 | C27 | C28 | H38 | 177.8° | 59.9° |
| H35 | C27 | C28 | H37 | 56.5° | 60.0° |
| H38 | C28 | C29 | H40 | 63.4° | 60.1° |
| H38 | C28 | C29 | H39 | 177.9° | 59.9° |
| H37 | C28 | C29 | H40 | 57.9° | 180.0° |
| H37 | C28 | C29 | H39 | 60.8° | 60.0° |
| H40 | C29 | C30 | H41 | 56.5° | 180.0° |
| H40 | C29 | C30 | H42 | 62.9° | 60.0° |
| H39 | C29 | C30 | H41 | 62.2° | 60.0° |
| H39 | C29 | C30 | H42 | 178.4° | 60.0° |
