A1INL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C29 | sing | 1.53Å | 1.50Å | |
| C28 | C27 | sing | 1.53Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.50Å | |
| C18 | C17 | sing | 1.54Å | 1.54Å | |
| C29 | C24 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | sing | 1.52Å | 1.53Å | |
| C20 | C21 | sing | 1.52Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C17 | N4 | sing | 1.46Å | 1.48Å | |
| C17 | C16 | sing | 1.50Å | 1.52Å | |
| N4 | C22 | sing | 1.35Å | 1.35Å | |
| N4 | C21 | sing | 1.47Å | 1.53Å | |
| O6 | C22 | doub | 1.21Å | 1.20Å | |
| C22 | C23 | sing | 1.51Å | 1.55Å | |
| C24 | C23 | sing | 1.53Å | 1.55Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C23 | C4 | sing | 1.51Å | 1.53Å | |
| O5 | C16 | doub | 1.21Å | 1.19Å | |
| C16 | O4 | sing | 1.34Å | 1.34Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| O4 | C15 | sing | 1.45Å | 1.47Å | |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.52Å | 1.50Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.51Å | 1.49Å | |
| C11 | C12 | doub | 1.35Å | 1.37Å | Aromatic |
| C11 | N1 | sing | 1.35Å | 1.34Å | Aromatic |
| C12 | N2 | sing | 1.33Å | 1.34Å | Aromatic |
| C6 | O3 | sing | 1.36Å | 1.38Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | O3 | sing | 1.43Å | 1.43Å | |
| C2 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.36Å | |
| N1 | C10 | sing | 1.47Å | 1.45Å | |
| N1 | N3 | sing | 1.29Å | 1.34Å | Aromatic |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C7 | O2 | sing | 1.36Å | 1.38Å | |
| N2 | N3 | doub | 1.29Å | 1.32Å | Aromatic |
| O2 | C8 | sing | 1.43Å | 1.44Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | 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 | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | 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 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C28 | C27 | 115.8° | 109.5° |
| C28 | C29 | C24 | 114.1° | 109.4° |
| C29 | C28 | H38 | 107.9° | 109.5° |
| C29 | C28 | H37 | 107.9° | 109.4° |
| C28 | C29 | H39 | 108.3° | 109.5° |
| C28 | C29 | H40 | 108.3° | 109.5° |
| C28 | C27 | C26 | 108.0° | 109.4° |
| C28 | C27 | H36 | 109.8° | 109.5° |
| C28 | C27 | H35 | 109.8° | 109.5° |
| C27 | C28 | H38 | 107.9° | 109.5° |
| C27 | C28 | H37 | 107.9° | 109.5° |
| C19 | C18 | C17 | 116.4° | 109.1° |
| C18 | C19 | C20 | 109.0° | 111.4° |
| C19 | C18 | H22 | 107.7° | 109.6° |
| C19 | C18 | H21 | 107.7° | 109.5° |
| C18 | C19 | H23 | 109.6° | 109.1° |
| C18 | C19 | H24 | 109.6° | 109.1° |
| C18 | C17 | N4 | 111.9° | 109.0° |
| C18 | C17 | C16 | 109.3° | 109.0° |
| C18 | C17 | H20 | 107.9° | 108.9° |
| C17 | C18 | H22 | 107.7° | 109.6° |
| C17 | C18 | H21 | 107.7° | 109.5° |
| C29 | C24 | C23 | 111.1° | 109.5° |
| C29 | C24 | C25 | 106.8° | 109.5° |
| C29 | C24 | H30 | 107.9° | 109.5° |
| C24 | C29 | H39 | 108.3° | 109.4° |
| C24 | C29 | H40 | 108.3° | 109.4° |
| C19 | C20 | C21 | 112.4° | 112.2° |
| C20 | C19 | H23 | 109.6° | 109.1° |
| C20 | C19 | H24 | 109.6° | 109.1° |
| C19 | C20 | H25 | 108.8° | 108.9° |
| C19 | C20 | H26 | 108.7° | 108.9° |
| C20 | C21 | N4 | 113.4° | 110.9° |
| C21 | C20 | H25 | 108.7° | 109.0° |
| C21 | C20 | H26 | 108.7° | 109.0° |
| C20 | C21 | H27 | 108.5° | 109.2° |
| C20 | C21 | H28 | 108.5° | 109.2° |
| C27 | C26 | C25 | 110.2° | 109.5° |
| C27 | C26 | H34 | 109.3° | 109.5° |
| C27 | C26 | H33 | 109.3° | 109.5° |
| C26 | C27 | H36 | 109.8° | 109.5° |
| C26 | C27 | H35 | 109.8° | 109.5° |
| N4 | C17 | C16 | 110.8° | 110.5° |
| C17 | N4 | C22 | 122.6° | 120.7° |
| C17 | N4 | C21 | 116.1° | 119.8° |
| N4 | C17 | H20 | 108.7° | 109.8° |
| C17 | C16 | O5 | 123.7° | 119.8° |
| C17 | C16 | O4 | 111.0° | 120.4° |
| C16 | C17 | H20 | 108.1° | 109.5° |
| C22 | N4 | C21 | 119.8° | 119.5° |
| N4 | C22 | O6 | 117.6° | 120.3° |
| N4 | C22 | C23 | 120.1° | 119.3° |
| N4 | C21 | H27 | 108.5° | 109.2° |
| N4 | C21 | H28 | 108.5° | 109.1° |
| O6 | C22 | C23 | 121.2° | 120.4° |
| C22 | C23 | C24 | 110.0° | 109.4° |
| C22 | C23 | C4 | 110.8° | 110.0° |
| C22 | C23 | H29 | 108.7° | 109.4° |
| C23 | C24 | C25 | 114.8° | 109.4° |
| C24 | C23 | C4 | 109.4° | 109.4° |
| C24 | C23 | H29 | 108.8° | 109.3° |
| C23 | C24 | H30 | 107.8° | 109.5° |
| C24 | C25 | C26 | 111.9° | 109.5° |
| C25 | C24 | H30 | 108.3° | 109.5° |
| C24 | C25 | H31 | 108.9° | 109.5° |
| C24 | C25 | H32 | 108.9° | 109.5° |
| C23 | C4 | C5 | 120.4° | 119.8° |
| C23 | C4 | C3 | 119.6° | 120.1° |
| C4 | C23 | H29 | 109.0° | 109.4° |
| O5 | C16 | O4 | 124.9° | 119.8° |
| C16 | O4 | C15 | 118.4° | 118.1° |
| C26 | C25 | H31 | 108.9° | 109.5° |
| C26 | C25 | H32 | 108.9° | 109.5° |
| C25 | C26 | H34 | 109.3° | 109.5° |
| C25 | C26 | H33 | 109.3° | 109.4° |
| O4 | C15 | C14 | 114.1° | 111.0° |
| O4 | C15 | H19 | 108.3° | 109.2° |
| O4 | C15 | H18 | 108.3° | 109.1° |
| C5 | C4 | C3 | 119.9° | 120.1° |
| C4 | C5 | C6 | 120.7° | 120.1° |
| C4 | C5 | H5 | 119.6° | 120.0° |
| C4 | C3 | C2 | 119.1° | 120.1° |
| C4 | C3 | H4 | 120.5° | 120.0° |
| C5 | C6 | O3 | 127.2° | 119.9° |
| C5 | C6 | C7 | 119.5° | 120.1° |
| C6 | C5 | H5 | 119.7° | 119.9° |
| C3 | C2 | C7 | 120.6° | 120.0° |
| C3 | C2 | O1 | 125.1° | 120.0° |
| C2 | C3 | H4 | 120.4° | 119.9° |
| C15 | C14 | C13 | 115.4° | 109.9° |
| C15 | C14 | H17 | 108.0° | 109.4° |
| C15 | C14 | H16 | 108.0° | 109.4° |
| C14 | C15 | H19 | 108.3° | 109.2° |
| C14 | C15 | H18 | 108.3° | 109.1° |
| C14 | C13 | C12 | 117.2° | 108.8° |
| C13 | C14 | H17 | 108.0° | 109.4° |
| C13 | C14 | H16 | 108.0° | 109.4° |
| C14 | C13 | H15 | 107.5° | 109.5° |
| C14 | C13 | H14 | 107.5° | 109.6° |
| C13 | C12 | C11 | 129.8° | 126.1° |
| C13 | C12 | N2 | 122.9° | 127.3° |
| C12 | C13 | H15 | 107.5° | 109.6° |
| C12 | C13 | H14 | 107.5° | 109.6° |
| C12 | C11 | N1 | 105.5° | 106.1° |
| C11 | C12 | N2 | 107.3° | 106.6° |
| C12 | C11 | H13 | 127.2° | 127.0° |
| C11 | N1 | C10 | 129.4° | 125.8° |
| C11 | N1 | N3 | 110.8° | 108.2° |
| N1 | C11 | H13 | 127.3° | 126.9° |
| C12 | N2 | N3 | 110.5° | 109.0° |
| O3 | C6 | C7 | 113.1° | 120.0° |
| C6 | O3 | C9 | 115.8° | 117.4° |
| C6 | C7 | C2 | 119.9° | 119.7° |
| C6 | C7 | O2 | 118.7° | 120.2° |
| C10 | C9 | O3 | 109.1° | 109.8° |
| C9 | C10 | N1 | 116.2° | 109.6° |
| C10 | C9 | H10 | 109.6° | 109.5° |
| C10 | C9 | H9 | 109.5° | 109.4° |
| C9 | C10 | H11 | 107.8° | 109.4° |
| C9 | C10 | H12 | 107.8° | 109.5° |
| O3 | C9 | H10 | 109.5° | 109.4° |
| O3 | C9 | H9 | 109.5° | 109.4° |
| C7 | C2 | O1 | 114.1° | 120.0° |
| C2 | C7 | O2 | 121.3° | 120.2° |
| C2 | O1 | C1 | 115.9° | 117.0° |
| C10 | N1 | N3 | 119.5° | 126.0° |
| N1 | C10 | H11 | 107.8° | 109.4° |
| N1 | C10 | H12 | 107.7° | 109.4° |
| N1 | N3 | N2 | 105.5° | 110.0° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| C7 | O2 | C8 | 115.8° | 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 | 109.5° | 109.4° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H7 | C8 | H6 | 109.5° | 109.5° |
| H8 | C8 | H6 | 109.5° | 109.4° |
| H10 | C9 | H9 | 109.5° | 109.3° |
| H11 | C10 | H12 | 109.5° | 109.4° |
| H15 | C13 | H14 | 109.5° | 109.7° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H1 | 109.4° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H19 | C15 | H18 | 109.4° | 109.2° |
| H22 | C18 | H21 | 109.4° | 109.6° |
| H23 | C19 | H24 | 109.5° | 109.0° |
| H25 | C20 | H26 | 109.4° | 108.9° |
| H27 | C21 | H28 | 109.5° | 109.2° |
| H31 | C25 | H32 | 109.5° | 109.5° |
| H34 | C26 | H33 | 109.5° | 109.5° |
| H36 | C27 | H35 | 109.5° | 109.5° |
| H38 | C28 | H37 | 109.5° | 109.5° |
| H39 | C29 | H40 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C28 | C27 | H38 | 120.9° | 120.0° |
| C29 | C28 | C27 | H37 | 120.9° | 119.9° |
| C28 | C29 | C24 | H39 | 120.7° | 120.0° |
| C28 | C29 | C24 | H40 | 120.7° | 119.9° |
| C29 | C28 | C27 | C26 | 50.8° | 60.1° |
| C28 | C29 | C24 | C23 | 176.9° | 180.0° |
| C28 | C29 | C24 | C25 | 51.1° | 60.0° |
| C28 | C29 | C24 | H30 | 65.1° | 60.0° |
| C29 | C28 | C27 | H36 | 69.0° | 180.0° |
| C29 | C28 | C27 | H35 | 170.6° | 60.0° |
| C29 | C28 | H38 | H37 | 117.2° | 120.0° |
| C28 | C29 | H39 | H40 | 117.8° | 120.1° |
| C27 | C28 | C29 | C24 | 50.0° | 60.0° |
| C28 | C27 | C26 | H36 | 119.8° | 120.0° |
| C28 | C27 | C26 | H35 | 119.8° | 120.0° |
| C28 | C27 | C26 | C25 | 56.4° | 60.0° |
| C28 | C27 | C26 | H34 | 176.6° | 60.0° |
| C28 | C27 | C26 | H33 | 63.7° | 180.0° |
| C28 | C27 | H36 | H35 | 120.6° | 120.0° |
| C27 | C28 | H38 | H37 | 117.1° | 120.0° |
| C27 | C28 | C29 | H39 | 170.7° | 59.9° |
| C27 | C28 | C29 | H40 | 70.7° | 180.0° |
| C19 | C18 | C17 | H22 | 121.0° | 119.9° |
| C19 | C18 | C17 | H21 | 121.0° | 119.8° |
| C18 | C19 | C20 | H23 | 119.9° | 120.5° |
| C18 | C19 | C20 | H24 | 119.9° | 120.5° |
| C18 | C19 | C20 | C21 | 54.3° | 25.2° |
| C19 | C18 | C17 | N4 | 48.3° | 43.9° |
| C19 | C18 | C17 | C16 | 74.8° | 164.6° |
| C19 | C18 | C17 | H20 | 167.8° | 76.0° |
| C19 | C18 | H22 | H21 | 116.9° | 120.2° |
| C18 | C19 | H23 | H24 | 120.2° | 119.0° |
| C18 | C19 | C20 | H25 | 174.7° | 95.5° |
| C18 | C19 | C20 | H26 | 66.2° | 145.9° |
| C17 | C18 | C19 | C20 | 53.9° | 65.8° |
| C18 | C17 | N4 | C16 | 122.3° | 119.8° |
| C18 | C17 | N4 | H20 | 119.0° | 119.3° |
| C18 | C17 | C16 | H20 | 117.2° | 119.1° |
| C18 | C17 | N4 | C22 | 151.8° | 164.2° |
| C18 | C17 | N4 | C21 | 42.3° | 15.5° |
| C18 | C17 | C16 | O5 | 55.0° | 53.9° |
| C18 | C17 | C16 | O4 | 119.0° | 126.1° |
| C17 | C18 | H22 | H21 | 116.9° | 120.2° |
| C17 | C18 | C19 | H23 | 66.0° | 173.6° |
| C17 | C18 | C19 | H24 | 173.9° | 54.7° |
| C29 | C24 | C23 | C22 | 65.4° | 56.8° |
| C29 | C24 | C23 | C25 | 121.3° | 120.0° |
| C29 | C24 | C23 | H30 | 118.0° | 120.0° |
| C29 | C24 | C25 | H30 | 115.9° | 120.0° |
| C29 | C24 | C23 | C4 | 172.7° | 63.7° |
| C29 | C24 | C25 | C26 | 58.7° | 60.0° |
| C29 | C24 | C23 | H29 | 53.7° | 176.6° |
| C29 | C24 | C25 | H31 | 179.0° | 180.0° |
| C29 | C24 | C25 | H32 | 61.7° | 60.0° |
| C24 | C29 | C28 | H38 | 170.9° | 60.0° |
| C24 | C29 | C28 | H37 | 70.9° | 180.0° |
| C24 | C29 | H39 | H40 | 117.9° | 120.0° |
| C19 | C20 | C21 | H25 | 120.5° | 120.7° |
| C19 | C20 | C21 | H26 | 120.5° | 120.7° |
| C19 | C20 | C21 | N4 | 50.9° | 31.4° |
| C20 | C19 | C18 | H22 | 67.1° | 54.1° |
| C20 | C19 | C18 | H21 | 174.9° | 174.4° |
| C20 | C19 | H23 | H24 | 120.2° | 119.1° |
| C19 | C20 | H25 | H26 | 118.7° | 118.6° |
| C19 | C20 | C21 | H27 | 69.7° | 89.0° |
| C19 | C20 | C21 | H28 | 171.5° | 151.7° |
| C20 | C21 | N4 | C17 | 45.4° | 56.0° |
| C20 | C21 | N4 | C22 | 148.3° | 123.8° |
| C20 | C21 | N4 | H27 | 120.6° | 120.4° |
| C20 | C21 | N4 | H28 | 120.6° | 120.3° |
| C21 | C20 | C19 | H23 | 65.6° | 145.7° |
| C21 | C20 | C19 | H24 | 174.2° | 95.3° |
| C21 | C20 | H25 | H26 | 118.6° | 118.7° |
| C20 | C21 | H27 | H28 | 118.2° | 119.3° |
| C27 | C26 | C25 | C24 | 64.6° | 60.0° |
| C27 | C26 | C25 | H34 | 120.1° | 120.0° |
| C27 | C26 | C25 | H33 | 120.1° | 120.0° |
| C27 | C26 | C25 | H31 | 175.0° | 180.0° |
| C27 | C26 | C25 | H32 | 55.7° | 60.0° |
| C27 | C26 | H34 | H33 | 119.7° | 120.0° |
| C26 | C27 | H36 | H35 | 120.7° | 120.0° |
| C26 | C27 | C28 | H38 | 171.7° | 60.0° |
| C26 | C27 | C28 | H37 | 70.1° | 180.0° |
| N4 | C17 | C16 | H20 | 119.0° | 121.1° |
| C17 | N4 | C22 | C21 | 165.4° | 179.8° |
| C17 | N4 | C22 | O6 | 0.2° | 2.7° |
| C17 | N4 | C22 | C23 | 168.5° | 177.2° |
| N4 | C17 | C16 | O5 | 178.8° | 65.9° |
| N4 | C17 | C16 | O4 | 4.7° | 114.1° |
| N4 | C17 | C18 | H22 | 72.7° | 76.1° |
| N4 | C17 | C18 | H21 | 169.3° | 163.7° |
| C17 | N4 | C21 | H27 | 75.2° | 64.4° |
| C17 | N4 | C21 | H28 | 165.9° | 176.3° |
| C16 | C17 | N4 | C22 | 85.9° | 76.0° |
| C16 | C17 | N4 | C21 | 80.0° | 104.3° |
| C17 | C16 | O5 | O4 | 173.2° | 180.0° |
| C17 | C16 | O4 | C15 | 178.9° | 167.5° |
| C16 | C17 | C18 | H22 | 164.2° | 44.7° |
| C16 | C17 | C18 | H21 | 46.2° | 75.6° |
| N4 | C22 | O6 | C23 | 168.1° | 179.9° |
| N4 | C22 | C23 | C24 | 155.9° | 62.6° |
| N4 | C22 | C23 | C4 | 83.1° | 177.3° |
| C22 | N4 | C17 | H20 | 32.8° | 44.9° |
| C22 | N4 | C21 | H27 | 91.1° | 115.8° |
| C22 | N4 | C21 | H28 | 27.8° | 3.5° |
| N4 | C22 | C23 | H29 | 36.8° | 57.2° |
| C21 | N4 | C22 | O6 | 165.2° | 177.5° |
| C21 | N4 | C22 | C23 | 3.1° | 2.5° |
| C21 | N4 | C17 | H20 | 161.3° | 134.8° |
| N4 | C21 | C20 | H25 | 171.4° | 152.1° |
| N4 | C21 | C20 | H26 | 69.6° | 89.2° |
| N4 | C21 | H27 | H28 | 118.2° | 119.3° |
| O6 | C22 | C23 | C24 | 36.3° | 117.4° |
| O6 | C22 | C23 | C4 | 84.8° | 2.8° |
| O6 | C22 | C23 | H29 | 155.4° | 122.9° |
| C22 | C23 | C24 | C4 | 121.9° | 120.5° |
| C22 | C23 | C24 | H29 | 119.0° | 119.8° |
| C22 | C23 | C24 | C25 | 173.3° | 63.2° |
| C22 | C23 | C4 | H29 | 119.6° | 120.1° |
| C22 | C23 | C4 | C5 | 124.5° | 28.8° |
| C22 | C23 | C4 | C3 | 56.8° | 151.7° |
| C22 | C23 | C24 | H30 | 52.6° | 176.8° |
| C23 | C24 | C25 | H30 | 120.5° | 120.0° |
| C24 | C23 | C4 | H29 | 118.9° | 119.7° |
| C23 | C24 | C25 | C26 | 177.7° | 180.0° |
| C24 | C23 | C4 | C5 | 114.1° | 148.9° |
| C24 | C23 | C4 | C3 | 64.6° | 31.6° |
| C23 | C24 | C25 | H31 | 57.4° | 60.0° |
| C23 | C24 | C25 | H32 | 61.9° | 60.0° |
| C23 | C24 | C29 | H39 | 62.4° | 60.0° |
| C23 | C24 | C29 | H40 | 56.2° | 60.1° |
| C25 | C24 | C23 | C4 | 51.4° | 176.3° |
| C24 | C25 | C26 | H31 | 120.4° | 120.0° |
| C24 | C25 | C26 | H32 | 120.4° | 120.0° |
| C25 | C24 | C23 | H29 | 67.6° | 56.6° |
| C24 | C25 | H31 | H32 | 118.9° | 120.0° |
| C24 | C25 | C26 | H34 | 175.3° | 60.0° |
| C24 | C25 | C26 | H33 | 55.5° | 180.0° |
| C25 | C24 | C29 | H39 | 171.7° | 60.0° |
| C25 | C24 | C29 | H40 | 69.6° | 180.0° |
| C23 | C4 | C5 | C3 | 178.7° | 179.5° |
| C23 | C4 | C5 | C6 | 175.7° | 178.9° |
| C23 | C4 | C3 | C2 | 179.3° | 179.1° |
| C23 | C4 | C5 | H5 | 4.2° | 1.2° |
| C23 | C4 | C3 | H4 | 0.7° | 0.9° |
| C4 | C23 | C24 | H30 | 69.3° | 56.3° |
| O5 | C16 | O4 | C15 | 7.2° | 12.5° |
| O5 | C16 | C17 | H20 | 62.2° | 173.0° |
| C16 | O4 | C15 | C14 | 73.8° | 91.5° |
| C16 | O4 | C15 | H19 | 165.5° | 29.0° |
| C16 | O4 | C15 | H18 | 46.9° | 148.2° |
| O4 | C16 | C17 | H20 | 123.8° | 7.0° |
| C26 | C25 | C24 | H30 | 57.3° | 60.0° |
| C26 | C25 | H31 | H32 | 118.9° | 120.0° |
| C25 | C26 | H34 | H33 | 119.7° | 120.0° |
| C25 | C26 | C27 | H36 | 63.3° | 180.0° |
| C25 | C26 | C27 | H35 | 176.2° | 60.0° |
| O4 | C15 | C14 | H19 | 120.7° | 120.5° |
| O4 | C15 | C14 | H18 | 120.7° | 120.3° |
| O4 | C15 | C14 | C13 | 50.4° | 123.5° |
| O4 | C15 | C14 | H17 | 171.3° | 3.3° |
| O4 | C15 | C14 | H16 | 70.5° | 116.4° |
| O4 | C15 | H19 | H18 | 117.9° | 119.2° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 2.0° | 0.3° |
| C4 | C5 | C6 | O3 | 177.9° | 179.7° |
| C4 | C5 | C6 | C7 | 5.8° | 0.5° |
| C5 | C4 | C3 | H4 | 178.0° | 179.6° |
| C5 | C4 | C23 | H29 | 4.9° | 91.4° |
| C3 | C4 | C5 | C6 | 3.0° | 0.6° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | C7 | 4.2° | 0.0° |
| C4 | C3 | C2 | O1 | 178.8° | 180.0° |
| C3 | C4 | C5 | H5 | 177.1° | 179.3° |
| C3 | C4 | C23 | H29 | 176.4° | 88.1° |
| C5 | C6 | O3 | C7 | 176.6° | 179.8° |
| C5 | C6 | O3 | C9 | 26.2° | 57.6° |
| C5 | C6 | C7 | C2 | 3.6° | 0.2° |
| C5 | C6 | C7 | O2 | 179.0° | 179.8° |
| C3 | C2 | C7 | C6 | 1.4° | 0.1° |
| C3 | C2 | C7 | O1 | 175.1° | 180.0° |
| C3 | C2 | O1 | C1 | 12.3° | 0.0° |
| C3 | C2 | C7 | O2 | 173.9° | 180.0° |
| C15 | C14 | C13 | H17 | 120.9° | 120.2° |
| C15 | C14 | C13 | H16 | 120.9° | 120.1° |
| C15 | C14 | C13 | C12 | 59.3° | 134.6° |
| C15 | C14 | H17 | H16 | 117.3° | 119.8° |
| C15 | C14 | C13 | H15 | 179.6° | 14.8° |
| C15 | C14 | C13 | H14 | 61.8° | 105.6° |
| C14 | C15 | H19 | H18 | 117.9° | 119.2° |
| C14 | C13 | C12 | H15 | 121.1° | 119.8° |
| C14 | C13 | C12 | H14 | 121.1° | 119.8° |
| C14 | C13 | C12 | C11 | 130.8° | 35.7° |
| C14 | C13 | C12 | N2 | 51.1° | 143.6° |
| C13 | C14 | H17 | H16 | 117.3° | 119.8° |
| C14 | C13 | H15 | H14 | 116.5° | 120.3° |
| C13 | C14 | C15 | H19 | 70.3° | 116.0° |
| C13 | C14 | C15 | H18 | 171.1° | 3.2° |
| C13 | C12 | C11 | N2 | 178.3° | 179.4° |
| C13 | C12 | C11 | N1 | 176.8° | 178.3° |
| C13 | C12 | N2 | N3 | 179.2° | 178.5° |
| C12 | C13 | C14 | H17 | 61.5° | 14.4° |
| C12 | C13 | C14 | H16 | 179.8° | 105.4° |
| C13 | C12 | C11 | H13 | 3.2° | 1.7° |
| C12 | C13 | H15 | H14 | 116.5° | 120.4° |
| C12 | C11 | N1 | H13 | 180.0° | 180.0° |
| C12 | C11 | N1 | C10 | 178.1° | 178.8° |
| C12 | C11 | N1 | N3 | 4.8° | 1.0° |
| C11 | C12 | N2 | N3 | 2.3° | 0.9° |
| C11 | C12 | C13 | H15 | 108.1° | 84.0° |
| C11 | C12 | C13 | H14 | 9.6° | 155.5° |
| N1 | C11 | C12 | N2 | 1.5° | 1.1° |
| C11 | N1 | C10 | C9 | 65.5° | 37.5° |
| C11 | N1 | C10 | N3 | 172.8° | 179.7° |
| C11 | N1 | N3 | N2 | 6.2° | 0.4° |
| C11 | N1 | C10 | H11 | 55.5° | 157.5° |
| C11 | N1 | C10 | H12 | 173.6° | 82.6° |
| C12 | N2 | N3 | N1 | 5.2° | 0.3° |
| N2 | C12 | C11 | H13 | 178.5° | 178.9° |
| N2 | C12 | C13 | H15 | 70.0° | 96.6° |
| N2 | C12 | C13 | H14 | 172.3° | 23.8° |
| C6 | O3 | C9 | C10 | 107.8° | 173.9° |
| O3 | C6 | C7 | C2 | 179.6° | 179.9° |
| O3 | C6 | C7 | O2 | 4.2° | 0.0° |
| O3 | C6 | C5 | H5 | 2.1° | 0.4° |
| C6 | O3 | C9 | H10 | 132.3° | 66.0° |
| C6 | O3 | C9 | H9 | 12.2° | 53.7° |
| C7 | C6 | O3 | C9 | 150.4° | 122.6° |
| C6 | C7 | C2 | O2 | 175.2° | 180.0° |
| C6 | C7 | C2 | O1 | 176.5° | 179.9° |
| C6 | C7 | O2 | C8 | 106.6° | 90.0° |
| C7 | C6 | C5 | H5 | 174.2° | 179.4° |
| C10 | C9 | O3 | H10 | 119.9° | 120.2° |
| C10 | C9 | O3 | H9 | 119.9° | 120.2° |
| C9 | C10 | N1 | H11 | 121.0° | 120.0° |
| C9 | C10 | N1 | H12 | 121.0° | 120.1° |
| C9 | C10 | N1 | N3 | 107.3° | 142.2° |
| C10 | C9 | H10 | H9 | 120.2° | 119.9° |
| C9 | C10 | H11 | H12 | 117.0° | 120.0° |
| O3 | C9 | C10 | N1 | 62.2° | 128.0° |
| O3 | C9 | H10 | H9 | 120.1° | 119.8° |
| O3 | C9 | C10 | H11 | 176.8° | 112.0° |
| O3 | C9 | C10 | H12 | 58.8° | 8.0° |
| C7 | C2 | O1 | C1 | 172.8° | 180.0° |
| C2 | C7 | O2 | C8 | 78.1° | 90.0° |
| C7 | C2 | C3 | H4 | 175.8° | 180.0° |
| O1 | C2 | C7 | O2 | 1.3° | 0.0° |
| O1 | C2 | C3 | H4 | 1.2° | 0.1° |
| C2 | O1 | C1 | H2 | 180.0° | 180.0° |
| C2 | O1 | C1 | H3 | 60.0° | 60.0° |
| C2 | O1 | C1 | H1 | 60.0° | 60.0° |
| C10 | N1 | N3 | N2 | 179.8° | 179.3° |
| C10 | N1 | C11 | H13 | 1.9° | 1.2° |
| N1 | C10 | C9 | H10 | 177.9° | 111.9° |
| N1 | C10 | C9 | H9 | 57.7° | 7.9° |
| N1 | C10 | H11 | H12 | 116.9° | 119.9° |
| N3 | N1 | C11 | H13 | 175.2° | 179.0° |
| N3 | N1 | C10 | H11 | 131.7° | 22.2° |
| N3 | N1 | C10 | H12 | 13.7° | 97.7° |
| 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° | 59.9° |
| O2 | C8 | H7 | H8 | 120.0° | 120.0° |
| O2 | C8 | H7 | H6 | 120.0° | 120.0° |
| O2 | C8 | H8 | H6 | 120.0° | 119.9° |
| H17 | C14 | C13 | H15 | 59.6° | 105.4° |
| H17 | C14 | C13 | H14 | 177.3° | 134.3° |
| H17 | C14 | C15 | H19 | 50.6° | 123.8° |
| H17 | C14 | C15 | H18 | 68.0° | 116.9° |
| H16 | C14 | C13 | H15 | 58.7° | 134.9° |
| H16 | C14 | C13 | H14 | 59.1° | 14.5° |
| H16 | C14 | C15 | H19 | 168.8° | 4.0° |
| H16 | C14 | C15 | H18 | 50.2° | 123.3° |
| H7 | C8 | H8 | H6 | 120.0° | 120.0° |
| H10 | C9 | C10 | H11 | 56.9° | 8.1° |
| H10 | C9 | C10 | H12 | 61.2° | 128.0° |
| H9 | C9 | C10 | H11 | 63.3° | 127.9° |
| H9 | C9 | C10 | H12 | 178.7° | 112.2° |
| H2 | C1 | H3 | H1 | 120.0° | 120.0° |
| H20 | C17 | C18 | H22 | 46.8° | 164.1° |
| H20 | C17 | C18 | H21 | 71.2° | 43.9° |
| H22 | C18 | C19 | H23 | 173.0° | 66.4° |
| H22 | C18 | C19 | H24 | 52.9° | 174.6° |
| H21 | C18 | C19 | H23 | 55.0° | 53.8° |
| H21 | C18 | C19 | H24 | 65.1° | 65.1° |
| H23 | C19 | C20 | H25 | 54.8° | 25.0° |
| H23 | C19 | C20 | H26 | 173.9° | 93.6° |
| H24 | C19 | C20 | H25 | 65.3° | 144.0° |
| H24 | C19 | C20 | H26 | 53.8° | 25.4° |
| H25 | C20 | C21 | H27 | 50.8° | 31.7° |
| H25 | C20 | C21 | H28 | 68.0° | 87.6° |
| H26 | C20 | C21 | H27 | 169.9° | 150.4° |
| H26 | C20 | C21 | H28 | 51.0° | 31.0° |
| H29 | C23 | C24 | H30 | 171.7° | 63.4° |
| H30 | C24 | C25 | H31 | 63.1° | 60.0° |
| H30 | C24 | C25 | H32 | 177.6° | 180.0° |
| H30 | C24 | C29 | H39 | 55.5° | 180.0° |
| H30 | C24 | C29 | H40 | 174.2° | 59.9° |
| H31 | C25 | C26 | H34 | 54.9° | 60.0° |
| H31 | C25 | C26 | H33 | 64.9° | 60.0° |
| H32 | C25 | C26 | H34 | 64.4° | 180.0° |
| H32 | C25 | C26 | H33 | 175.9° | 60.0° |
| H34 | C26 | C27 | H36 | 56.8° | 60.0° |
| H34 | C26 | C27 | H35 | 63.7° | 180.0° |
| H33 | C26 | C27 | H36 | 176.6° | 60.1° |
| H33 | C26 | C27 | H35 | 56.1° | 59.9° |
| H36 | C27 | C28 | H38 | 51.9° | 60.0° |
| H36 | C27 | C28 | H37 | 170.1° | 60.1° |
| H35 | C27 | C28 | H38 | 68.5° | 180.0° |
| H35 | C27 | C28 | H37 | 49.7° | 60.0° |
| H38 | C28 | C29 | H39 | 68.4° | 180.0° |
| H38 | C28 | C29 | H40 | 50.2° | 59.9° |
| H37 | C28 | C29 | H39 | 49.8° | 60.1° |
| H37 | C28 | C29 | H40 | 168.4° | 60.1° |
