A1INT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C28 | C27 | sing | 1.53Å | 1.50Å | |
| C28 | C29 | sing | 1.53Å | 1.49Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C19 | N4 | sing | 1.46Å | 1.48Å | |
| C19 | C18 | sing | 1.51Å | 1.54Å | |
| N4 | C23 | sing | 1.46Å | 1.50Å | |
| N4 | C24 | sing | 1.35Å | 1.35Å | |
| O6 | C24 | doub | 1.21Å | 1.21Å | |
| C24 | C25 | sing | 1.51Å | 1.50Å | |
| C26 | C25 | sing | 1.53Å | 1.56Å | |
| C26 | C31 | sing | 1.53Å | 1.50Å | |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| C18 | O5 | doub | 1.21Å | 1.19Å | |
| C18 | O4 | sing | 1.34Å | 1.33Å | |
| C25 | C4 | sing | 1.51Å | 1.54Å | |
| O4 | C17 | sing | 1.45Å | 1.48Å | |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C13 | C14 | doub | 1.35Å | 1.38Å | Aromatic |
| C13 | N1 | sing | 1.35Å | 1.33Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.51Å | 1.50Å | |
| C14 | N2 | sing | 1.34Å | 1.36Å | Aromatic |
| C6 | O3 | sing | 1.36Å | 1.37Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | O3 | sing | 1.43Å | 1.44Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C11 | N1 | sing | 1.47Å | 1.48Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| N1 | N3 | sing | 1.29Å | 1.35Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.36Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C7 | O2 | sing | 1.36Å | 1.40Å | |
| N2 | N3 | doub | 1.29Å | 1.33Å | Aromatic |
| O2 | C8 | sing | 1.43Å | 1.44Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| 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 | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | 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 | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | 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 | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | 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 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C30 | H41 | sing | 1.09Å | 1.10Å | |
| C30 | H42 | sing | 1.09Å | 1.10Å | |
| C31 | H44 | sing | 1.09Å | 1.10Å | |
| C31 | H43 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C20 | C19 | 113.4° | 110.0° |
| C20 | C21 | C22 | 109.7° | 109.3° |
| C21 | C20 | H26 | 108.5° | 109.4° |
| C21 | C20 | H25 | 108.5° | 109.4° |
| C20 | C21 | H27 | 109.4° | 109.5° |
| C20 | C21 | H28 | 109.4° | 109.5° |
| C20 | C19 | N4 | 113.0° | 109.7° |
| C20 | C19 | C18 | 106.2° | 109.7° |
| C20 | C19 | H24 | 108.8° | 109.3° |
| C19 | C20 | H26 | 108.5° | 109.4° |
| C19 | C20 | H25 | 108.5° | 109.4° |
| C27 | C28 | C29 | 116.0° | 109.5° |
| C28 | C27 | C26 | 112.0° | 109.4° |
| C28 | C27 | H36 | 108.9° | 109.5° |
| C28 | C27 | H35 | 108.8° | 109.5° |
| C27 | C28 | H37 | 107.8° | 109.5° |
| C27 | C28 | H38 | 107.8° | 109.5° |
| C28 | C29 | C30 | 106.1° | 109.4° |
| C29 | C28 | H37 | 107.8° | 109.5° |
| C29 | C28 | H38 | 107.8° | 109.5° |
| C28 | C29 | H39 | 110.3° | 109.5° |
| C28 | C29 | H40 | 110.3° | 109.5° |
| C27 | C26 | C25 | 110.7° | 109.4° |
| C27 | C26 | C31 | 108.3° | 109.5° |
| C27 | C26 | H34 | 106.8° | 109.5° |
| C26 | C27 | H36 | 108.8° | 109.5° |
| C26 | C27 | H35 | 108.8° | 109.5° |
| C21 | C22 | C23 | 112.6° | 109.2° |
| C22 | C21 | H27 | 109.4° | 109.5° |
| C22 | C21 | H28 | 109.4° | 109.5° |
| C21 | C22 | H29 | 108.7° | 109.5° |
| C21 | C22 | H30 | 108.7° | 109.5° |
| C22 | C23 | N4 | 113.7° | 109.7° |
| C23 | C22 | H29 | 108.7° | 109.5° |
| C23 | C22 | H30 | 108.7° | 109.5° |
| C22 | C23 | H31 | 108.4° | 109.4° |
| C22 | C23 | H32 | 108.4° | 109.4° |
| C29 | C30 | C31 | 109.4° | 109.5° |
| C30 | C29 | H39 | 110.3° | 109.5° |
| C30 | C29 | H40 | 110.3° | 109.5° |
| C29 | C30 | H41 | 109.5° | 109.4° |
| C29 | C30 | H42 | 109.5° | 109.5° |
| N4 | C19 | C18 | 110.8° | 109.7° |
| C19 | N4 | C23 | 117.7° | 120.1° |
| C19 | N4 | C24 | 118.9° | 119.9° |
| N4 | C19 | H24 | 109.3° | 109.4° |
| C19 | C18 | O5 | 126.7° | 119.5° |
| C19 | C18 | O4 | 109.2° | 120.3° |
| C18 | C19 | H24 | 108.6° | 109.1° |
| C23 | N4 | C24 | 122.0° | 120.0° |
| N4 | C23 | H31 | 108.4° | 109.4° |
| N4 | C23 | H32 | 108.4° | 109.4° |
| N4 | C24 | O6 | 118.8° | 120.1° |
| N4 | C24 | C25 | 120.1° | 119.9° |
| O6 | C24 | C25 | 121.0° | 120.0° |
| C24 | C25 | C26 | 113.2° | 109.4° |
| C24 | C25 | C4 | 108.4° | 109.8° |
| C24 | C25 | H33 | 108.4° | 109.4° |
| C25 | C26 | C31 | 116.7° | 109.5° |
| C26 | C25 | C4 | 111.0° | 109.4° |
| C26 | C25 | H33 | 107.7° | 109.4° |
| C25 | C26 | H34 | 106.7° | 109.5° |
| C26 | C31 | C30 | 114.9° | 109.5° |
| C31 | C26 | H34 | 107.2° | 109.5° |
| C26 | C31 | H44 | 108.1° | 109.5° |
| C26 | C31 | H43 | 108.1° | 109.5° |
| C31 | C30 | H41 | 109.5° | 109.5° |
| C31 | C30 | H42 | 109.5° | 109.5° |
| C30 | C31 | H44 | 108.1° | 109.5° |
| C30 | C31 | H43 | 108.1° | 109.5° |
| O5 | C18 | O4 | 124.1° | 120.1° |
| C18 | O4 | C17 | 117.8° | 118.1° |
| C25 | C4 | C5 | 120.0° | 120.1° |
| C25 | C4 | C3 | 118.9° | 119.8° |
| C4 | C25 | H33 | 108.0° | 109.4° |
| O4 | C17 | C16 | 110.2° | 109.2° |
| O4 | C17 | H23 | 109.3° | 109.6° |
| O4 | C17 | H22 | 109.3° | 109.6° |
| C5 | C4 | C3 | 120.8° | 120.2° |
| C4 | C5 | C6 | 119.7° | 120.1° |
| C4 | C5 | H5 | 120.1° | 120.0° |
| C4 | C3 | C2 | 119.2° | 120.1° |
| C4 | C3 | H4 | 120.4° | 120.0° |
| C5 | C6 | O3 | 126.8° | 120.2° |
| C5 | C6 | C7 | 120.0° | 119.9° |
| C6 | C5 | H5 | 120.1° | 119.9° |
| C3 | C2 | C7 | 119.0° | 119.9° |
| C3 | C2 | O1 | 127.0° | 120.1° |
| C2 | C3 | H4 | 120.4° | 120.0° |
| C17 | C16 | C15 | 113.6° | 109.5° |
| C17 | C16 | H21 | 108.5° | 109.5° |
| C17 | C16 | H20 | 108.5° | 109.5° |
| C16 | C17 | H23 | 109.3° | 109.5° |
| C16 | C17 | H22 | 109.3° | 109.4° |
| C14 | C13 | N1 | 106.1° | 106.1° |
| C13 | C14 | C15 | 131.9° | 126.8° |
| C13 | C14 | N2 | 107.0° | 106.5° |
| C14 | C13 | H17 | 127.0° | 126.9° |
| C13 | N1 | C11 | 129.4° | 125.6° |
| C13 | N1 | N3 | 110.9° | 108.4° |
| N1 | C13 | H17 | 127.0° | 126.9° |
| C16 | C15 | C14 | 111.0° | 109.5° |
| C16 | C15 | H19 | 109.1° | 109.5° |
| C16 | C15 | H18 | 109.1° | 109.5° |
| C15 | C16 | H21 | 108.4° | 109.4° |
| C15 | C16 | H20 | 108.4° | 109.5° |
| C15 | C14 | N2 | 120.9° | 126.8° |
| C14 | C15 | H19 | 109.1° | 109.5° |
| C14 | C15 | H18 | 109.1° | 109.4° |
| C14 | N2 | N3 | 109.7° | 108.9° |
| O3 | C6 | C7 | 112.9° | 119.9° |
| C6 | O3 | C9 | 117.7° | 117.5° |
| C6 | C7 | C2 | 120.7° | 119.8° |
| C6 | C7 | O2 | 118.5° | 120.1° |
| O3 | C9 | C10 | 110.6° | 109.6° |
| O3 | C9 | H9 | 109.2° | 109.5° |
| O3 | C9 | H10 | 109.2° | 109.5° |
| C9 | C10 | C11 | 114.1° | 109.6° |
| C10 | C9 | H9 | 109.2° | 109.5° |
| C10 | C9 | H10 | 109.2° | 109.4° |
| C9 | C10 | H11 | 108.3° | 109.5° |
| C9 | C10 | H12 | 108.3° | 109.4° |
| N1 | C11 | C10 | 106.6° | 109.4° |
| N1 | C11 | C12 | 111.6° | 109.5° |
| C11 | N1 | N3 | 119.1° | 126.0° |
| N1 | C11 | H13 | 107.9° | 109.5° |
| C10 | C11 | C12 | 115.5° | 109.5° |
| C10 | C11 | H13 | 107.5° | 109.5° |
| C11 | C10 | H11 | 108.3° | 109.5° |
| C11 | C10 | H12 | 108.3° | 109.5° |
| C12 | C11 | H13 | 107.4° | 109.5° |
| C11 | C12 | H15 | 109.5° | 109.5° |
| C11 | C12 | H16 | 109.5° | 109.5° |
| C11 | C12 | H14 | 109.4° | 109.5° |
| N1 | N3 | N2 | 106.2° | 110.1° |
| C7 | C2 | O1 | 113.2° | 120.0° |
| C2 | C7 | O2 | 120.6° | 120.1° |
| C2 | O1 | C1 | 116.9° | 117.0° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| C7 | O2 | C8 | 111.5° | 117.0° |
| O2 | C8 | H7 | 109.5° | 109.5° |
| O2 | C8 | H8 | 109.5° | 109.5° |
| O2 | C8 | H6 | 109.4° | 109.5° |
| H7 | C8 | H8 | 109.4° | 109.4° |
| H7 | C8 | H6 | 109.5° | 109.5° |
| H8 | C8 | H6 | 109.5° | 109.4° |
| H9 | C9 | H10 | 109.5° | 109.4° |
| H11 | C10 | H12 | 109.5° | 109.4° |
| H15 | C12 | H16 | 109.4° | 109.4° |
| H15 | C12 | H14 | 109.5° | 109.4° |
| H16 | C12 | H14 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.4° |
| H19 | C15 | H18 | 109.4° | 109.4° |
| H21 | C16 | H20 | 109.5° | 109.5° |
| H23 | C17 | H22 | 109.5° | 109.5° |
| H26 | C20 | H25 | 109.5° | 109.3° |
| H27 | C21 | H28 | 109.5° | 109.5° |
| H29 | C22 | H30 | 109.4° | 109.6° |
| H31 | C23 | H32 | 109.5° | 109.5° |
| H36 | C27 | H35 | 109.5° | 109.5° |
| H37 | C28 | H38 | 109.5° | 109.5° |
| H39 | C29 | H40 | 109.5° | 109.5° |
| H41 | C30 | H42 | 109.5° | 109.5° |
| H44 | C31 | H43 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C20 | C19 | H26 | 120.6° | 120.1° |
| C21 | C20 | C19 | H25 | 120.6° | 120.2° |
| C20 | C21 | C22 | H27 | 120.0° | 119.9° |
| C20 | C21 | C22 | H28 | 120.0° | 120.0° |
| C20 | C21 | C22 | C23 | 55.6° | 61.8° |
| C21 | C20 | C19 | N4 | 48.6° | 52.2° |
| C21 | C20 | C19 | C18 | 73.1° | 68.3° |
| C21 | C20 | C19 | H24 | 170.1° | 172.1° |
| C21 | C20 | H26 | H25 | 118.2° | 119.8° |
| C20 | C21 | H27 | H28 | 119.9° | 120.1° |
| C20 | C21 | C22 | H29 | 176.1° | 178.3° |
| C20 | C21 | C22 | H30 | 64.9° | 58.1° |
| C19 | C20 | C21 | C22 | 56.1° | 61.3° |
| C20 | C19 | N4 | C18 | 119.1° | 120.6° |
| C20 | C19 | N4 | H24 | 121.2° | 119.8° |
| C20 | C19 | C18 | H24 | 116.8° | 119.7° |
| C20 | C19 | N4 | C23 | 40.4° | 49.0° |
| C20 | C19 | N4 | C24 | 153.2° | 131.2° |
| C20 | C19 | C18 | O5 | 61.2° | 42.3° |
| C20 | C19 | C18 | O4 | 117.2° | 137.9° |
| C19 | C20 | H26 | H25 | 118.2° | 119.7° |
| C19 | C20 | C21 | H27 | 63.9° | 58.6° |
| C19 | C20 | C21 | H28 | 176.1° | 178.7° |
| C27 | C28 | C29 | H37 | 121.0° | 120.0° |
| C27 | C28 | C29 | H38 | 121.0° | 120.0° |
| C28 | C27 | C26 | H36 | 120.4° | 120.0° |
| C28 | C27 | C26 | H35 | 120.4° | 120.0° |
| C27 | C28 | C29 | C30 | 59.5° | 60.0° |
| C28 | C27 | C26 | C25 | 177.5° | 180.0° |
| C28 | C27 | C26 | C31 | 48.4° | 60.0° |
| C28 | C27 | C26 | H34 | 66.8° | 60.0° |
| C28 | C27 | H36 | H35 | 118.8° | 120.0° |
| C27 | C28 | H37 | H38 | 117.0° | 120.0° |
| C27 | C28 | C29 | H39 | 59.9° | 60.0° |
| C27 | C28 | C29 | H40 | 179.0° | 180.0° |
| C29 | C28 | C27 | C26 | 56.3° | 60.0° |
| C28 | C29 | C30 | H39 | 119.4° | 120.0° |
| C28 | C29 | C30 | H40 | 119.5° | 120.0° |
| C28 | C29 | C30 | C31 | 57.7° | 60.0° |
| C29 | C28 | C27 | H36 | 176.7° | 60.0° |
| C29 | C28 | C27 | H35 | 64.1° | 180.0° |
| C29 | C28 | H37 | H38 | 117.0° | 120.0° |
| C28 | C29 | H39 | H40 | 121.6° | 120.0° |
| C28 | C29 | C30 | H41 | 177.6° | 180.0° |
| C28 | C29 | C30 | H42 | 62.3° | 60.0° |
| C27 | C26 | C25 | C24 | 64.3° | 58.8° |
| C27 | C26 | C25 | C31 | 124.4° | 120.0° |
| C27 | C26 | C25 | H34 | 115.8° | 120.0° |
| C27 | C26 | C31 | H34 | 114.9° | 120.0° |
| C27 | C26 | C31 | C30 | 52.3° | 60.0° |
| C27 | C26 | C25 | C4 | 173.6° | 61.6° |
| C27 | C26 | C25 | H33 | 55.6° | 178.6° |
| C26 | C27 | H36 | H35 | 118.8° | 120.0° |
| C26 | C27 | C28 | H37 | 177.2° | 180.0° |
| C26 | C27 | C28 | H38 | 64.7° | 60.0° |
| C27 | C26 | C31 | H44 | 173.1° | 180.0° |
| C27 | C26 | C31 | H43 | 68.5° | 60.0° |
| C21 | C22 | C23 | H29 | 120.5° | 119.9° |
| C21 | C22 | C23 | H30 | 120.5° | 119.9° |
| C21 | C22 | C23 | N4 | 47.7° | 53.6° |
| C22 | C21 | C20 | H26 | 64.5° | 178.5° |
| C22 | C21 | C20 | H25 | 176.7° | 58.8° |
| C22 | C21 | H27 | H28 | 119.9° | 120.1° |
| C21 | C22 | H29 | H30 | 118.5° | 120.1° |
| C21 | C22 | C23 | H31 | 72.9° | 66.5° |
| C21 | C22 | C23 | H32 | 168.3° | 173.6° |
| C22 | C23 | N4 | C19 | 40.7° | 49.9° |
| C22 | C23 | N4 | H31 | 120.6° | 120.0° |
| C22 | C23 | N4 | H32 | 120.7° | 120.0° |
| C22 | C23 | N4 | C24 | 153.3° | 130.4° |
| C23 | C22 | C21 | H27 | 64.4° | 58.1° |
| C23 | C22 | C21 | H28 | 175.6° | 178.2° |
| C23 | C22 | H29 | H30 | 118.6° | 120.2° |
| C22 | C23 | H31 | H32 | 118.1° | 119.9° |
| C29 | C30 | C31 | C26 | 59.2° | 60.0° |
| C29 | C30 | C31 | H41 | 120.0° | 120.0° |
| C29 | C30 | C31 | H42 | 120.0° | 120.0° |
| C30 | C29 | C28 | H37 | 179.5° | 180.0° |
| C30 | C29 | C28 | H38 | 61.5° | 60.0° |
| C30 | C29 | H39 | H40 | 121.6° | 120.0° |
| C29 | C30 | H41 | H42 | 120.0° | 120.0° |
| C29 | C30 | C31 | H44 | 180.0° | 180.0° |
| C29 | C30 | C31 | H43 | 61.7° | 60.0° |
| N4 | C19 | C18 | H24 | 120.1° | 119.7° |
| C19 | N4 | C23 | C24 | 166.0° | 179.8° |
| C19 | N4 | C24 | O6 | 5.1° | 0.4° |
| C19 | N4 | C24 | C25 | 172.8° | 179.6° |
| N4 | C19 | C18 | O5 | 175.7° | 78.2° |
| N4 | C19 | C18 | O4 | 5.9° | 101.6° |
| N4 | C19 | C20 | H26 | 72.0° | 172.3° |
| N4 | C19 | C20 | H25 | 169.2° | 68.0° |
| C19 | N4 | C23 | H31 | 79.9° | 70.1° |
| C19 | N4 | C23 | H32 | 161.3° | 169.9° |
| C18 | C19 | N4 | C23 | 78.7° | 71.6° |
| C18 | C19 | N4 | C24 | 87.7° | 108.2° |
| C19 | C18 | O5 | O4 | 178.2° | 179.8° |
| C19 | C18 | O4 | C17 | 177.4° | 178.4° |
| C18 | C19 | C20 | H26 | 166.3° | 51.8° |
| C18 | C19 | C20 | H25 | 47.4° | 171.5° |
| C23 | N4 | C24 | O6 | 171.0° | 179.4° |
| C23 | N4 | C24 | C25 | 6.9° | 0.7° |
| C23 | N4 | C19 | H24 | 161.6° | 168.8° |
| N4 | C23 | C22 | H29 | 168.1° | 173.5° |
| N4 | C23 | C22 | H30 | 72.8° | 66.3° |
| N4 | C23 | H31 | H32 | 118.0° | 119.9° |
| N4 | C24 | O6 | C25 | 177.9° | 180.0° |
| N4 | C24 | C25 | C26 | 150.3° | 91.4° |
| N4 | C24 | C25 | C4 | 86.1° | 148.5° |
| C24 | N4 | C19 | H24 | 31.9° | 11.4° |
| C24 | N4 | C23 | H31 | 86.1° | 109.6° |
| C24 | N4 | C23 | H32 | 32.6° | 10.3° |
| N4 | C24 | C25 | H33 | 30.8° | 28.4° |
| O6 | C24 | C25 | C26 | 31.8° | 88.6° |
| O6 | C24 | C25 | C4 | 91.7° | 31.5° |
| O6 | C24 | C25 | H33 | 151.3° | 151.6° |
| C24 | C25 | C26 | C4 | 122.1° | 120.4° |
| C24 | C25 | C26 | H33 | 119.9° | 119.8° |
| C24 | C25 | C26 | C31 | 171.3° | 61.2° |
| C24 | C25 | C4 | H33 | 117.3° | 120.1° |
| C24 | C25 | C4 | C5 | 127.0° | 20.1° |
| C24 | C25 | C4 | C3 | 58.8° | 159.7° |
| C24 | C25 | C26 | H34 | 51.6° | 178.8° |
| C25 | C26 | C31 | H34 | 119.4° | 120.0° |
| C25 | C26 | C31 | C30 | 177.9° | 180.0° |
| C26 | C25 | C4 | H33 | 117.9° | 119.8° |
| C26 | C25 | C4 | C5 | 108.2° | 140.2° |
| C26 | C25 | C4 | C3 | 66.1° | 39.6° |
| C25 | C26 | C27 | H36 | 62.1° | 60.0° |
| C25 | C26 | C27 | H35 | 57.1° | 60.0° |
| C25 | C26 | C31 | H44 | 61.3° | 60.0° |
| C25 | C26 | C31 | H43 | 57.1° | 60.0° |
| C26 | C31 | C30 | H44 | 120.8° | 120.1° |
| C26 | C31 | C30 | H43 | 120.8° | 120.0° |
| C31 | C26 | C25 | C4 | 49.2° | 178.4° |
| C31 | C26 | C25 | H33 | 68.8° | 58.6° |
| C31 | C26 | C27 | H36 | 168.8° | 60.0° |
| C31 | C26 | C27 | H35 | 71.9° | 180.0° |
| C26 | C31 | C30 | H41 | 179.1° | 179.9° |
| C26 | C31 | C30 | H42 | 60.8° | 60.0° |
| C26 | C31 | H44 | H43 | 117.5° | 120.0° |
| C30 | C31 | C26 | H34 | 62.7° | 60.0° |
| C31 | C30 | C29 | H39 | 61.8° | 60.0° |
| C31 | C30 | C29 | H40 | 177.1° | 180.0° |
| C31 | C30 | H41 | H42 | 120.0° | 120.0° |
| C30 | C31 | H44 | H43 | 117.5° | 120.0° |
| O5 | C18 | O4 | C17 | 1.0° | 1.8° |
| O5 | C18 | C19 | H24 | 55.6° | 162.0° |
| C18 | O4 | C17 | C16 | 157.0° | 143.8° |
| C18 | O4 | C17 | H23 | 82.9° | 96.2° |
| C18 | O4 | C17 | H22 | 36.9° | 24.0° |
| O4 | C18 | C19 | H24 | 126.0° | 18.2° |
| C25 | C4 | C5 | C3 | 174.1° | 179.8° |
| C25 | C4 | C5 | C6 | 179.2° | 179.8° |
| C25 | C4 | C3 | C2 | 179.4° | 179.9° |
| C25 | C4 | C5 | H5 | 0.8° | 0.2° |
| C25 | C4 | C3 | H4 | 0.6° | 0.1° |
| C4 | C25 | C26 | H34 | 70.5° | 58.4° |
| O4 | C17 | C16 | H23 | 120.1° | 120.0° |
| O4 | C17 | C16 | H22 | 120.1° | 119.9° |
| O4 | C17 | C16 | C15 | 65.5° | 148.1° |
| O4 | C17 | C16 | H21 | 55.1° | 92.0° |
| O4 | C17 | C16 | H20 | 173.9° | 28.0° |
| O4 | C17 | H23 | H22 | 119.6° | 120.2° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 6.4° | 0.1° |
| C4 | C5 | C6 | O3 | 179.5° | 179.9° |
| C4 | C5 | C6 | C7 | 6.6° | 0.2° |
| C5 | C4 | C3 | H4 | 173.6° | 179.9° |
| C5 | C4 | C25 | H33 | 9.7° | 100.0° |
| C3 | C4 | C5 | C6 | 6.7° | 0.0° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | C7 | 5.9° | 0.1° |
| C4 | C3 | C2 | O1 | 174.9° | 180.0° |
| C3 | C4 | C5 | H5 | 173.3° | 180.0° |
| C3 | C4 | C25 | H33 | 176.1° | 80.2° |
| C5 | C6 | O3 | C7 | 173.3° | 179.9° |
| C5 | C6 | O3 | C9 | 6.1° | 42.6° |
| C5 | C6 | C7 | C2 | 6.3° | 0.2° |
| C5 | C6 | C7 | O2 | 168.9° | 179.8° |
| C3 | C2 | C7 | C6 | 5.9° | 0.0° |
| C3 | C2 | C7 | O1 | 170.4° | 179.9° |
| C3 | C2 | O1 | C1 | 15.8° | 0.1° |
| C3 | C2 | C7 | O2 | 169.2° | 180.0° |
| C17 | C16 | C15 | H21 | 120.6° | 120.0° |
| C17 | C16 | C15 | H20 | 120.6° | 120.0° |
| C17 | C16 | C15 | C14 | 154.5° | 93.8° |
| C17 | C16 | C15 | H19 | 85.2° | 26.2° |
| C17 | C16 | C15 | H18 | 34.3° | 146.2° |
| C17 | C16 | H21 | H20 | 118.2° | 120.0° |
| C16 | C17 | H23 | H22 | 119.7° | 120.0° |
| C14 | C13 | N1 | H17 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 119.0° | 40.2° |
| C13 | C14 | C15 | N2 | 175.3° | 179.7° |
| C14 | C13 | N1 | C11 | 172.3° | 179.7° |
| C14 | C13 | N1 | N3 | 1.4° | 0.2° |
| C13 | C14 | N2 | N3 | 1.1° | 0.0° |
| C13 | C14 | C15 | H19 | 120.8° | 79.8° |
| C13 | C14 | C15 | H18 | 1.2° | 160.2° |
| N1 | C13 | C14 | C15 | 175.5° | 179.9° |
| N1 | C13 | C14 | N2 | 0.2° | 0.1° |
| C13 | N1 | C11 | N3 | 170.2° | 179.8° |
| C13 | N1 | C11 | C10 | 102.9° | 39.5° |
| C13 | N1 | C11 | C12 | 130.1° | 159.5° |
| C13 | N1 | N3 | N2 | 2.1° | 0.2° |
| C13 | N1 | C11 | H13 | 12.3° | 80.5° |
| C16 | C15 | C14 | H19 | 120.2° | 120.1° |
| C16 | C15 | C14 | H18 | 120.2° | 120.0° |
| C16 | C15 | C14 | N2 | 65.7° | 140.0° |
| C16 | C15 | H19 | H18 | 119.3° | 120.0° |
| C15 | C16 | H21 | H20 | 118.1° | 120.0° |
| C15 | C16 | C17 | H23 | 174.4° | 28.1° |
| C15 | C16 | C17 | H22 | 54.6° | 92.0° |
| C15 | C14 | N2 | N3 | 177.4° | 179.7° |
| C15 | C14 | C13 | H17 | 4.5° | 0.1° |
| C14 | C15 | H19 | H18 | 119.3° | 119.9° |
| C14 | C15 | C16 | H21 | 33.9° | 146.2° |
| C14 | C15 | C16 | H20 | 84.8° | 26.2° |
| C14 | N2 | N3 | N1 | 1.9° | 0.2° |
| N2 | C14 | C13 | H17 | 179.8° | 179.9° |
| N2 | C14 | C15 | H19 | 54.5° | 99.9° |
| N2 | C14 | C15 | H18 | 174.0° | 20.0° |
| C6 | O3 | C9 | C10 | 156.3° | 151.4° |
| O3 | C6 | C7 | C2 | 179.9° | 179.9° |
| O3 | C6 | C7 | O2 | 4.9° | 0.1° |
| O3 | C6 | C5 | H5 | 0.5° | 0.0° |
| C6 | O3 | C9 | H9 | 36.2° | 88.6° |
| C6 | O3 | C9 | H10 | 83.5° | 31.3° |
| C7 | C6 | O3 | C9 | 167.2° | 137.4° |
| C6 | C7 | C2 | O2 | 175.1° | 180.0° |
| C6 | C7 | C2 | O1 | 176.4° | 179.8° |
| C6 | C7 | O2 | C8 | 91.2° | 90.0° |
| C7 | C6 | C5 | H5 | 173.4° | 179.9° |
| O3 | C9 | C10 | H9 | 120.2° | 120.1° |
| O3 | C9 | C10 | H10 | 120.2° | 120.1° |
| O3 | C9 | C10 | C11 | 96.6° | 136.9° |
| O3 | C9 | H9 | H10 | 119.5° | 120.0° |
| O3 | C9 | C10 | H11 | 142.8° | 103.1° |
| O3 | C9 | C10 | H12 | 24.1° | 16.9° |
| C9 | C10 | C11 | N1 | 57.6° | 109.2° |
| C9 | C10 | C11 | H11 | 120.7° | 120.1° |
| C9 | C10 | C11 | H12 | 120.7° | 120.0° |
| C9 | C10 | C11 | C12 | 177.7° | 130.8° |
| C9 | C10 | C11 | H13 | 57.9° | 10.8° |
| C10 | C9 | H9 | H10 | 119.5° | 119.9° |
| C9 | C10 | H11 | H12 | 117.9° | 119.9° |
| N1 | C11 | C10 | C12 | 124.7° | 119.9° |
| N1 | C11 | C10 | H13 | 115.5° | 120.0° |
| N1 | C11 | C12 | H13 | 118.1° | 120.0° |
| C11 | N1 | N3 | N2 | 174.0° | 179.6° |
| N1 | C11 | C10 | H11 | 178.3° | 10.9° |
| N1 | C11 | C10 | H12 | 63.1° | 130.8° |
| N1 | C11 | C12 | H15 | 180.0° | 60.0° |
| N1 | C11 | C12 | H16 | 60.0° | 180.0° |
| N1 | C11 | C12 | H14 | 60.0° | 60.0° |
| C11 | N1 | C13 | H17 | 7.7° | 0.3° |
| C10 | C11 | C12 | H13 | 119.9° | 120.1° |
| C10 | C11 | N1 | N3 | 67.3° | 140.3° |
| C11 | C10 | C9 | H9 | 23.6° | 16.8° |
| C11 | C10 | C9 | H10 | 143.3° | 103.1° |
| C11 | C10 | H11 | H12 | 117.9° | 119.9° |
| C10 | C11 | C12 | H15 | 58.0° | 179.9° |
| C10 | C11 | C12 | H16 | 62.0° | 60.1° |
| C10 | C11 | C12 | H14 | 178.0° | 59.9° |
| C12 | C11 | N1 | N3 | 59.7° | 20.3° |
| C12 | C11 | C10 | H11 | 57.1° | 109.1° |
| C12 | C11 | C10 | H12 | 61.6° | 10.9° |
| C11 | C12 | H15 | H16 | 120.0° | 120.0° |
| C11 | C12 | H15 | H14 | 120.0° | 120.1° |
| C11 | C12 | H16 | H14 | 120.0° | 120.1° |
| N3 | N1 | C11 | H13 | 177.5° | 99.7° |
| N3 | N1 | C13 | H17 | 178.6° | 179.8° |
| C7 | C2 | O1 | C1 | 174.7° | 179.9° |
| C2 | C7 | O2 | C8 | 93.6° | 90.0° |
| C7 | C2 | C3 | H4 | 174.1° | 179.9° |
| O1 | C2 | C7 | O2 | 1.3° | 0.2° |
| O1 | C2 | C3 | H4 | 5.1° | 0.0° |
| C2 | O1 | C1 | H2 | 180.0° | 179.9° |
| C2 | O1 | C1 | H3 | 60.0° | 59.9° |
| C2 | O1 | C1 | H1 | 60.0° | 60.0° |
| O1 | C1 | H2 | H3 | 120.0° | 120.1° |
| O1 | C1 | H2 | H1 | 120.0° | 120.1° |
| O1 | C1 | H3 | H1 | 120.0° | 120.0° |
| C7 | O2 | C8 | H7 | 180.0° | 60.0° |
| C7 | O2 | C8 | H8 | 60.0° | 180.0° |
| C7 | O2 | C8 | H6 | 60.0° | 60.1° |
| O2 | C8 | H7 | H8 | 120.0° | 120.0° |
| O2 | C8 | H7 | H6 | 120.0° | 120.0° |
| O2 | C8 | H8 | H6 | 120.0° | 120.0° |
| H13 | C11 | C10 | H11 | 62.8° | 130.9° |
| H13 | C11 | C10 | H12 | 178.6° | 109.2° |
| H13 | C11 | C12 | H15 | 61.9° | 60.0° |
| H13 | C11 | C12 | H16 | 178.1° | 60.0° |
| H13 | C11 | C12 | H14 | 58.1° | 180.0° |
| H7 | C8 | H8 | H6 | 120.0° | 120.0° |
| H9 | C9 | C10 | H11 | 97.1° | 136.8° |
| H9 | C9 | C10 | H12 | 144.3° | 103.2° |
| H10 | C9 | C10 | H11 | 22.6° | 17.0° |
| H10 | C9 | C10 | H12 | 96.1° | 136.9° |
| H15 | C12 | H16 | H14 | 120.0° | 119.9° |
| H2 | C1 | H3 | H1 | 120.0° | 119.9° |
| H19 | C15 | C16 | H21 | 154.2° | 93.8° |
| H19 | C15 | C16 | H20 | 35.4° | 146.2° |
| H18 | C15 | C16 | H21 | 86.3° | 26.2° |
| H18 | C15 | C16 | H20 | 154.9° | 93.8° |
| H21 | C16 | C17 | H23 | 65.0° | 148.1° |
| H21 | C16 | C17 | H22 | 175.2° | 28.0° |
| H20 | C16 | C17 | H23 | 53.8° | 91.9° |
| H20 | C16 | C17 | H22 | 66.0° | 148.0° |
| H24 | C19 | C20 | H26 | 49.5° | 67.8° |
| H24 | C19 | C20 | H25 | 69.3° | 51.9° |
| H26 | C20 | C21 | H27 | 175.5° | 61.6° |
| H26 | C20 | C21 | H28 | 55.5° | 58.5° |
| H25 | C20 | C21 | H27 | 56.6° | 178.7° |
| H25 | C20 | C21 | H28 | 63.3° | 61.2° |
| H27 | C21 | C22 | H29 | 56.1° | 61.8° |
| H27 | C21 | C22 | H30 | 175.1° | 178.0° |
| H28 | C21 | C22 | H29 | 63.9° | 58.3° |
| H28 | C21 | C22 | H30 | 55.1° | 61.9° |
| H29 | C22 | C23 | H31 | 47.5° | 53.5° |
| H29 | C22 | C23 | H32 | 71.2° | 66.5° |
| H30 | C22 | C23 | H31 | 166.6° | 173.6° |
| H30 | C22 | C23 | H32 | 47.8° | 53.7° |
| H33 | C25 | C26 | H34 | 171.5° | 61.4° |
| H34 | C26 | C27 | H36 | 53.6° | NaN° |
| H34 | C26 | C27 | H35 | 172.9° | 60.0° |
| H34 | C26 | C31 | H44 | 58.1° | 60.0° |
| H34 | C26 | C31 | H43 | 176.5° | 180.0° |
| H36 | C27 | C28 | H37 | 62.4° | 60.0° |
| H36 | C27 | C28 | H38 | 55.7° | NaN° |
| H35 | C27 | C28 | H37 | 56.9° | 60.0° |
| H35 | C27 | C28 | H38 | 175.0° | 60.0° |
| H37 | C28 | C29 | H39 | 61.0° | 60.0° |
| H37 | C28 | C29 | H40 | 60.1° | 60.0° |
| H38 | C28 | C29 | H39 | 179.1° | 180.0° |
| H38 | C28 | C29 | H40 | 58.0° | 60.0° |
| H39 | C29 | C30 | H41 | 58.2° | 60.0° |
| H39 | C29 | C30 | H42 | 178.2° | NaN° |
| H40 | C29 | C30 | H41 | 62.9° | 60.0° |
| H40 | C29 | C30 | H42 | 57.2° | 60.0° |
| H41 | C30 | C31 | H44 | 60.1° | 60.0° |
| H41 | C30 | C31 | H43 | 58.3° | 60.0° |
| H42 | C30 | C31 | H44 | 60.0° | 60.0° |
| H42 | C30 | C31 | H43 | 178.4° | 180.0° |
