A1INZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | C19 | sing | 1.53Å | 1.50Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| C19 | N4 | sing | 1.46Å | 1.47Å | |
| C19 | C18 | sing | 1.51Å | 1.52Å | |
| N4 | C23 | sing | 1.46Å | 1.47Å | |
| N4 | C24 | sing | 1.35Å | 1.35Å | |
| O6 | C24 | doub | 1.21Å | 1.21Å | |
| C24 | C25 | sing | 1.51Å | 1.55Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C26 | C31 | sing | 1.53Å | 1.54Å | |
| O5 | C18 | doub | 1.21Å | 1.20Å | |
| C18 | O4 | sing | 1.34Å | 1.35Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C25 | C4 | sing | 1.51Å | 1.53Å | |
| O4 | C17 | sing | 1.45Å | 1.43Å | |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C15 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.50Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C2 | O1 | sing | 1.36Å | 1.36Å | |
| C2 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | O3 | sing | 1.36Å | 1.38Å | |
| C9 | O3 | sing | 1.43Å | 1.44Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C7 | O2 | sing | 1.36Å | 1.38Å | |
| C14 | C13 | sing | 1.51Å | 1.49Å | |
| C13 | N2 | sing | 1.34Å | 1.37Å | Aromatic |
| C13 | C12 | doub | 1.35Å | 1.37Å | Aromatic |
| N2 | N3 | doub | 1.29Å | 1.30Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C12 | N1 | sing | 1.35Å | 1.34Å | Aromatic |
| O2 | C8 | sing | 1.43Å | 1.41Å | |
| N3 | N1 | sing | 1.29Å | 1.34Å | Aromatic |
| N1 | C11 | sing | 1.46Å | 1.46Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | 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 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | 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 | 112.2° | 109.9° |
| C20 | C21 | C22 | 109.1° | 109.3° |
| C21 | C20 | H26 | 108.8° | 109.4° |
| C21 | C20 | H25 | 108.8° | 109.4° |
| C20 | C21 | H27 | 109.6° | 109.5° |
| C20 | C21 | H28 | 109.6° | 109.5° |
| C20 | C19 | N4 | 110.9° | 109.7° |
| C20 | C19 | C18 | 107.1° | 109.9° |
| C20 | C19 | H24 | 108.4° | 109.1° |
| C19 | C20 | H26 | 108.8° | 109.4° |
| C19 | C20 | H25 | 108.8° | 109.4° |
| C27 | C28 | C29 | 111.4° | 109.4° |
| C28 | C27 | C26 | 110.2° | 109.5° |
| C28 | C27 | H36 | 109.3° | 109.5° |
| C28 | C27 | H35 | 109.3° | 109.4° |
| C27 | C28 | H37 | 109.0° | 109.5° |
| C27 | C28 | H38 | 109.0° | 109.5° |
| C28 | C29 | C30 | 111.4° | 109.5° |
| C29 | C28 | H37 | 109.0° | 109.4° |
| C29 | C28 | H38 | 109.0° | 109.5° |
| C28 | C29 | H39 | 109.0° | 109.5° |
| C28 | C29 | H40 | 109.0° | 109.4° |
| C27 | C26 | C25 | 111.3° | 109.5° |
| C27 | C26 | C31 | 110.0° | 109.5° |
| C27 | C26 | H34 | 108.0° | 109.5° |
| C26 | C27 | H36 | 109.3° | 109.5° |
| C26 | C27 | H35 | 109.3° | 109.5° |
| C21 | C22 | C23 | 109.6° | 109.1° |
| C22 | C21 | H27 | 109.5° | 109.5° |
| C22 | C21 | H28 | 109.6° | 109.5° |
| C21 | C22 | H29 | 109.4° | 109.5° |
| C21 | C22 | H30 | 109.4° | 109.5° |
| C29 | C30 | C31 | 110.0° | 109.5° |
| C30 | C29 | H39 | 109.0° | 109.5° |
| C30 | C29 | H40 | 109.0° | 109.5° |
| C29 | C30 | H41 | 109.3° | 109.5° |
| C29 | C30 | H42 | 109.4° | 109.5° |
| C22 | C23 | N4 | 114.3° | 109.8° |
| C23 | C22 | H29 | 109.4° | 109.6° |
| C23 | C22 | H30 | 109.4° | 109.6° |
| C22 | C23 | H31 | 108.2° | 109.4° |
| C22 | C23 | H32 | 108.3° | 109.4° |
| N4 | C19 | C18 | 113.2° | 109.9° |
| C19 | N4 | C23 | 119.4° | 120.3° |
| C19 | N4 | C24 | 117.5° | 119.8° |
| N4 | C19 | H24 | 108.8° | 109.1° |
| C19 | C18 | O5 | 123.1° | 120.1° |
| C19 | C18 | O4 | 112.6° | 119.7° |
| C18 | C19 | H24 | 108.2° | 109.2° |
| C23 | N4 | C24 | 121.6° | 120.0° |
| N4 | C23 | H31 | 108.3° | 109.4° |
| N4 | C23 | H32 | 108.3° | 109.4° |
| N4 | C24 | O6 | 118.1° | 120.0° |
| N4 | C24 | C25 | 120.3° | 119.9° |
| O6 | C24 | C25 | 121.6° | 120.0° |
| C24 | C25 | C26 | 110.2° | 109.4° |
| C24 | C25 | C4 | 110.6° | 109.7° |
| C24 | C25 | H33 | 108.0° | 109.5° |
| C25 | C26 | C31 | 112.1° | 109.5° |
| C26 | C25 | C4 | 111.6° | 109.4° |
| C26 | C25 | H33 | 108.1° | 109.4° |
| C25 | C26 | H34 | 107.7° | 109.4° |
| C26 | C31 | C30 | 114.3° | 109.4° |
| C31 | C26 | H34 | 107.7° | 109.5° |
| C26 | C31 | H44 | 108.2° | 109.4° |
| C26 | C31 | H43 | 108.3° | 109.5° |
| O5 | C18 | O4 | 124.1° | 120.1° |
| C18 | O4 | C17 | 115.1° | 117.6° |
| C31 | C30 | H41 | 109.3° | 109.5° |
| C31 | C30 | H42 | 109.3° | 109.5° |
| C30 | C31 | H44 | 108.2° | 109.5° |
| C30 | C31 | H43 | 108.2° | 109.5° |
| C25 | C4 | C3 | 121.0° | 119.6° |
| C25 | C4 | C5 | 119.6° | 120.2° |
| C4 | C25 | H33 | 108.3° | 109.5° |
| O4 | C17 | C15 | 110.2° | 109.2° |
| O4 | C17 | H23 | 109.3° | 109.6° |
| O4 | C17 | H22 | 109.3° | 109.6° |
| C3 | C4 | C5 | 119.3° | 120.1° |
| C4 | C3 | C2 | 120.7° | 120.2° |
| C4 | C3 | H4 | 119.7° | 119.9° |
| C4 | C5 | C6 | 120.3° | 120.1° |
| C4 | C5 | H5 | 119.9° | 120.0° |
| C17 | C15 | C16 | 110.9° | 109.4° |
| C17 | C15 | C14 | 110.6° | 109.7° |
| C17 | C15 | H18 | 107.9° | 109.4° |
| C15 | C17 | H23 | 109.3° | 109.5° |
| C15 | C17 | H22 | 109.3° | 109.5° |
| C3 | C2 | O1 | 125.6° | 120.1° |
| C3 | C2 | C7 | 119.8° | 119.8° |
| C2 | C3 | H4 | 119.7° | 119.9° |
| C5 | C6 | C7 | 120.1° | 119.9° |
| C5 | C6 | O3 | 126.8° | 120.2° |
| C6 | C5 | H5 | 119.9° | 119.9° |
| C16 | C15 | C14 | 111.4° | 109.4° |
| C16 | C15 | H18 | 108.1° | 109.4° |
| C15 | C16 | H20 | 109.5° | 109.5° |
| C15 | C16 | H21 | 109.5° | 109.5° |
| C15 | C16 | H19 | 109.5° | 109.4° |
| C15 | C14 | C13 | 112.0° | 109.3° |
| C15 | C14 | H17 | 108.9° | 109.5° |
| C15 | C14 | H16 | 108.8° | 109.6° |
| C14 | C15 | H18 | 107.8° | 109.4° |
| C1 | O1 | C2 | 114.2° | 117.0° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.4° | 109.4° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C2 | C7 | 114.5° | 120.0° |
| C2 | C7 | C6 | 119.5° | 119.9° |
| C2 | C7 | O2 | 119.6° | 120.1° |
| C7 | C6 | O3 | 112.9° | 119.9° |
| C6 | C7 | O2 | 120.8° | 120.0° |
| C6 | O3 | C9 | 119.7° | 117.0° |
| O3 | C9 | C10 | 106.5° | 109.3° |
| O3 | C9 | H9 | 110.2° | 109.5° |
| O3 | C9 | H10 | 110.2° | 109.5° |
| C9 | C10 | C11 | 112.5° | 109.4° |
| C10 | C9 | H9 | 110.2° | 109.5° |
| C10 | C9 | H10 | 110.2° | 109.5° |
| C9 | C10 | H11 | 108.7° | 109.4° |
| C9 | C10 | H12 | 108.7° | 109.5° |
| C7 | O2 | C8 | 113.9° | 117.0° |
| C14 | C13 | N2 | 122.1° | 126.9° |
| C14 | C13 | C12 | 130.1° | 126.6° |
| C13 | C14 | H17 | 108.8° | 109.5° |
| C13 | C14 | H16 | 108.9° | 109.5° |
| N2 | C13 | C12 | 107.8° | 106.5° |
| C13 | N2 | N3 | 109.1° | 108.9° |
| C13 | C12 | N1 | 104.5° | 106.2° |
| C13 | C12 | H15 | 127.8° | 126.9° |
| N2 | N3 | N1 | 106.6° | 110.1° |
| C10 | C11 | N1 | 111.4° | 109.5° |
| C10 | C11 | H13 | 109.0° | 109.4° |
| C10 | C11 | H14 | 109.0° | 109.4° |
| C11 | C10 | H11 | 108.7° | 109.5° |
| C11 | C10 | H12 | 108.7° | 109.5° |
| C12 | N1 | N3 | 111.9° | 108.3° |
| C12 | N1 | C11 | 128.9° | 125.9° |
| N1 | C12 | H15 | 127.8° | 126.9° |
| O2 | C8 | H7 | 109.5° | 109.4° |
| O2 | C8 | H8 | 109.4° | 109.5° |
| O2 | C8 | H6 | 109.5° | 109.4° |
| N3 | N1 | C11 | 119.2° | 125.8° |
| N1 | C11 | H13 | 109.0° | 109.5° |
| N1 | C11 | H14 | 109.0° | 109.5° |
| H17 | C14 | H16 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H7 | C8 | H6 | 109.5° | 109.4° |
| H8 | C8 | H6 | 109.5° | 109.5° |
| H9 | C9 | H10 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H20 | C16 | H21 | 109.5° | 109.5° |
| H20 | C16 | H19 | 109.5° | 109.5° |
| H21 | C16 | H19 | 109.4° | 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 | 109.5° | 109.6° |
| H31 | C23 | H32 | 109.4° | 109.4° |
| H36 | C27 | H35 | 109.5° | 109.4° |
| H37 | C28 | H38 | 109.5° | 109.5° |
| H39 | C29 | H40 | 109.5° | 109.4° |
| H41 | C30 | H42 | 109.5° | 109.4° |
| H44 | C31 | H43 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C20 | C19 | H26 | 120.4° | 120.2° |
| C21 | C20 | C19 | H25 | 120.4° | 120.1° |
| C20 | C21 | C22 | H27 | 119.9° | 119.9° |
| C20 | C21 | C22 | H28 | 120.0° | 119.9° |
| C20 | C21 | C22 | C23 | 56.8° | 61.8° |
| C21 | C20 | C19 | N4 | 52.6° | 52.2° |
| C21 | C20 | C19 | C18 | 71.4° | 68.6° |
| C21 | C20 | C19 | H24 | 172.0° | 171.6° |
| C21 | C20 | H26 | H25 | 118.8° | 119.8° |
| C20 | C21 | H27 | H28 | 120.2° | 120.0° |
| C20 | C21 | C22 | H29 | 176.8° | 178.3° |
| C20 | C21 | C22 | H30 | 63.3° | 58.2° |
| C19 | C20 | C21 | C22 | 61.9° | 61.4° |
| C20 | C19 | N4 | C18 | 120.4° | 120.9° |
| C20 | C19 | N4 | H24 | 119.1° | 119.4° |
| C20 | C19 | C18 | H24 | 116.7° | 119.7° |
| C20 | C19 | N4 | C23 | 42.8° | 48.9° |
| C20 | C19 | N4 | C24 | 150.9° | 131.1° |
| C20 | C19 | C18 | O5 | 65.9° | 45.4° |
| C20 | C19 | C18 | O4 | 119.1° | 134.6° |
| C19 | C20 | H26 | H25 | 118.7° | 119.7° |
| C19 | C20 | C21 | H27 | 58.0° | 58.5° |
| C19 | C20 | C21 | H28 | 178.1° | 178.6° |
| C27 | C28 | C29 | H37 | 120.3° | 120.0° |
| C27 | C28 | C29 | H38 | 120.3° | 120.0° |
| C28 | C27 | C26 | H36 | 120.1° | 120.1° |
| C28 | C27 | C26 | H35 | 120.1° | 119.9° |
| C27 | C28 | C29 | C30 | 58.0° | 60.0° |
| C28 | C27 | C26 | C25 | 179.7° | 180.0° |
| C28 | C27 | C26 | C31 | 54.9° | 60.0° |
| C28 | C27 | C26 | H34 | 62.3° | 60.0° |
| C28 | C27 | H36 | H35 | 119.7° | 119.9° |
| C27 | C28 | H37 | H38 | 119.1° | 120.1° |
| C27 | C28 | C29 | H39 | 62.3° | 60.0° |
| C27 | C28 | C29 | H40 | 178.3° | 180.0° |
| C29 | C28 | C27 | C26 | 58.3° | 60.0° |
| C28 | C29 | C30 | H39 | 120.3° | 120.0° |
| C28 | C29 | C30 | H40 | 120.3° | 120.0° |
| C28 | C29 | C30 | C31 | 54.1° | 60.0° |
| C29 | C28 | C27 | H36 | 178.4° | 60.0° |
| C29 | C28 | C27 | H35 | 61.9° | 180.0° |
| C29 | C28 | H37 | H38 | 119.1° | 120.0° |
| C28 | C29 | H39 | H40 | 119.1° | 119.9° |
| C28 | C29 | C30 | H41 | 174.2° | 180.0° |
| C28 | C29 | C30 | H42 | 66.0° | 60.0° |
| C27 | C26 | C25 | C24 | 68.7° | 58.9° |
| C27 | C26 | C25 | C31 | 123.6° | 120.0° |
| C27 | C26 | C25 | H34 | 118.2° | 120.0° |
| C27 | C26 | C31 | H34 | 117.4° | 120.0° |
| C27 | C26 | C31 | C30 | 54.2° | 60.0° |
| C27 | C26 | C25 | C4 | 168.0° | 61.3° |
| C27 | C26 | C25 | H33 | 49.1° | 178.8° |
| C26 | C27 | H36 | H35 | 119.7° | 120.0° |
| C26 | C27 | C28 | H37 | 178.6° | 180.0° |
| C26 | C27 | C28 | H38 | 62.0° | 60.0° |
| C27 | C26 | C31 | H44 | 174.9° | 180.0° |
| C27 | C26 | C31 | H43 | 66.5° | 60.0° |
| C21 | C22 | C23 | H29 | 120.0° | 119.9° |
| C21 | C22 | C23 | H30 | 120.0° | 119.9° |
| C21 | C22 | C23 | N4 | 46.6° | 53.3° |
| C22 | C21 | C20 | H26 | 58.5° | 178.4° |
| C22 | C21 | C20 | H25 | 177.7° | 58.7° |
| C22 | C21 | H27 | H28 | 120.2° | 120.1° |
| C21 | C22 | H29 | H30 | 119.9° | 120.1° |
| C21 | C22 | C23 | H31 | 74.1° | 66.8° |
| C21 | C22 | C23 | H32 | 167.4° | 173.3° |
| C29 | C30 | C31 | C26 | 53.3° | 60.0° |
| C29 | C30 | C31 | H41 | 120.1° | 120.0° |
| C29 | C30 | C31 | H42 | 120.1° | 120.0° |
| C30 | C29 | C28 | H37 | 178.3° | 180.0° |
| C30 | C29 | C28 | H38 | 62.3° | 60.0° |
| C30 | C29 | H39 | H40 | 119.2° | 120.1° |
| C29 | C30 | H41 | H42 | 119.8° | 120.0° |
| C29 | C30 | C31 | H44 | 174.0° | 180.0° |
| C29 | C30 | C31 | H43 | 67.5° | 60.0° |
| C22 | C23 | N4 | C19 | 40.8° | 49.7° |
| C22 | C23 | N4 | H31 | 120.7° | 120.1° |
| C22 | C23 | N4 | H32 | 120.7° | 120.1° |
| C22 | C23 | N4 | C24 | 153.4° | 130.4° |
| C23 | C22 | C21 | H27 | 63.2° | 58.2° |
| C23 | C22 | C21 | H28 | 176.7° | 178.3° |
| C23 | C22 | H29 | H30 | 120.0° | 120.2° |
| C22 | C23 | H31 | H32 | 117.8° | 119.9° |
| N4 | C19 | C18 | H24 | 120.7° | 119.6° |
| C19 | N4 | C23 | C24 | 165.7° | 180.0° |
| C19 | N4 | C24 | O6 | 0.6° | 0.2° |
| C19 | N4 | C24 | C25 | 178.2° | 179.9° |
| N4 | C19 | C18 | O5 | 171.6° | 75.4° |
| N4 | C19 | C18 | O4 | 3.5° | 104.7° |
| N4 | C19 | C20 | H26 | 67.8° | 172.4° |
| N4 | C19 | C20 | H25 | 173.0° | 67.9° |
| C19 | N4 | C23 | H31 | 79.9° | 70.5° |
| C19 | N4 | C23 | H32 | 161.6° | 169.7° |
| C18 | C19 | N4 | C23 | 77.6° | 72.0° |
| C18 | C19 | N4 | C24 | 88.7° | 107.9° |
| C19 | C18 | O5 | O4 | 174.4° | 180.0° |
| C19 | C18 | O4 | C17 | 178.9° | 179.5° |
| C18 | C19 | C20 | H26 | 168.2° | 51.5° |
| C18 | C19 | C20 | H25 | 49.0° | 171.2° |
| C23 | N4 | C24 | O6 | 166.6° | 179.8° |
| C23 | N4 | C24 | C25 | 12.2° | 0.1° |
| C23 | N4 | C19 | H24 | 161.9° | 168.3° |
| N4 | C23 | C22 | H29 | 166.7° | 173.2° |
| N4 | C23 | C22 | H30 | 73.4° | 66.6° |
| N4 | C23 | H31 | H32 | 117.8° | 119.8° |
| N4 | C24 | O6 | C25 | 178.7° | 179.9° |
| N4 | C24 | C25 | C26 | 147.4° | 90.5° |
| N4 | C24 | C25 | C4 | 88.7° | 149.5° |
| C24 | N4 | C19 | H24 | 31.7° | 11.7° |
| C24 | N4 | C23 | H31 | 85.9° | 109.5° |
| C24 | N4 | C23 | H32 | 32.7° | 10.3° |
| N4 | C24 | C25 | H33 | 29.6° | 29.3° |
| O6 | C24 | C25 | C26 | 33.8° | 89.6° |
| O6 | C24 | C25 | C4 | 90.0° | 30.5° |
| O6 | C24 | C25 | H33 | 151.7° | 150.6° |
| C24 | C25 | C26 | C4 | 123.3° | 120.2° |
| C24 | C25 | C26 | H33 | 117.8° | 119.9° |
| C24 | C25 | C26 | C31 | 167.7° | 61.1° |
| C24 | C25 | C4 | H33 | 118.1° | 120.1° |
| C24 | C25 | C4 | C3 | 124.8° | 157.2° |
| C24 | C25 | C4 | C5 | 54.6° | 23.2° |
| C24 | C25 | C26 | H34 | 49.4° | 178.9° |
| C25 | C26 | C31 | H34 | 118.3° | 119.9° |
| C25 | C26 | C31 | C30 | 178.5° | 180.0° |
| C26 | C25 | C4 | H33 | 118.8° | 119.9° |
| C26 | C25 | C4 | C3 | 112.1° | 37.2° |
| C26 | C25 | C4 | C5 | 68.5° | 143.2° |
| C25 | C26 | C27 | H36 | 60.2° | 60.0° |
| C25 | C26 | C27 | H35 | 59.6° | 60.0° |
| C25 | C26 | C31 | H44 | 60.9° | 60.0° |
| C25 | C26 | C31 | H43 | 57.8° | 60.0° |
| C26 | C31 | C30 | H44 | 120.7° | 120.0° |
| C26 | C31 | C30 | H43 | 120.7° | 120.0° |
| C31 | C26 | C25 | C4 | 44.5° | 178.7° |
| C31 | C26 | C25 | H33 | 74.5° | 58.8° |
| C31 | C26 | C27 | H36 | 175.0° | 60.0° |
| C31 | C26 | C27 | H35 | 65.2° | 180.0° |
| C26 | C31 | C30 | H41 | 173.3° | 180.0° |
| C26 | C31 | C30 | H42 | 66.8° | 60.0° |
| C26 | C31 | H44 | H43 | 117.8° | 120.0° |
| O5 | C18 | O4 | C17 | 3.9° | 0.5° |
| O5 | C18 | C19 | H24 | 50.8° | 165.0° |
| C18 | O4 | C17 | C15 | 148.2° | 153.9° |
| C18 | O4 | C17 | H23 | 91.7° | 86.2° |
| C18 | O4 | C17 | H22 | 28.1° | 34.0° |
| O4 | C18 | C19 | H24 | 124.2° | 14.9° |
| C30 | C31 | C26 | H34 | 63.2° | 60.0° |
| C31 | C30 | C29 | H39 | 66.2° | 60.0° |
| C31 | C30 | C29 | H40 | 174.4° | 180.0° |
| C31 | C30 | H41 | H42 | 119.8° | 120.0° |
| C30 | C31 | H44 | H43 | 117.8° | 120.1° |
| C25 | C4 | C3 | C5 | 179.4° | 179.7° |
| C25 | C4 | C3 | C2 | 178.3° | 179.9° |
| C25 | C4 | C5 | C6 | 177.1° | 179.7° |
| C25 | C4 | C5 | H5 | 2.8° | 0.2° |
| C25 | C4 | C3 | H4 | 1.7° | 0.1° |
| C4 | C25 | C26 | H34 | 73.8° | 58.7° |
| O4 | C17 | C15 | H23 | 120.1° | 119.9° |
| O4 | C17 | C15 | H22 | 120.1° | 120.0° |
| O4 | C17 | C15 | C16 | 68.9° | 32.4° |
| O4 | C17 | C15 | C14 | 167.0° | 152.5° |
| O4 | C17 | C15 | H18 | 49.4° | 87.5° |
| O4 | C17 | H23 | H22 | 119.7° | 120.2° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 3.4° | 0.7° |
| C4 | C3 | C2 | O1 | 179.1° | 180.0° |
| C4 | C3 | C2 | C7 | 3.3° | 0.0° |
| C3 | C4 | C5 | H5 | 176.6° | 179.4° |
| C3 | C4 | C25 | H33 | 6.7° | 82.7° |
| C5 | C4 | C3 | C2 | 1.1° | 0.2° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 5.9° | 0.9° |
| C4 | C5 | C6 | O3 | 178.4° | 179.0° |
| C5 | C4 | C3 | H4 | 178.9° | 179.8° |
| C5 | C4 | C25 | H33 | 172.7° | 96.9° |
| C17 | C15 | C16 | C14 | 123.6° | 120.3° |
| C17 | C15 | C16 | H18 | 118.1° | 119.9° |
| C17 | C15 | C14 | H18 | 117.7° | 120.1° |
| C17 | C15 | C14 | C13 | 64.0° | 96.4° |
| C17 | C15 | C14 | H17 | 56.4° | 23.5° |
| C17 | C15 | C14 | H16 | 175.6° | 143.6° |
| C17 | C15 | C16 | H20 | 180.0° | 23.9° |
| C17 | C15 | C16 | H21 | 60.0° | 96.2° |
| C17 | C15 | C16 | H19 | 60.0° | 143.8° |
| C15 | C17 | H23 | H22 | 119.7° | 120.1° |
| C3 | C2 | O1 | C1 | 6.1° | 0.0° |
| C3 | C2 | O1 | C7 | 176.1° | 180.0° |
| C3 | C2 | C7 | C6 | 0.8° | 0.3° |
| C3 | C2 | C7 | O2 | 178.7° | 179.7° |
| C5 | C6 | C7 | C2 | 3.7° | 0.7° |
| C5 | C6 | C7 | O3 | 176.3° | 179.9° |
| C5 | C6 | O3 | C9 | 15.2° | 47.2° |
| C5 | C6 | C7 | O2 | 174.2° | 179.3° |
| C16 | C15 | C14 | H18 | 118.5° | 119.9° |
| C16 | C15 | C14 | C13 | 172.2° | 23.6° |
| C16 | C15 | C14 | H17 | 67.4° | 143.5° |
| C16 | C15 | C14 | H16 | 51.8° | 96.3° |
| C15 | C16 | H20 | H21 | 120.0° | 120.0° |
| C15 | C16 | H20 | H19 | 120.0° | 119.9° |
| C15 | C16 | H21 | H19 | 120.0° | 119.9° |
| C16 | C15 | C17 | H23 | 171.0° | 87.6° |
| C16 | C15 | C17 | H22 | 51.2° | 152.4° |
| C15 | C14 | C13 | H17 | 120.4° | 119.9° |
| C15 | C14 | C13 | H16 | 120.4° | 120.0° |
| C15 | C14 | C13 | N2 | 110.8° | 153.9° |
| C15 | C14 | C13 | C12 | 69.1° | 26.0° |
| C15 | C14 | H17 | H16 | 118.8° | 120.2° |
| C14 | C15 | C16 | H20 | 56.4° | 96.4° |
| C14 | C15 | C16 | H21 | 63.6° | 143.5° |
| C14 | C15 | C16 | H19 | 176.4° | 23.6° |
| C14 | C15 | C17 | H23 | 46.9° | 32.5° |
| C14 | C15 | C17 | H22 | 72.9° | 87.5° |
| C1 | O1 | C2 | C7 | 169.9° | 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° |
| O1 | C2 | C7 | C6 | 177.2° | 179.8° |
| O1 | C2 | C7 | O2 | 4.9° | 0.2° |
| O1 | C2 | C3 | H4 | 0.8° | 0.0° |
| C2 | O1 | C1 | H2 | 180.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 180.0° |
| C2 | O1 | C1 | H1 | 60.0° | 60.0° |
| C2 | C7 | C6 | O2 | 177.9° | 180.0° |
| C2 | C7 | C6 | O3 | 180.0° | 179.2° |
| C2 | C7 | O2 | C8 | 104.0° | 90.0° |
| C7 | C2 | C3 | H4 | 176.7° | 180.0° |
| C7 | C6 | O3 | C9 | 160.8° | 132.9° |
| C6 | C7 | O2 | C8 | 78.1° | 90.0° |
| C7 | C6 | C5 | H5 | 174.1° | 179.2° |
| C6 | O3 | C9 | C10 | 179.1° | 151.2° |
| O3 | C6 | C7 | O2 | 2.1° | 0.8° |
| O3 | C6 | C5 | H5 | 1.6° | 0.9° |
| C6 | O3 | C9 | H9 | 61.4° | 88.8° |
| C6 | O3 | C9 | H10 | 59.5° | 31.3° |
| O3 | C9 | C10 | H9 | 119.5° | 120.0° |
| O3 | C9 | C10 | H10 | 119.5° | 119.9° |
| O3 | C9 | C10 | C11 | 58.9° | 140.8° |
| O3 | C9 | H9 | H10 | 121.4° | 120.1° |
| O3 | C9 | C10 | H11 | 61.6° | 99.2° |
| O3 | C9 | C10 | H12 | 179.3° | 20.8° |
| C9 | C10 | C11 | H11 | 120.5° | 119.9° |
| C9 | C10 | C11 | H12 | 120.5° | 120.0° |
| C9 | C10 | C11 | N1 | 41.4° | 110.3° |
| C9 | C10 | C11 | H13 | 78.9° | 9.7° |
| C9 | C10 | C11 | H14 | 161.7° | 129.6° |
| C10 | C9 | H9 | H10 | 121.3° | 120.1° |
| C9 | C10 | H11 | H12 | 118.6° | 120.0° |
| C7 | O2 | C8 | H7 | 180.0° | 179.9° |
| C7 | O2 | C8 | H8 | 60.0° | 60.0° |
| C7 | O2 | C8 | H6 | 60.0° | 60.0° |
| C14 | C13 | N2 | C12 | 179.9° | 179.9° |
| C14 | C13 | N2 | N3 | 177.9° | 179.9° |
| C14 | C13 | C12 | N1 | 176.4° | 179.8° |
| C13 | C14 | H17 | H16 | 118.9° | 120.0° |
| C14 | C13 | C12 | H15 | 3.6° | 0.2° |
| C13 | C14 | C15 | H18 | 53.7° | 143.5° |
| N2 | C13 | C12 | N1 | 3.4° | 0.3° |
| C13 | N2 | N3 | N1 | 0.4° | 0.0° |
| N2 | C13 | C14 | H17 | 9.6° | 86.2° |
| N2 | C13 | C14 | H16 | 128.9° | 33.9° |
| N2 | C13 | C12 | H15 | 176.6° | 179.8° |
| C12 | C13 | N2 | N3 | 1.9° | 0.2° |
| C13 | C12 | N1 | H15 | 180.0° | 179.9° |
| C13 | C12 | N1 | N3 | 3.8° | 0.3° |
| C13 | C12 | N1 | C11 | 177.7° | 179.7° |
| C12 | C13 | C14 | H17 | 170.6° | 93.9° |
| C12 | C13 | C14 | H16 | 51.3° | 146.0° |
| N2 | N3 | N1 | C12 | 2.7° | 0.2° |
| N2 | N3 | N1 | C11 | 178.7° | 179.9° |
| C10 | C11 | N1 | C12 | 98.6° | 24.8° |
| C10 | C11 | N1 | N3 | 83.1° | 155.1° |
| C10 | C11 | N1 | H13 | 120.3° | 120.0° |
| C10 | C11 | N1 | H14 | 120.3° | 120.0° |
| C10 | C11 | H13 | H14 | 119.1° | 120.0° |
| C11 | C10 | C9 | H9 | 178.4° | 20.9° |
| C11 | C10 | C9 | H10 | 60.7° | 99.2° |
| C11 | C10 | H11 | H12 | 118.6° | 120.1° |
| C12 | N1 | N3 | C11 | 178.6° | 180.0° |
| C12 | N1 | C11 | H13 | 21.6° | 95.2° |
| C12 | N1 | C11 | H14 | 141.1° | 144.8° |
| O2 | C8 | H7 | H8 | 120.0° | 120.0° |
| O2 | C8 | H7 | H6 | 120.0° | 119.9° |
| O2 | C8 | H8 | H6 | 120.0° | 120.0° |
| N3 | N1 | C11 | H13 | 156.7° | 84.9° |
| N3 | N1 | C11 | H14 | 37.2° | 35.1° |
| N3 | N1 | C12 | H15 | 176.1° | 179.8° |
| N1 | C11 | H13 | H14 | 119.1° | 120.0° |
| N1 | C11 | C10 | H11 | 161.9° | 9.6° |
| N1 | C11 | C10 | H12 | 79.0° | 129.7° |
| C11 | N1 | C12 | H15 | 2.3° | 0.2° |
| H17 | C14 | C15 | H18 | 174.1° | 96.6° |
| H16 | C14 | C15 | H18 | 66.7° | 23.6° |
| H13 | C11 | C10 | H11 | 41.6° | 129.6° |
| H13 | C11 | C10 | H12 | 160.7° | 110.3° |
| H14 | C11 | C10 | H11 | 77.8° | 110.5° |
| H14 | C11 | C10 | H12 | 41.2° | 9.7° |
| H7 | C8 | H8 | H6 | 120.0° | 120.0° |
| H9 | C9 | C10 | H11 | 57.9° | 140.8° |
| H9 | C9 | C10 | H12 | 61.1° | 99.1° |
| H10 | C9 | C10 | H11 | 178.9° | 20.7° |
| H10 | C9 | C10 | H12 | 59.8° | 140.8° |
| H2 | C1 | H3 | H1 | 120.0° | 120.0° |
| H18 | C15 | C16 | H20 | 61.9° | 143.7° |
| H18 | C15 | C16 | H21 | 178.1° | 23.7° |
| H18 | C15 | C16 | H19 | 58.2° | 96.3° |
| H18 | C15 | C17 | H23 | 70.7° | 152.6° |
| H18 | C15 | C17 | H22 | 169.5° | 32.5° |
| H20 | C16 | H21 | H19 | 120.0° | 120.0° |
| H24 | C19 | C20 | H26 | 51.6° | 68.2° |
| H24 | C19 | C20 | H25 | 67.6° | 51.5° |
| H26 | C20 | C21 | H27 | 178.4° | 61.7° |
| H26 | C20 | C21 | H28 | 61.5° | 58.4° |
| H25 | C20 | C21 | H27 | 62.4° | 178.6° |
| H25 | C20 | C21 | H28 | 57.7° | 61.3° |
| H27 | C21 | C22 | H29 | 56.9° | 61.7° |
| H27 | C21 | C22 | H30 | 176.8° | 178.1° |
| H28 | C21 | C22 | H29 | 63.2° | 58.4° |
| H28 | C21 | C22 | H30 | 56.7° | 61.8° |
| H29 | C22 | C23 | H31 | 45.9° | 53.1° |
| H29 | C22 | C23 | H32 | 72.6° | 66.7° |
| H30 | C22 | C23 | H31 | 165.9° | 173.3° |
| H30 | C22 | C23 | H32 | 47.3° | 53.5° |
| H33 | C25 | C26 | H34 | 167.2° | 61.2° |
| H34 | C26 | C27 | H36 | 57.8° | 180.0° |
| H34 | C26 | C27 | H35 | 177.6° | 60.0° |
| H34 | C26 | C31 | H44 | 57.4° | 60.0° |
| H34 | C26 | C31 | H43 | 176.1° | 180.0° |
| H36 | C27 | C28 | H37 | 61.3° | 59.9° |
| H36 | C27 | C28 | H38 | 58.1° | 180.0° |
| H35 | C27 | C28 | H37 | 58.4° | 60.0° |
| H35 | C27 | C28 | H38 | 177.8° | 60.0° |
| H37 | C28 | C29 | H39 | 58.0° | 60.0° |
| H37 | C28 | C29 | H40 | 61.4° | 60.0° |
| H38 | C28 | C29 | H39 | 177.4° | 180.0° |
| H38 | C28 | C29 | H40 | 58.0° | 60.0° |
| H39 | C29 | C30 | H41 | 53.9° | 60.0° |
| H39 | C29 | C30 | H42 | 173.7° | 180.0° |
| H40 | C29 | C30 | H41 | 65.6° | 60.0° |
| H40 | C29 | C30 | H42 | 54.3° | 60.0° |
| H41 | C30 | C31 | H44 | 66.0° | 60.0° |
| H41 | C30 | C31 | H43 | 52.6° | 60.0° |
| H42 | C30 | C31 | H44 | 53.9° | 60.0° |
| H42 | C30 | C31 | H43 | 172.4° | 180.0° |
