A1INU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C21 | sing | 1.53Å | 1.46Å | |
| C20 | C19 | sing | 1.52Å | 1.52Å | |
| C28 | C27 | sing | 1.53Å | 1.51Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C19 | N4 | sing | 1.46Å | 1.48Å | |
| C19 | C18 | sing | 1.50Å | 1.55Å | |
| N4 | C24 | sing | 1.35Å | 1.36Å | |
| N4 | C23 | sing | 1.46Å | 1.45Å | |
| O6 | C24 | doub | 1.21Å | 1.24Å | |
| C24 | C25 | sing | 1.51Å | 1.49Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C26 | C31 | sing | 1.53Å | 1.51Å | |
| O5 | C18 | doub | 1.21Å | 1.19Å | |
| C18 | O4 | sing | 1.34Å | 1.32Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C25 | C4 | sing | 1.51Å | 1.54Å | |
| O4 | C17 | sing | 1.45Å | 1.48Å | |
| C4 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.51Å | 1.50Å | |
| C13 | C14 | doub | 1.35Å | 1.37Å | Aromatic |
| C13 | N1 | sing | 1.35Å | 1.34Å | Aromatic |
| C14 | N2 | sing | 1.34Å | 1.35Å | Aromatic |
| C6 | O3 | sing | 1.36Å | 1.37Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.36Å | |
| N1 | C12 | sing | 1.46Å | 1.47Å | |
| N1 | N3 | sing | 1.29Å | 1.36Å | Aromatic |
| C12 | C10 | sing | 1.53Å | 1.49Å | |
| C9 | O3 | sing | 1.43Å | 1.44Å | |
| C9 | C10 | sing | 1.53Å | 1.47Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C7 | O2 | sing | 1.36Å | 1.38Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| N2 | N3 | doub | 1.29Å | 1.33Å | Aromatic |
| O2 | C8 | sing | 1.43Å | 1.41Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | 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 | 1.10Å | 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 | 110.8° | 111.3° |
| C20 | C21 | C22 | 108.1° | 109.0° |
| C21 | C20 | H26 | 109.1° | 109.1° |
| C21 | C20 | H25 | 109.1° | 109.2° |
| C20 | C21 | H27 | 109.8° | 109.5° |
| C20 | C21 | H28 | 109.8° | 109.5° |
| C20 | C19 | N4 | 114.2° | 110.3° |
| C20 | C19 | C18 | 109.1° | 110.5° |
| C20 | C19 | H24 | 108.2° | 108.9° |
| C19 | C20 | H26 | 109.1° | 109.1° |
| C19 | C20 | H25 | 109.2° | 109.1° |
| C27 | C28 | C29 | 112.9° | 109.4° |
| C28 | C27 | C26 | 111.3° | 109.5° |
| C28 | C27 | H36 | 109.0° | 109.5° |
| C28 | C27 | H35 | 109.0° | 109.4° |
| C27 | C28 | H37 | 108.6° | 109.5° |
| C27 | C28 | H38 | 108.6° | 109.5° |
| C28 | C29 | C30 | 107.6° | 109.5° |
| C29 | C28 | H37 | 108.6° | 109.5° |
| C29 | C28 | H38 | 108.6° | 109.4° |
| C28 | C29 | H39 | 109.9° | 109.4° |
| C28 | C29 | H40 | 110.0° | 109.5° |
| C27 | C26 | C25 | 110.4° | 109.5° |
| C27 | C26 | C31 | 108.1° | 109.4° |
| C27 | C26 | H34 | 108.2° | 109.5° |
| C26 | C27 | H36 | 109.0° | 109.5° |
| C26 | C27 | H35 | 109.0° | 109.4° |
| C21 | C22 | C23 | 109.4° | 108.4° |
| C22 | C21 | H27 | 109.8° | 109.6° |
| C22 | C21 | H28 | 109.8° | 109.6° |
| C21 | C22 | H29 | 109.5° | 109.6° |
| C21 | C22 | H30 | 109.5° | 109.6° |
| C22 | C23 | N4 | 114.2° | 110.3° |
| C23 | C22 | H29 | 109.5° | 109.7° |
| C23 | C22 | H30 | 109.5° | 109.7° |
| C22 | C23 | H31 | 108.3° | 109.3° |
| C22 | C23 | H32 | 108.3° | 109.3° |
| C29 | C30 | C31 | 112.9° | 109.4° |
| C30 | C29 | H39 | 109.9° | 109.5° |
| C30 | C29 | H40 | 109.9° | 109.5° |
| C29 | C30 | H41 | 108.6° | 109.4° |
| C29 | C30 | H42 | 108.6° | 109.5° |
| N4 | C19 | C18 | 108.8° | 110.7° |
| C19 | N4 | C24 | 117.9° | 119.5° |
| C19 | N4 | C23 | 114.5° | 120.7° |
| N4 | C19 | H24 | 108.6° | 108.6° |
| C19 | C18 | O5 | 123.9° | 120.1° |
| C19 | C18 | O4 | 110.3° | 119.3° |
| C18 | C19 | H24 | 107.8° | 107.7° |
| C24 | N4 | C23 | 126.9° | 119.8° |
| N4 | C24 | O6 | 123.5° | 120.2° |
| N4 | C24 | C25 | 118.3° | 119.7° |
| N4 | C23 | H31 | 108.3° | 109.4° |
| N4 | C23 | H32 | 108.3° | 109.2° |
| O6 | C24 | C25 | 117.3° | 120.1° |
| C24 | C25 | C26 | 111.5° | 109.4° |
| C24 | C25 | C4 | 110.3° | 110.1° |
| C24 | C25 | H33 | 107.9° | 109.4° |
| C25 | C26 | C31 | 113.6° | 109.5° |
| C26 | C25 | C4 | 112.5° | 109.3° |
| C26 | C25 | H33 | 107.3° | 109.2° |
| C25 | C26 | H34 | 108.0° | 109.5° |
| C26 | C31 | C30 | 115.7° | 109.5° |
| C31 | C26 | H34 | 108.4° | 109.4° |
| C26 | C31 | H44 | 107.9° | 109.5° |
| C26 | C31 | H43 | 107.9° | 109.4° |
| O5 | C18 | O4 | 125.8° | 120.5° |
| C18 | O4 | C17 | 118.5° | 118.2° |
| C31 | C30 | H41 | 108.6° | 109.4° |
| C31 | C30 | H42 | 108.6° | 109.5° |
| C30 | C31 | H44 | 107.9° | 109.5° |
| C30 | C31 | H43 | 107.9° | 109.6° |
| C25 | C4 | C5 | 121.4° | 120.6° |
| C25 | C4 | C3 | 118.8° | 119.4° |
| C4 | C25 | H33 | 107.3° | 109.4° |
| O4 | C17 | C16 | 112.0° | 109.1° |
| O4 | C17 | H23 | 108.8° | 109.5° |
| O4 | C17 | H22 | 108.8° | 109.6° |
| C5 | C4 | C3 | 119.8° | 120.0° |
| C4 | C5 | C6 | 120.6° | 120.2° |
| C4 | C5 | H5 | 119.7° | 119.9° |
| C4 | C3 | C2 | 120.4° | 120.2° |
| C4 | C3 | H4 | 119.8° | 119.8° |
| C5 | C6 | O3 | 127.0° | 120.4° |
| C5 | C6 | C7 | 120.1° | 119.8° |
| C6 | C5 | H5 | 119.7° | 119.9° |
| C17 | C16 | C15 | 110.7° | 110.0° |
| C17 | C16 | H21 | 109.1° | 109.4° |
| C17 | C16 | H20 | 109.2° | 109.3° |
| C16 | C17 | H23 | 108.8° | 109.5° |
| C16 | C17 | H22 | 108.9° | 109.6° |
| C3 | C2 | C7 | 119.6° | 119.8° |
| C3 | C2 | O1 | 125.8° | 120.1° |
| C2 | C3 | H4 | 119.8° | 120.0° |
| C16 | C15 | C14 | 110.3° | 109.5° |
| C16 | C15 | H19 | 109.2° | 109.5° |
| C16 | C15 | H18 | 109.3° | 109.5° |
| C15 | C16 | H21 | 109.2° | 109.3° |
| C15 | C16 | H20 | 109.2° | 109.4° |
| C15 | C14 | C13 | 131.6° | 126.6° |
| C15 | C14 | N2 | 120.4° | 126.9° |
| C14 | C15 | H19 | 109.2° | 109.4° |
| C14 | C15 | H18 | 109.2° | 109.5° |
| C14 | C13 | N1 | 105.6° | 106.2° |
| C13 | C14 | N2 | 108.0° | 106.5° |
| C14 | C13 | H17 | 127.2° | 126.9° |
| C13 | N1 | C12 | 131.1° | 125.7° |
| C13 | N1 | N3 | 110.5° | 108.3° |
| N1 | C13 | H17 | 127.2° | 127.0° |
| C14 | N2 | N3 | 109.4° | 108.8° |
| O3 | C6 | C7 | 112.8° | 119.8° |
| C6 | O3 | C9 | 121.6° | 118.0° |
| C6 | C7 | C2 | 119.2° | 120.0° |
| C6 | C7 | O2 | 119.3° | 120.0° |
| C7 | C2 | O1 | 113.6° | 120.1° |
| C2 | C7 | O2 | 121.5° | 120.0° |
| C2 | O1 | C1 | 116.8° | 117.0° |
| C12 | N1 | N3 | 118.2° | 126.0° |
| N1 | C12 | C10 | 113.0° | 109.3° |
| N1 | C12 | H16 | 108.6° | 109.5° |
| N1 | C12 | H15 | 108.6° | 109.5° |
| N1 | N3 | N2 | 106.5° | 110.2° |
| C12 | C10 | C9 | 113.4° | 109.6° |
| C12 | C10 | C11 | 108.9° | 109.4° |
| C12 | C10 | H11 | 108.7° | 109.4° |
| C10 | C12 | H16 | 108.6° | 109.5° |
| C10 | C12 | H15 | 108.6° | 109.5° |
| O3 | C9 | C10 | 111.3° | 109.3° |
| O3 | C9 | H9 | 109.0° | 109.5° |
| O3 | C9 | H10 | 109.0° | 109.5° |
| C9 | C10 | C11 | 109.0° | 109.4° |
| C10 | C9 | H9 | 109.0° | 109.5° |
| C10 | C9 | H10 | 109.0° | 109.4° |
| C9 | C10 | H11 | 108.9° | 109.5° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.4° | 109.5° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| C7 | O2 | C8 | 108.5° | 117.0° |
| C10 | C11 | H12 | 109.5° | 109.5° |
| C10 | C11 | H13 | 109.5° | 109.5° |
| C10 | C11 | H14 | 109.5° | 109.5° |
| C11 | C10 | H11 | 107.9° | 109.5° |
| O2 | C8 | H7 | 109.5° | 109.5° |
| O2 | C8 | H8 | 109.4° | 109.5° |
| O2 | C8 | H6 | 109.5° | 109.4° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H12 | C11 | H14 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H7 | C8 | H6 | 109.5° | 109.5° |
| H8 | C8 | H6 | 109.5° | 109.5° |
| H9 | C9 | H10 | 109.5° | 109.5° |
| H16 | C12 | H15 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H19 | C15 | H18 | 109.5° | 109.5° |
| H21 | C16 | H20 | 109.5° | 109.4° |
| H23 | C17 | H22 | 109.5° | 109.6° |
| H26 | C20 | H25 | 109.5° | 109.0° |
| H27 | C21 | H28 | 109.5° | 109.6° |
| H29 | C22 | H30 | 109.5° | 109.8° |
| H31 | C23 | H32 | 109.5° | 109.3° |
| H36 | C27 | H35 | 109.5° | 109.5° |
| H37 | C28 | H38 | 109.5° | 109.6° |
| H39 | C29 | H40 | 109.5° | 109.4° |
| H41 | C30 | H42 | 109.5° | 109.5° |
| H44 | C31 | H43 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C20 | C19 | H26 | 120.2° | 120.5° |
| C21 | C20 | C19 | H25 | 120.2° | 120.5° |
| C20 | C21 | C22 | H27 | 119.8° | 119.9° |
| C20 | C21 | C22 | H28 | 119.8° | 119.8° |
| C20 | C21 | C22 | C23 | 61.8° | 62.3° |
| C21 | C20 | C19 | N4 | 52.8° | 49.1° |
| C21 | C20 | C19 | C18 | 69.2° | 73.6° |
| C21 | C20 | C19 | H24 | 173.9° | 168.2° |
| C21 | C20 | H26 | H25 | 119.4° | 119.1° |
| C20 | C21 | H27 | H28 | 120.6° | 120.2° |
| C20 | C21 | C22 | H29 | 178.2° | 178.0° |
| C20 | C21 | C22 | H30 | 58.2° | 57.4° |
| C19 | C20 | C21 | C22 | 62.2° | 60.4° |
| C20 | C19 | N4 | C18 | 122.1° | 122.6° |
| C20 | C19 | N4 | H24 | 120.8° | 119.3° |
| C20 | C19 | C18 | H24 | 117.2° | 118.9° |
| C20 | C19 | N4 | C24 | 146.4° | 135.6° |
| C20 | C19 | N4 | C23 | 42.2° | 45.1° |
| C20 | C19 | C18 | O5 | 58.3° | 49.6° |
| C20 | C19 | C18 | O4 | 120.4° | 130.7° |
| C19 | C20 | H26 | H25 | 119.4° | 119.0° |
| C19 | C20 | C21 | H27 | 57.6° | 59.5° |
| C19 | C20 | C21 | H28 | 178.0° | 179.7° |
| C27 | C28 | C29 | H37 | 120.5° | 120.0° |
| C27 | C28 | C29 | H38 | 120.5° | 119.9° |
| C28 | C27 | C26 | H36 | 120.3° | 120.0° |
| C28 | C27 | C26 | H35 | 120.3° | 119.9° |
| C27 | C28 | C29 | C30 | 57.0° | 60.0° |
| C28 | C27 | C26 | C25 | 179.8° | 180.0° |
| C28 | C27 | C26 | C31 | 55.0° | 60.0° |
| C28 | C27 | C26 | H34 | 62.2° | 60.0° |
| C28 | C27 | H36 | H35 | 119.2° | 120.0° |
| C27 | C28 | H37 | H38 | 118.4° | 120.1° |
| C27 | C28 | C29 | H39 | 62.8° | 60.1° |
| C27 | C28 | C29 | H40 | 176.7° | 180.0° |
| C29 | C28 | C27 | C26 | 61.0° | 60.0° |
| C28 | C29 | C30 | H39 | 119.7° | 120.0° |
| C28 | C29 | C30 | H40 | 119.7° | 120.0° |
| C28 | C29 | C30 | C31 | 51.3° | 60.0° |
| C29 | C28 | C27 | H36 | 178.8° | 60.0° |
| C29 | C28 | C27 | H35 | 59.3° | 180.0° |
| C29 | C28 | H37 | H38 | 118.4° | 120.0° |
| C28 | C29 | H39 | H40 | 120.9° | 119.9° |
| C28 | C29 | C30 | H41 | 171.8° | 180.0° |
| C28 | C29 | C30 | H42 | 69.2° | 60.0° |
| C27 | C26 | C25 | C24 | 64.3° | 57.3° |
| C27 | C26 | C25 | C31 | 121.6° | 120.0° |
| C27 | C26 | C25 | H34 | 118.1° | 120.1° |
| C27 | C26 | C31 | H34 | 117.0° | 120.0° |
| C27 | C26 | C31 | C30 | 52.0° | 60.0° |
| C27 | C26 | C25 | C4 | 171.3° | 63.3° |
| C27 | C26 | C25 | H33 | 53.6° | 177.0° |
| C26 | C27 | H36 | H35 | 119.2° | 120.0° |
| C26 | C27 | C28 | H37 | 178.5° | 180.0° |
| C26 | C27 | C28 | H38 | 59.5° | 59.9° |
| C27 | C26 | C31 | H44 | 172.9° | 180.0° |
| C27 | C26 | C31 | H43 | 68.9° | 60.0° |
| C21 | C22 | C23 | H29 | 120.0° | 119.7° |
| C21 | C22 | C23 | H30 | 120.0° | 119.7° |
| C21 | C22 | C23 | N4 | 52.4° | 54.5° |
| C22 | C21 | C20 | H26 | 58.0° | 179.1° |
| C22 | C21 | C20 | H25 | 177.6° | 60.1° |
| C22 | C21 | H27 | H28 | 120.7° | 120.3° |
| C21 | C22 | H29 | H30 | 120.0° | 120.5° |
| C21 | C22 | C23 | H31 | 68.2° | 65.9° |
| C21 | C22 | C23 | H32 | 173.1° | 174.5° |
| C22 | C23 | N4 | C19 | 42.7° | 48.5° |
| C22 | C23 | N4 | C24 | 146.8° | 132.3° |
| C22 | C23 | N4 | H31 | 120.7° | 120.3° |
| C22 | C23 | N4 | H32 | 120.7° | 120.2° |
| C23 | C22 | C21 | H27 | 58.0° | 57.6° |
| C23 | C22 | C21 | H28 | 178.4° | 177.9° |
| C23 | C22 | H29 | H30 | 120.1° | 120.5° |
| C22 | C23 | H31 | H32 | 117.9° | 119.6° |
| C29 | C30 | C31 | C26 | 52.5° | 60.1° |
| C29 | C30 | C31 | H41 | 120.5° | 119.9° |
| C29 | C30 | C31 | H42 | 120.5° | 120.0° |
| C30 | C29 | C28 | H37 | 177.5° | 180.0° |
| C30 | C29 | C28 | H38 | 63.6° | 59.9° |
| C30 | C29 | H39 | H40 | 120.8° | 120.1° |
| C29 | C30 | H41 | H42 | 118.4° | 120.0° |
| C29 | C30 | C31 | H44 | 173.4° | 180.0° |
| C29 | C30 | C31 | H43 | 68.4° | 60.0° |
| N4 | C19 | C18 | H24 | 117.6° | 118.6° |
| C19 | N4 | C24 | C23 | 170.3° | 179.2° |
| C19 | N4 | C24 | O6 | 4.1° | 0.7° |
| C19 | N4 | C24 | C25 | 172.6° | 179.4° |
| N4 | C19 | C18 | O5 | 176.6° | 72.9° |
| N4 | C19 | C18 | O4 | 4.8° | 106.8° |
| N4 | C19 | C20 | H26 | 67.4° | 169.6° |
| N4 | C19 | C20 | H25 | 173.0° | 71.4° |
| C19 | N4 | C23 | H31 | 78.0° | 71.8° |
| C19 | N4 | C23 | H32 | 163.4° | 168.7° |
| C18 | C19 | N4 | C24 | 91.5° | 101.7° |
| C18 | C19 | N4 | C23 | 79.9° | 77.5° |
| C19 | C18 | O5 | O4 | 178.5° | 179.7° |
| C19 | C18 | O4 | C17 | 171.7° | 178.2° |
| C18 | C19 | C20 | H26 | 170.6° | 46.9° |
| C18 | C19 | C20 | H25 | 51.0° | 165.8° |
| N4 | C24 | O6 | C25 | 168.5° | 180.0° |
| N4 | C24 | C25 | C26 | 153.7° | 88.4° |
| N4 | C24 | C25 | C4 | 80.7° | 151.4° |
| C24 | N4 | C19 | H24 | 25.5° | 16.3° |
| C24 | N4 | C23 | H31 | 92.5° | 107.5° |
| C24 | N4 | C23 | H32 | 26.1° | 12.1° |
| N4 | C24 | C25 | H33 | 36.2° | 31.2° |
| C23 | N4 | C24 | O6 | 166.1° | 179.9° |
| C23 | N4 | C24 | C25 | 2.3° | 0.1° |
| C23 | N4 | C19 | H24 | 163.0° | 164.4° |
| N4 | C23 | C22 | H29 | 172.4° | 174.1° |
| N4 | C23 | C22 | H30 | 67.5° | 65.2° |
| N4 | C23 | H31 | H32 | 117.8° | 119.5° |
| O6 | C24 | C25 | C26 | 37.2° | 91.6° |
| O6 | C24 | C25 | C4 | 88.5° | 28.6° |
| O6 | C24 | C25 | H33 | 154.7° | 148.8° |
| C24 | C25 | C26 | C4 | 124.4° | 120.7° |
| C24 | C25 | C26 | H33 | 117.9° | 119.7° |
| C24 | C25 | C26 | C31 | 174.1° | 62.7° |
| C24 | C25 | C4 | H33 | 117.2° | 120.2° |
| C24 | C25 | C4 | C5 | 123.5° | 19.2° |
| C24 | C25 | C4 | C3 | 57.3° | 161.1° |
| C24 | C25 | C26 | H34 | 53.8° | 177.4° |
| C25 | C26 | C31 | H34 | 120.1° | 120.0° |
| C25 | C26 | C31 | C30 | 174.8° | 180.0° |
| C26 | C25 | C4 | H33 | 117.7° | 119.6° |
| C26 | C25 | C4 | C5 | 111.4° | 139.4° |
| C26 | C25 | C4 | C3 | 67.8° | 40.9° |
| C25 | C26 | C27 | H36 | 59.9° | 60.0° |
| C25 | C26 | C27 | H35 | 59.5° | 60.1° |
| C25 | C26 | C31 | H44 | 64.3° | 60.0° |
| C25 | C26 | C31 | H43 | 53.9° | 60.0° |
| C26 | C31 | C30 | H44 | 120.9° | 120.0° |
| C26 | C31 | C30 | H43 | 120.9° | 120.0° |
| C31 | C26 | C25 | C4 | 49.7° | 176.7° |
| C31 | C26 | C25 | H33 | 68.0° | 57.0° |
| C31 | C26 | C27 | H36 | 175.3° | 60.0° |
| C31 | C26 | C27 | H35 | 65.3° | 180.0° |
| C26 | C31 | C30 | H41 | 173.0° | 180.0° |
| C26 | C31 | C30 | H42 | 68.0° | 60.0° |
| C26 | C31 | H44 | H43 | 117.2° | 119.9° |
| O5 | C18 | O4 | C17 | 6.9° | 2.1° |
| O5 | C18 | C19 | H24 | 58.9° | 168.5° |
| C18 | O4 | C17 | C16 | 154.7° | 147.9° |
| C18 | O4 | C17 | H23 | 85.0° | 92.2° |
| C18 | O4 | C17 | H22 | 34.3° | 27.9° |
| O4 | C18 | C19 | H24 | 122.4° | 11.8° |
| C30 | C31 | C26 | H34 | 65.1° | 60.0° |
| C31 | C30 | C29 | H39 | 68.4° | 60.0° |
| C31 | C30 | C29 | H40 | 171.1° | 180.0° |
| C31 | C30 | H41 | H42 | 118.5° | 120.1° |
| C30 | C31 | H44 | H43 | 117.1° | 120.1° |
| C25 | C4 | C5 | C3 | 179.1° | 179.7° |
| C25 | C4 | C5 | C6 | 176.0° | 179.7° |
| C25 | C4 | C3 | C2 | 179.2° | 179.6° |
| C25 | C4 | C5 | H5 | 4.0° | 0.3° |
| C25 | C4 | C3 | H4 | 0.8° | 0.5° |
| C4 | C25 | C26 | H34 | 70.6° | 56.7° |
| O4 | C17 | C16 | H23 | 120.4° | 119.8° |
| O4 | C17 | C16 | H22 | 120.4° | 120.0° |
| O4 | C17 | C16 | C15 | 66.7° | 152.1° |
| O4 | C17 | C16 | H21 | 53.5° | 87.8° |
| O4 | C17 | C16 | H20 | 173.1° | 32.0° |
| O4 | C17 | H23 | H22 | 118.8° | 120.2° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.0° | 0.1° |
| C4 | C5 | C6 | O3 | 178.2° | 179.3° |
| C4 | C5 | C6 | C7 | 1.8° | 0.3° |
| C5 | C4 | C3 | H4 | 180.0° | 179.8° |
| C5 | C4 | C25 | H33 | 6.3° | 101.0° |
| C3 | C4 | C5 | C6 | 3.2° | 0.0° |
| C4 | C3 | C2 | H4 | 180.0° | 179.9° |
| C4 | C3 | C2 | C7 | 4.5° | 0.0° |
| C4 | C3 | C2 | O1 | 172.6° | 179.9° |
| C3 | C4 | C5 | H5 | 176.9° | 180.0° |
| C3 | C4 | C25 | H33 | 174.5° | 78.7° |
| C5 | C6 | O3 | C7 | 180.0° | 179.6° |
| C5 | C6 | C7 | C2 | 2.7° | 0.4° |
| C5 | C6 | O3 | C9 | 24.7° | 43.0° |
| C5 | C6 | C7 | O2 | 175.0° | 179.6° |
| C17 | C16 | C15 | H21 | 120.2° | 120.1° |
| C17 | C16 | C15 | H20 | 120.2° | 120.1° |
| C17 | C16 | C15 | C14 | 155.5° | 92.2° |
| C17 | C16 | C15 | H19 | 84.4° | 27.7° |
| C17 | C16 | C15 | H18 | 35.3° | 147.7° |
| C17 | C16 | H21 | H20 | 119.5° | 119.8° |
| C16 | C17 | H23 | H22 | 118.9° | 120.2° |
| C3 | C2 | C7 | C6 | 5.8° | 0.2° |
| C3 | C2 | C7 | O1 | 169.5° | 180.0° |
| C3 | C2 | O1 | C1 | 13.4° | 0.1° |
| C3 | C2 | C7 | O2 | 171.8° | 179.8° |
| C16 | C15 | C14 | H19 | 120.1° | 120.0° |
| C16 | C15 | C14 | H18 | 120.2° | 120.0° |
| C16 | C15 | C14 | C13 | 109.7° | 37.4° |
| C16 | C15 | C14 | N2 | 69.5° | 142.7° |
| C16 | C15 | H19 | H18 | 119.6° | 120.0° |
| C15 | C16 | H21 | H20 | 119.5° | 119.7° |
| C15 | C16 | C17 | H23 | 172.9° | 32.3° |
| C15 | C16 | C17 | H22 | 53.7° | 87.9° |
| C15 | C14 | C13 | N2 | 179.3° | 179.9° |
| C15 | C14 | C13 | N1 | 179.7° | 179.7° |
| C15 | C14 | N2 | N3 | 179.5° | 179.7° |
| C15 | C14 | C13 | H17 | 0.3° | 0.3° |
| C14 | C15 | H19 | H18 | 119.6° | 120.0° |
| C14 | C15 | C16 | H21 | 35.3° | 147.6° |
| C14 | C15 | C16 | H20 | 84.4° | 27.9° |
| C14 | C13 | N1 | H17 | 180.0° | 180.0° |
| C14 | C13 | N1 | C12 | 176.2° | 179.9° |
| C14 | C13 | N1 | N3 | 0.6° | 0.1° |
| C13 | C14 | N2 | N3 | 1.1° | 0.2° |
| C13 | C14 | C15 | H19 | 130.2° | 82.6° |
| C13 | C14 | C15 | H18 | 10.4° | 157.4° |
| N1 | C13 | C14 | N2 | 1.0° | 0.2° |
| C13 | N1 | C12 | N3 | 175.4° | 180.0° |
| C13 | N1 | C12 | C10 | 100.2° | 36.9° |
| C13 | N1 | N3 | N2 | 0.1° | 0.0° |
| C13 | N1 | C12 | H16 | 139.2° | 83.1° |
| C13 | N1 | C12 | H15 | 20.3° | 156.8° |
| C14 | N2 | N3 | N1 | 0.7° | 0.2° |
| N2 | C14 | C13 | H17 | 179.0° | 179.8° |
| N2 | C14 | C15 | H19 | 50.6° | 97.3° |
| N2 | C14 | C15 | H18 | 170.3° | 22.7° |
| O3 | C6 | C7 | C2 | 177.3° | 179.2° |
| C6 | O3 | C9 | C10 | 155.5° | 148.3° |
| O3 | C6 | C7 | O2 | 5.0° | 0.8° |
| O3 | C6 | C5 | H5 | 1.8° | 0.7° |
| C6 | O3 | C9 | H9 | 35.3° | 91.7° |
| C6 | O3 | C9 | H10 | 84.2° | 28.4° |
| C6 | C7 | C2 | O2 | 177.7° | 180.0° |
| C6 | C7 | C2 | O1 | 175.3° | 179.8° |
| C7 | C6 | O3 | C9 | 155.3° | 137.5° |
| C6 | C7 | O2 | C8 | 88.2° | 90.0° |
| C7 | C6 | C5 | H5 | 178.2° | 179.7° |
| C7 | C2 | O1 | C1 | 177.9° | 180.0° |
| C2 | C7 | O2 | C8 | 94.1° | 90.0° |
| C7 | C2 | C3 | H4 | 175.5° | 179.8° |
| O1 | C2 | C7 | O2 | 2.4° | 0.2° |
| O1 | C2 | C3 | H4 | 7.4° | 0.2° |
| C2 | O1 | C1 | H2 | 180.0° | 180.0° |
| C2 | O1 | C1 | H3 | 60.0° | 60.1° |
| C2 | O1 | C1 | H1 | 60.0° | 59.9° |
| N1 | C12 | C10 | H16 | 120.5° | 120.0° |
| N1 | C12 | C10 | H15 | 120.5° | 119.9° |
| N1 | C12 | C10 | C9 | 56.1° | 110.4° |
| N1 | C12 | C10 | C11 | 177.7° | 129.6° |
| C12 | N1 | N3 | N2 | 176.2° | 180.0° |
| N1 | C12 | C10 | H11 | 65.1° | 9.7° |
| N1 | C12 | H16 | H15 | 118.4° | 120.0° |
| C12 | N1 | C13 | H17 | 3.8° | 0.1° |
| N3 | N1 | C12 | C10 | 75.2° | 143.1° |
| N3 | N1 | C12 | H16 | 45.4° | 96.9° |
| N3 | N1 | C12 | H15 | 164.3° | 23.2° |
| N3 | N1 | C13 | H17 | 179.4° | 179.9° |
| C12 | C10 | C9 | O3 | 82.1° | 137.5° |
| C12 | C10 | C9 | C11 | 121.4° | 120.0° |
| C12 | C10 | C9 | H11 | 121.1° | 120.0° |
| C12 | C10 | C11 | H11 | 117.8° | 119.9° |
| C12 | C10 | C11 | H12 | 180.0° | 179.8° |
| C12 | C10 | C11 | H13 | 60.0° | 59.9° |
| C12 | C10 | C11 | H14 | 60.0° | 60.2° |
| C12 | C10 | C9 | H9 | 38.2° | 17.4° |
| C12 | C10 | C9 | H10 | 157.6° | 102.6° |
| C10 | C12 | H16 | H15 | 118.4° | 120.1° |
| O3 | C9 | C10 | H9 | 120.3° | 120.0° |
| O3 | C9 | C10 | H10 | 120.3° | 119.9° |
| O3 | C9 | C10 | C11 | 156.5° | 17.5° |
| O3 | C9 | H9 | H10 | 119.2° | 120.1° |
| O3 | C9 | C10 | H11 | 39.0° | 102.5° |
| C9 | C10 | C11 | H11 | 118.1° | 120.0° |
| C9 | C10 | C11 | H12 | 55.9° | 60.1° |
| C9 | C10 | C11 | H13 | 175.9° | 180.0° |
| C9 | C10 | C11 | H14 | 64.1° | 60.0° |
| C10 | C9 | H9 | H10 | 119.2° | 120.0° |
| C9 | C10 | C12 | H16 | 176.7° | 9.6° |
| C9 | C10 | C12 | H15 | 64.4° | 129.7° |
| 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° | 60.0° |
| C7 | O2 | C8 | H8 | 60.0° | 60.0° |
| C7 | O2 | C8 | H6 | 60.0° | 180.0° |
| C10 | C11 | H12 | H13 | 120.0° | 120.0° |
| C10 | C11 | H12 | H14 | 120.0° | 120.1° |
| C10 | C11 | H13 | H14 | 120.0° | 120.1° |
| C11 | C10 | C9 | H9 | 83.3° | 102.6° |
| C11 | C10 | C9 | H10 | 36.2° | 137.4° |
| C11 | C10 | C12 | H16 | 61.8° | 110.4° |
| C11 | C10 | C12 | H15 | 57.1° | 9.7° |
| O2 | C8 | H7 | H8 | 120.0° | 120.0° |
| O2 | C8 | H7 | H6 | 120.0° | 120.0° |
| O2 | C8 | H8 | H6 | 120.0° | 120.0° |
| H12 | C11 | H13 | H14 | 120.0° | 120.0° |
| H12 | C11 | C10 | H11 | 62.2° | 59.9° |
| H13 | C11 | C10 | H11 | 57.8° | 60.0° |
| H14 | C11 | C10 | H11 | 177.8° | 180.0° |
| H7 | C8 | H8 | H6 | 120.0° | 120.0° |
| H9 | C9 | C10 | H11 | 159.3° | 137.5° |
| H10 | C9 | C10 | H11 | 81.3° | 17.4° |
| H11 | C10 | C12 | H16 | 55.5° | 129.7° |
| H11 | C10 | C12 | H15 | 174.4° | 110.2° |
| H2 | C1 | H3 | H1 | 120.0° | 120.0° |
| H19 | C15 | C16 | H21 | 155.4° | 92.4° |
| H19 | C15 | C16 | H20 | 35.8° | 147.8° |
| H18 | C15 | C16 | H21 | 84.8° | 27.6° |
| H18 | C15 | C16 | H20 | 155.5° | 92.2° |
| H21 | C16 | C17 | H23 | 66.9° | 152.4° |
| H21 | C16 | C17 | H22 | 173.9° | 32.2° |
| H20 | C16 | C17 | H23 | 52.7° | 87.8° |
| H20 | C16 | C17 | H22 | 66.5° | 152.0° |
| H24 | C19 | C20 | H26 | 53.7° | 71.3° |
| H24 | C19 | C20 | H25 | 65.9° | 47.7° |
| H26 | C20 | C21 | H27 | 177.8° | 61.0° |
| H26 | C20 | C21 | H28 | 61.8° | 59.3° |
| H25 | C20 | C21 | H27 | 62.6° | 180.0° |
| H25 | C20 | C21 | H28 | 57.8° | 59.8° |
| H27 | C21 | C22 | H29 | 62.0° | 62.2° |
| H27 | C21 | C22 | H30 | 178.0° | 177.3° |
| H28 | C21 | C22 | H29 | 58.4° | 58.2° |
| H28 | C21 | C22 | H30 | 61.6° | 62.4° |
| H29 | C22 | C23 | H31 | 51.7° | 53.8° |
| H29 | C22 | C23 | H32 | 66.9° | 65.8° |
| H30 | C22 | C23 | H31 | 171.8° | 174.4° |
| H30 | C22 | C23 | H32 | 53.2° | 54.9° |
| H33 | C25 | C26 | H34 | 171.7° | 62.9° |
| H34 | C26 | C27 | H36 | 58.1° | 180.0° |
| H34 | C26 | C27 | H35 | 177.5° | 60.0° |
| H34 | C26 | C31 | H44 | 55.8° | 60.0° |
| H34 | C26 | C31 | H43 | 174.1° | 179.9° |
| H36 | C27 | C28 | H37 | 58.3° | 59.9° |
| H36 | C27 | C28 | H38 | 60.7° | 180.0° |
| H35 | C27 | C28 | H37 | 61.2° | 60.1° |
| H35 | C27 | C28 | H38 | 179.8° | 60.0° |
| H37 | C28 | C29 | H39 | 57.8° | 59.9° |
| H37 | C28 | C29 | H40 | 62.8° | 60.0° |
| H38 | C28 | C29 | H39 | 176.7° | 180.0° |
| H38 | C28 | C29 | H40 | 56.2° | 60.1° |
| H39 | C29 | C30 | H41 | 52.1° | 60.0° |
| H39 | C29 | C30 | H42 | 171.1° | 180.0° |
| H40 | C29 | C30 | H41 | 68.4° | 60.0° |
| H40 | C29 | C30 | H42 | 50.6° | 60.0° |
| H41 | C30 | C31 | H44 | 66.1° | 60.0° |
| H41 | C30 | C31 | H43 | 52.1° | 60.0° |
| H42 | C30 | C31 | H44 | 52.9° | 60.0° |
| H42 | C30 | C31 | H43 | 171.1° | 180.0° |
