A1INW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C21 | sing | 1.53Å | 1.50Å | |
| C20 | C19 | sing | 1.52Å | 1.51Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.49Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| C29 | C30 | sing | 1.53Å | 1.48Å | |
| C19 | N4 | sing | 1.46Å | 1.46Å | |
| C19 | C18 | sing | 1.51Å | 1.53Å | |
| N4 | C23 | sing | 1.46Å | 1.46Å | |
| N4 | C24 | sing | 1.35Å | 1.36Å | |
| O6 | C24 | doub | 1.21Å | 1.22Å | |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C26 | C31 | sing | 1.53Å | 1.50Å | |
| O5 | C18 | doub | 1.21Å | 1.18Å | |
| C18 | O4 | sing | 1.34Å | 1.32Å | |
| C25 | C4 | sing | 1.50Å | 1.54Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| O4 | C17 | sing | 1.45Å | 1.47Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C15 | sing | 1.53Å | 1.51Å | |
| C3 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C13 | doub | 1.35Å | 1.37Å | Aromatic |
| C12 | N1 | sing | 1.35Å | 1.34Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.51Å | 1.49Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| C13 | N2 | sing | 1.34Å | 1.35Å | Aromatic |
| C6 | O3 | sing | 1.36Å | 1.38Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | N1 | sing | 1.47Å | 1.46Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | O3 | sing | 1.43Å | 1.44Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| N1 | N3 | sing | 1.29Å | 1.35Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.38Å | |
| C1 | O1 | sing | 1.43Å | 1.40Å | |
| C7 | O2 | sing | 1.36Å | 1.40Å | |
| N2 | N3 | doub | 1.29Å | 1.32Å | Aromatic |
| O2 | C8 | sing | 1.43Å | 1.43Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | 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 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | 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° | 110.5° |
| C20 | C21 | C22 | 108.9° | 109.1° |
| C21 | C20 | H26 | 109.1° | 109.3° |
| C21 | C20 | H25 | 109.2° | 109.3° |
| C20 | C21 | H27 | 109.6° | 109.5° |
| C20 | C21 | H28 | 109.6° | 109.5° |
| C20 | C19 | N4 | 113.8° | 110.0° |
| C20 | C19 | C18 | 108.1° | 110.4° |
| C20 | C19 | H24 | 108.8° | 109.1° |
| C19 | C20 | H26 | 109.2° | 109.3° |
| C19 | C20 | H25 | 109.1° | 109.3° |
| C27 | C28 | C29 | 117.3° | 109.5° |
| C28 | C27 | C26 | 109.9° | 109.5° |
| C28 | C27 | H36 | 109.3° | 109.4° |
| C28 | C27 | H35 | 109.4° | 109.5° |
| C27 | C28 | H37 | 107.5° | 109.5° |
| C27 | C28 | H38 | 107.5° | 109.5° |
| C28 | C29 | C30 | 108.7° | 109.5° |
| C29 | C28 | H37 | 107.5° | 109.4° |
| C29 | C28 | H38 | 107.5° | 109.5° |
| C28 | C29 | H39 | 109.7° | 109.5° |
| C28 | C29 | H40 | 109.7° | 109.4° |
| C27 | C26 | C25 | 111.2° | 109.5° |
| C27 | C26 | C31 | 108.1° | 109.5° |
| C27 | C26 | H34 | 108.1° | 109.5° |
| C26 | C27 | H36 | 109.4° | 109.5° |
| C26 | C27 | H35 | 109.3° | 109.5° |
| C21 | C22 | C23 | 110.4° | 108.9° |
| C22 | C21 | H27 | 109.6° | 109.6° |
| C22 | C21 | H28 | 109.6° | 109.5° |
| C21 | C22 | H29 | 109.2° | 109.5° |
| C21 | C22 | H30 | 109.2° | 109.6° |
| C22 | C23 | N4 | 112.6° | 109.9° |
| C23 | C22 | H29 | 109.2° | 109.6° |
| C23 | C22 | H30 | 109.2° | 109.6° |
| C22 | C23 | H31 | 108.7° | 109.4° |
| C22 | C23 | H32 | 108.7° | 109.4° |
| C29 | C30 | C31 | 113.1° | 109.5° |
| C30 | C29 | H39 | 109.7° | 109.5° |
| C30 | C29 | H40 | 109.7° | 109.5° |
| C29 | C30 | H41 | 108.6° | 109.4° |
| C29 | C30 | H42 | 108.6° | 109.5° |
| N4 | C19 | C18 | 108.1° | 110.1° |
| C19 | N4 | C23 | 119.2° | 120.5° |
| C19 | N4 | C24 | 115.1° | 119.6° |
| N4 | C19 | H24 | 109.5° | 108.7° |
| C19 | C18 | O5 | 122.4° | 120.6° |
| C19 | C18 | O4 | 112.3° | 119.1° |
| C18 | C19 | H24 | 108.5° | 108.6° |
| C23 | N4 | C24 | 124.5° | 119.9° |
| N4 | C23 | H31 | 108.7° | 109.4° |
| N4 | C23 | H32 | 108.7° | 109.3° |
| N4 | C24 | O6 | 121.3° | 120.3° |
| N4 | C24 | C25 | 116.5° | 119.5° |
| O6 | C24 | C25 | 122.1° | 120.2° |
| C24 | C25 | C26 | 111.5° | 109.3° |
| C24 | C25 | C4 | 108.1° | 110.2° |
| C24 | C25 | H33 | 109.0° | 109.3° |
| C25 | C26 | C31 | 112.3° | 109.5° |
| C26 | C25 | C4 | 111.1° | 109.4° |
| C26 | C25 | H33 | 108.7° | 109.3° |
| C25 | C26 | H34 | 108.3° | 109.4° |
| C26 | C31 | C30 | 116.9° | 109.5° |
| C31 | C26 | H34 | 108.7° | 109.5° |
| C26 | C31 | H44 | 107.6° | 109.5° |
| C26 | C31 | H43 | 107.6° | 109.5° |
| O5 | C18 | O4 | 125.2° | 120.3° |
| C18 | O4 | C17 | 115.0° | 117.5° |
| C25 | C4 | C5 | 120.1° | 120.4° |
| C25 | C4 | C3 | 118.8° | 119.6° |
| C4 | C25 | H33 | 108.5° | 109.3° |
| C31 | C30 | H41 | 108.6° | 109.5° |
| C31 | C30 | H42 | 108.6° | 109.5° |
| C30 | C31 | H44 | 107.6° | 109.5° |
| C30 | C31 | H43 | 107.6° | 109.5° |
| O4 | C17 | C15 | 110.0° | 109.3° |
| O4 | C17 | H23 | 109.4° | 109.5° |
| O4 | C17 | H22 | 109.3° | 109.5° |
| C5 | C4 | C3 | 121.1° | 120.0° |
| C4 | C5 | C6 | 119.7° | 120.1° |
| C4 | C5 | H5 | 120.1° | 119.9° |
| C4 | C3 | C2 | 119.1° | 120.3° |
| C4 | C3 | H4 | 120.4° | 119.8° |
| C5 | C6 | O3 | 127.0° | 120.5° |
| C5 | C6 | C7 | 120.1° | 119.9° |
| C6 | C5 | H5 | 120.2° | 119.9° |
| C17 | C15 | C14 | 111.5° | 109.9° |
| C17 | C15 | C16 | 110.5° | 109.4° |
| C17 | C15 | H18 | 108.6° | 109.3° |
| C15 | C17 | H23 | 109.3° | 109.5° |
| C15 | C17 | H22 | 109.3° | 109.5° |
| C3 | C2 | C7 | 119.7° | 119.6° |
| C3 | C2 | O1 | 126.2° | 120.2° |
| C2 | C3 | H4 | 120.4° | 119.8° |
| C13 | C12 | N1 | 105.5° | 106.2° |
| C12 | C13 | C14 | 130.1° | 126.4° |
| C12 | C13 | N2 | 107.7° | 106.5° |
| C13 | C12 | H15 | 127.3° | 126.9° |
| C12 | N1 | C11 | 128.6° | 125.6° |
| C12 | N1 | N3 | 110.5° | 108.3° |
| N1 | C12 | H15 | 127.3° | 126.9° |
| C15 | C14 | C13 | 113.3° | 109.5° |
| C14 | C15 | C16 | 109.9° | 109.4° |
| C15 | C14 | H17 | 108.5° | 109.5° |
| C15 | C14 | H16 | 108.5° | 109.4° |
| C14 | C15 | H18 | 108.4° | 109.4° |
| C14 | C13 | N2 | 122.0° | 127.1° |
| C13 | C14 | H17 | 108.5° | 109.4° |
| C13 | C14 | H16 | 108.5° | 109.5° |
| C16 | C15 | H18 | 108.0° | 109.4° |
| C15 | C16 | H21 | 109.5° | 109.5° |
| C15 | C16 | H19 | 109.5° | 109.5° |
| C15 | C16 | H20 | 109.5° | 109.5° |
| C13 | N2 | N3 | 109.7° | 108.9° |
| O3 | C6 | C7 | 112.9° | 119.6° |
| C6 | O3 | C9 | 120.8° | 117.6° |
| C6 | C7 | C2 | 120.2° | 120.0° |
| C6 | C7 | O2 | 119.0° | 120.0° |
| N1 | C11 | C10 | 111.6° | 109.5° |
| C11 | N1 | N3 | 120.8° | 126.1° |
| N1 | C11 | H14 | 108.9° | 109.5° |
| N1 | C11 | H13 | 108.9° | 109.4° |
| C11 | C10 | C9 | 110.7° | 109.7° |
| C10 | C11 | H14 | 108.9° | 109.5° |
| C10 | C11 | H13 | 109.0° | 109.5° |
| C11 | C10 | H12 | 109.2° | 109.5° |
| C11 | C10 | H11 | 109.2° | 109.5° |
| O3 | C9 | C10 | 107.8° | 109.3° |
| O3 | C9 | H9 | 109.9° | 109.5° |
| O3 | C9 | H10 | 109.9° | 109.5° |
| C10 | C9 | H9 | 109.9° | 109.5° |
| C10 | C9 | H10 | 109.9° | 109.5° |
| C9 | C10 | H12 | 109.2° | 109.4° |
| C9 | C10 | H11 | 109.2° | 109.4° |
| N1 | N3 | N2 | 106.4° | 110.1° |
| C7 | C2 | O1 | 113.8° | 120.2° |
| C2 | C7 | O2 | 120.6° | 120.0° |
| C2 | O1 | C1 | 115.8° | 117.0° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C1 | H1 | 109.5° | 109.4° |
| C7 | O2 | C8 | 109.7° | 117.0° |
| O2 | C8 | H7 | 109.5° | 109.4° |
| O2 | C8 | H8 | 109.5° | 109.5° |
| O2 | C8 | H6 | 109.4° | 109.5° |
| H17 | C14 | H16 | 109.5° | 109.5° |
| H14 | C11 | H13 | 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 | 109.4° | 109.6° |
| H12 | C10 | H11 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H1 | 109.5° | 109.4° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H21 | C16 | H19 | 109.5° | 109.5° |
| H21 | C16 | H20 | 109.5° | 109.4° |
| H19 | C16 | H20 | 109.4° | 109.5° |
| H23 | C17 | H22 | 109.5° | 109.5° |
| H26 | C20 | H25 | 109.4° | 109.2° |
| H27 | C21 | H28 | 109.5° | 109.6° |
| H29 | C22 | H30 | 109.5° | 109.6° |
| H31 | C23 | H32 | 109.5° | 109.5° |
| H36 | C27 | H35 | 109.5° | 109.5° |
| H37 | C28 | H38 | 109.4° | 109.5° |
| H39 | C29 | H40 | 109.4° | 109.5° |
| H41 | C30 | H42 | 109.5° | 109.4° |
| 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° | 120.2° |
| C21 | C20 | C19 | H25 | 120.2° | 120.3° |
| C20 | C21 | C22 | H27 | 119.9° | 119.9° |
| C20 | C21 | C22 | H28 | 119.9° | 119.8° |
| C20 | C21 | C22 | C23 | 60.1° | 62.2° |
| C21 | C20 | C19 | N4 | 50.1° | 50.9° |
| C21 | C20 | C19 | C18 | 70.0° | 70.8° |
| C21 | C20 | C19 | H24 | 172.4° | 169.9° |
| C21 | C20 | H26 | H25 | 119.4° | 119.5° |
| C20 | C21 | H27 | H28 | 120.3° | 120.2° |
| C20 | C21 | C22 | H29 | 179.7° | 177.9° |
| C20 | C21 | C22 | H30 | 60.1° | 57.6° |
| C19 | C20 | C21 | C22 | 60.9° | 61.1° |
| C20 | C19 | N4 | C18 | 120.0° | 121.9° |
| C20 | C19 | N4 | H24 | 122.0° | 119.3° |
| C20 | C19 | C18 | H24 | 117.8° | 119.5° |
| C20 | C19 | N4 | C23 | 40.0° | 47.2° |
| C20 | C19 | N4 | C24 | 152.2° | 133.2° |
| C20 | C19 | C18 | O5 | 59.4° | 44.2° |
| C20 | C19 | C18 | O4 | 117.1° | 135.7° |
| C19 | C20 | H26 | H25 | 119.4° | 119.5° |
| C19 | C20 | C21 | H27 | 59.0° | 58.8° |
| C19 | C20 | C21 | H28 | 179.2° | 179.1° |
| C27 | C28 | C29 | H37 | 121.1° | 120.0° |
| C27 | C28 | C29 | H38 | 121.1° | 120.0° |
| C28 | C27 | C26 | H36 | 120.1° | 119.9° |
| C28 | C27 | C26 | H35 | 120.1° | 120.0° |
| C27 | C28 | C29 | C30 | 53.8° | 60.0° |
| C28 | C27 | C26 | C25 | 174.8° | 180.0° |
| C28 | C27 | C26 | C31 | 51.1° | 60.0° |
| C28 | C27 | C26 | H34 | 66.4° | 60.1° |
| C28 | C27 | H36 | H35 | 119.8° | 120.0° |
| C27 | C28 | H37 | H38 | 116.4° | 120.0° |
| C27 | C28 | C29 | H39 | 66.1° | 60.0° |
| C27 | C28 | C29 | H40 | 173.7° | 179.9° |
| C29 | C28 | C27 | C26 | 56.4° | 60.0° |
| C28 | C29 | C30 | H39 | 119.9° | 120.0° |
| C28 | C29 | C30 | H40 | 119.9° | 119.9° |
| C28 | C29 | C30 | C31 | 48.2° | 60.0° |
| C29 | C28 | C27 | H36 | 176.5° | 60.0° |
| C29 | C28 | C27 | H35 | 63.6° | 180.0° |
| C29 | C28 | H37 | H38 | 116.4° | 120.0° |
| C28 | C29 | H39 | H40 | 120.4° | 120.0° |
| C28 | C29 | C30 | H41 | 168.7° | 180.0° |
| C28 | C29 | C30 | H42 | 72.4° | 60.0° |
| C27 | C26 | C25 | C24 | 66.2° | 59.0° |
| C27 | C26 | C25 | C31 | 121.3° | 120.0° |
| C27 | C26 | C25 | H34 | 118.7° | 120.0° |
| C27 | C26 | C31 | H34 | 117.1° | 120.0° |
| C27 | C26 | C25 | C4 | 173.1° | 61.8° |
| C27 | C26 | C31 | C30 | 51.8° | 60.0° |
| C27 | C26 | C25 | H33 | 53.9° | 178.6° |
| C26 | C27 | H36 | H35 | 119.8° | 120.0° |
| C26 | C27 | C28 | H37 | 177.6° | 180.0° |
| C26 | C27 | C28 | H38 | 64.7° | 60.0° |
| C27 | C26 | C31 | H44 | 172.9° | 179.9° |
| C27 | C26 | C31 | H43 | 69.3° | 60.0° |
| C21 | C22 | C23 | H29 | 120.1° | 119.8° |
| C21 | C22 | C23 | H30 | 120.2° | 119.8° |
| C21 | C22 | C23 | N4 | 48.3° | 54.0° |
| C22 | C21 | C20 | H26 | 59.3° | 178.6° |
| C22 | C21 | C20 | H25 | 178.9° | 59.2° |
| C22 | C21 | H27 | H28 | 120.3° | 120.2° |
| C21 | C22 | H29 | H30 | 119.6° | 120.3° |
| C21 | C22 | C23 | H31 | 72.1° | 66.2° |
| C21 | C22 | C23 | H32 | 168.8° | 173.9° |
| C22 | C23 | N4 | C19 | 39.1° | 49.1° |
| C22 | C23 | N4 | H31 | 120.5° | 120.1° |
| C22 | C23 | N4 | H32 | 120.4° | 120.1° |
| C22 | C23 | N4 | C24 | 154.3° | 131.3° |
| C23 | C22 | C21 | H27 | 59.8° | 57.7° |
| C23 | C22 | C21 | H28 | 180.0° | 178.0° |
| C23 | C22 | H29 | H30 | 119.6° | 120.4° |
| C22 | C23 | H31 | H32 | 118.6° | 119.9° |
| C29 | C30 | C31 | C26 | 52.2° | 60.0° |
| C29 | C30 | C31 | H41 | 120.5° | 120.0° |
| C29 | C30 | C31 | H42 | 120.5° | 120.1° |
| C30 | C29 | C28 | H37 | 174.9° | 179.9° |
| C30 | C29 | C28 | H38 | 67.4° | 60.0° |
| C30 | C29 | H39 | H40 | 120.3° | 120.0° |
| C29 | C30 | H41 | H42 | 118.4° | 120.0° |
| C29 | C30 | C31 | H44 | 173.2° | 179.9° |
| C29 | C30 | C31 | H43 | 68.9° | 60.0° |
| N4 | C19 | C18 | H24 | 118.6° | 118.9° |
| C19 | N4 | C23 | C24 | 166.6° | 179.6° |
| C19 | N4 | C24 | O6 | 0.2° | 0.3° |
| C19 | N4 | C24 | C25 | 176.7° | 179.7° |
| N4 | C19 | C18 | O5 | 177.0° | 77.4° |
| N4 | C19 | C18 | O4 | 6.5° | 102.7° |
| N4 | C19 | C20 | H26 | 70.1° | 171.1° |
| N4 | C19 | C20 | H25 | 170.3° | 69.4° |
| C19 | N4 | C23 | H31 | 81.4° | 71.0° |
| C19 | N4 | C23 | H32 | 159.5° | 169.2° |
| C18 | C19 | N4 | C23 | 80.0° | 74.7° |
| C18 | C19 | N4 | C24 | 87.8° | 104.9° |
| C19 | C18 | O5 | O4 | 176.0° | 179.9° |
| C19 | C18 | O4 | C17 | 173.8° | 177.6° |
| C18 | C19 | C20 | H26 | 169.8° | 49.4° |
| C18 | C19 | C20 | H25 | 50.3° | 168.9° |
| C23 | N4 | C24 | O6 | 167.3° | 179.9° |
| C23 | N4 | C24 | C25 | 9.6° | 0.1° |
| C23 | N4 | C19 | H24 | 162.0° | 166.5° |
| N4 | C23 | C22 | H29 | 168.5° | 173.8° |
| N4 | C23 | C22 | H30 | 71.8° | 65.9° |
| N4 | C23 | H31 | H32 | 118.6° | 119.7° |
| N4 | C24 | O6 | C25 | 176.8° | 180.0° |
| N4 | C24 | C25 | C26 | 150.4° | 88.3° |
| N4 | C24 | C25 | C4 | 87.2° | 151.5° |
| C24 | N4 | C19 | H24 | 30.2° | 13.9° |
| C24 | N4 | C23 | H31 | 85.2° | 108.6° |
| C24 | N4 | C23 | H32 | 33.9° | 11.2° |
| N4 | C24 | C25 | H33 | 30.4° | 31.3° |
| O6 | C24 | C25 | C26 | 32.7° | 91.7° |
| O6 | C24 | C25 | C4 | 89.7° | 28.5° |
| O6 | C24 | C25 | H33 | 152.7° | 148.7° |
| C24 | C25 | C26 | C4 | 120.6° | 120.7° |
| C24 | C25 | C26 | H33 | 120.1° | 119.6° |
| C24 | C25 | C26 | C31 | 172.4° | 61.0° |
| C24 | C25 | C4 | H33 | 118.0° | 120.2° |
| C24 | C25 | C4 | C5 | 125.1° | 22.1° |
| C24 | C25 | C4 | C3 | 56.9° | 158.2° |
| C24 | C25 | C26 | H34 | 52.4° | 179.0° |
| C25 | C26 | C31 | H34 | 119.8° | 120.0° |
| C26 | C25 | C4 | H33 | 119.4° | 119.6° |
| C25 | C26 | C31 | C30 | 174.9° | 180.0° |
| C26 | C25 | C4 | C5 | 112.2° | 142.3° |
| C26 | C25 | C4 | C3 | 65.7° | 38.0° |
| C25 | C26 | C27 | H36 | 65.1° | 60.1° |
| C25 | C26 | C27 | H35 | 54.7° | 60.0° |
| C25 | C26 | C31 | H44 | 64.0° | 60.0° |
| C25 | C26 | C31 | H43 | 53.8° | 60.0° |
| C31 | C26 | C25 | C4 | 51.8° | 178.2° |
| C26 | C31 | C30 | H44 | 121.1° | 120.0° |
| C26 | C31 | C30 | H43 | 121.1° | 120.0° |
| C31 | C26 | C25 | H33 | 67.4° | 58.6° |
| C31 | C26 | C27 | H36 | 171.1° | 59.9° |
| C31 | C26 | C27 | H35 | 69.0° | 180.0° |
| C26 | C31 | C30 | H41 | 172.7° | 180.0° |
| C26 | C31 | C30 | H42 | 68.3° | 60.0° |
| C26 | C31 | H44 | H43 | 116.6° | 120.0° |
| O5 | C18 | O4 | C17 | 2.6° | 2.3° |
| O5 | C18 | C19 | H24 | 58.4° | 163.7° |
| C18 | O4 | C17 | C15 | 157.6° | 137.3° |
| C18 | O4 | C17 | H23 | 82.3° | 102.7° |
| C18 | O4 | C17 | H22 | 37.5° | 17.4° |
| O4 | C18 | C19 | H24 | 125.1° | 16.2° |
| C25 | C4 | C5 | C3 | 177.9° | 179.8° |
| C25 | C4 | C5 | C6 | 177.8° | 179.6° |
| C25 | C4 | C3 | C2 | 179.3° | 179.6° |
| C25 | C4 | C5 | H5 | 2.2° | 0.3° |
| C25 | C4 | C3 | H4 | 0.7° | 0.5° |
| C4 | C25 | C26 | H34 | 68.2° | 58.2° |
| C30 | C31 | C26 | H34 | 65.3° | 60.0° |
| C31 | C30 | C29 | H39 | 71.8° | 60.0° |
| C31 | C30 | C29 | H40 | 168.1° | 179.9° |
| C31 | C30 | H41 | H42 | 118.4° | 120.0° |
| C30 | C31 | H44 | H43 | 116.7° | 120.0° |
| O4 | C17 | C15 | H23 | 120.1° | 120.0° |
| O4 | C17 | C15 | H22 | 120.1° | 120.0° |
| O4 | C17 | C15 | C14 | 66.8° | 143.3° |
| O4 | C17 | C15 | C16 | 170.7° | 96.5° |
| O4 | C17 | C15 | H18 | 52.5° | 23.2° |
| O4 | C17 | H23 | H22 | 119.7° | 120.1° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 2.8° | 0.2° |
| C4 | C5 | C6 | O3 | 178.6° | 179.6° |
| C4 | C5 | C6 | C7 | 1.7° | 0.0° |
| C5 | C4 | C3 | H4 | 177.2° | 179.7° |
| C5 | C4 | C25 | H33 | 7.1° | 98.1° |
| C3 | C4 | C5 | C6 | 0.1° | 0.1° |
| C4 | C3 | C2 | H4 | 180.0° | 179.9° |
| C4 | C3 | C2 | C7 | 4.0° | 0.1° |
| C4 | C3 | C2 | O1 | 177.3° | 179.9° |
| C3 | C4 | C5 | H5 | 179.9° | 179.9° |
| C3 | C4 | C25 | H33 | 174.9° | 81.6° |
| C5 | C6 | O3 | C7 | 179.6° | 179.7° |
| C5 | C6 | O3 | C9 | 14.7° | 28.9° |
| C5 | C6 | C7 | C2 | 0.5° | 0.1° |
| C5 | C6 | C7 | O2 | 175.4° | 179.8° |
| C17 | C15 | C14 | C16 | 122.8° | 120.2° |
| C17 | C15 | C14 | H18 | 119.4° | 120.0° |
| C17 | C15 | C14 | C13 | 151.9° | 90.2° |
| C17 | C15 | C16 | H18 | 118.6° | 119.6° |
| C17 | C15 | C14 | H17 | 87.5° | 29.8° |
| C17 | C15 | C14 | H16 | 31.3° | 149.8° |
| C17 | C15 | C16 | H21 | 180.0° | 179.5° |
| C17 | C15 | C16 | H19 | 60.0° | 59.5° |
| C17 | C15 | C16 | H20 | 60.0° | 60.6° |
| C15 | C17 | H23 | H22 | 119.7° | 120.0° |
| C3 | C2 | C7 | C6 | 2.4° | 0.1° |
| C3 | C2 | C7 | O1 | 174.1° | 180.0° |
| C3 | C2 | O1 | C1 | 11.3° | 0.0° |
| C3 | C2 | C7 | O2 | 172.4° | 179.9° |
| C13 | C12 | N1 | H15 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 105.8° | 57.5° |
| C12 | C13 | C14 | N2 | 173.8° | 179.9° |
| C13 | C12 | N1 | C11 | 179.6° | 179.9° |
| C13 | C12 | N1 | N3 | 3.8° | 0.0° |
| C12 | C13 | N2 | N3 | 1.0° | 0.1° |
| C12 | C13 | C14 | H17 | 133.7° | 62.5° |
| C12 | C13 | C14 | H16 | 14.8° | 177.5° |
| N1 | C12 | C13 | C14 | 177.4° | 179.9° |
| N1 | C12 | C13 | N2 | 2.9° | 0.1° |
| C12 | N1 | C11 | N3 | 175.4° | 179.9° |
| C12 | N1 | C11 | C10 | 108.2° | 58.2° |
| C12 | N1 | N3 | N2 | 3.2° | 0.1° |
| C12 | N1 | C11 | H14 | 131.5° | 61.8° |
| C12 | N1 | C11 | H13 | 12.1° | 178.2° |
| C15 | C14 | C13 | H17 | 120.6° | 120.0° |
| C15 | C14 | C13 | H16 | 120.6° | 119.9° |
| C14 | C15 | C16 | H18 | 118.0° | 119.9° |
| C15 | C14 | C13 | N2 | 68.0° | 122.4° |
| C15 | C14 | H17 | H16 | 118.2° | 120.0° |
| C14 | C15 | C16 | H21 | 56.6° | 60.0° |
| C14 | C15 | C16 | H19 | 176.6° | 180.0° |
| C14 | C15 | C16 | H20 | 63.5° | 59.9° |
| C14 | C15 | C17 | H23 | 173.1° | 23.4° |
| C14 | C15 | C17 | H22 | 53.2° | 96.7° |
| C13 | C14 | C15 | C16 | 85.3° | 149.6° |
| C14 | C13 | N2 | N3 | 176.0° | 179.8° |
| C13 | C14 | H17 | H16 | 118.2° | 120.0° |
| C14 | C13 | C12 | H15 | 2.6° | 0.1° |
| C13 | C14 | C15 | H18 | 32.4° | 29.8° |
| C16 | C15 | C14 | H17 | 35.3° | 90.4° |
| C16 | C15 | C14 | H16 | 154.1° | 29.6° |
| C15 | C16 | H21 | H19 | 120.0° | 120.0° |
| C15 | C16 | H21 | H20 | 120.0° | 120.0° |
| C15 | C16 | H19 | H20 | 120.0° | 120.0° |
| C16 | C15 | C17 | H23 | 50.6° | 143.6° |
| C16 | C15 | C17 | H22 | 69.2° | 23.5° |
| C13 | N2 | N3 | N1 | 1.3° | 0.1° |
| N2 | C13 | C14 | H17 | 52.5° | 117.6° |
| N2 | C13 | C14 | H16 | 171.4° | 2.5° |
| N2 | C13 | C12 | H15 | 177.1° | 180.0° |
| C6 | O3 | C9 | C10 | 151.2° | 146.1° |
| O3 | C6 | C7 | C2 | 179.8° | 179.5° |
| O3 | C6 | C7 | O2 | 4.9° | 0.5° |
| O3 | C6 | C5 | H5 | 1.4° | 0.4° |
| C6 | O3 | C9 | H9 | 31.4° | 94.0° |
| C6 | O3 | C9 | H10 | 89.1° | 26.1° |
| C7 | C6 | O3 | C9 | 165.6° | 151.4° |
| C6 | C7 | C2 | O2 | 174.8° | 180.0° |
| C6 | C7 | C2 | O1 | 176.5° | 179.9° |
| C6 | C7 | O2 | C8 | 93.0° | 90.0° |
| C7 | C6 | C5 | H5 | 178.3° | 179.9° |
| N1 | C11 | C10 | H14 | 120.3° | 120.0° |
| N1 | C11 | C10 | H13 | 120.3° | 120.0° |
| N1 | C11 | C10 | C9 | 67.1° | 106.5° |
| C11 | N1 | N3 | N2 | 179.4° | 179.9° |
| N1 | C11 | H14 | H13 | 119.0° | 119.9° |
| N1 | C11 | C10 | H12 | 53.1° | 13.6° |
| N1 | C11 | C10 | H11 | 172.7° | 133.5° |
| C11 | N1 | C12 | H15 | 0.4° | 0.1° |
| C11 | C10 | C9 | O3 | 91.5° | 131.7° |
| C11 | C10 | C9 | H12 | 120.2° | 120.1° |
| C11 | C10 | C9 | H11 | 120.2° | 120.1° |
| C10 | C11 | N1 | N3 | 67.3° | 121.9° |
| C10 | C11 | H14 | H13 | 119.1° | 120.0° |
| C11 | C10 | C9 | H9 | 28.3° | 11.7° |
| C11 | C10 | C9 | H10 | 148.8° | 108.4° |
| C11 | C10 | H12 | H11 | 119.4° | 119.9° |
| O3 | C9 | C10 | H9 | 119.8° | 119.9° |
| O3 | C9 | C10 | H10 | 119.8° | 120.0° |
| O3 | C9 | H9 | H10 | 120.7° | 120.1° |
| O3 | C9 | C10 | H12 | 28.7° | 108.3° |
| O3 | C9 | C10 | H11 | 148.3° | 11.6° |
| C9 | C10 | C11 | H14 | 172.6° | 13.6° |
| C9 | C10 | C11 | H13 | 53.2° | 133.6° |
| C10 | C9 | H9 | H10 | 120.8° | 120.1° |
| C9 | C10 | H12 | H11 | 119.4° | 119.9° |
| N3 | N1 | C11 | H14 | 53.1° | 118.1° |
| N3 | N1 | C11 | H13 | 172.4° | 1.9° |
| N3 | N1 | C12 | H15 | 176.2° | 180.0° |
| C7 | C2 | O1 | C1 | 175.1° | 180.0° |
| C2 | C7 | O2 | C8 | 92.2° | 90.0° |
| C7 | C2 | C3 | H4 | 176.0° | 179.8° |
| O1 | C2 | C7 | O2 | 1.7° | 0.1° |
| O1 | C2 | C3 | H4 | 2.6° | 0.2° |
| C2 | O1 | C1 | H2 | 180.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 179.9° |
| C2 | O1 | C1 | H1 | 60.0° | 59.9° |
| O1 | C1 | H2 | H3 | 120.0° | 120.1° |
| O1 | C1 | H2 | H1 | 120.0° | 119.9° |
| O1 | C1 | H3 | H1 | 120.0° | 120.0° |
| C7 | O2 | C8 | H7 | 180.0° | 180.0° |
| C7 | O2 | C8 | H8 | 60.0° | 60.0° |
| C7 | O2 | C8 | H6 | 60.0° | 60.0° |
| O2 | C8 | H7 | H8 | 120.0° | 120.0° |
| O2 | C8 | H7 | H6 | 120.0° | 120.0° |
| O2 | C8 | H8 | H6 | 120.0° | 120.0° |
| H17 | C14 | C15 | H18 | 153.0° | 149.8° |
| H16 | C14 | C15 | H18 | 88.1° | 90.2° |
| H14 | C11 | C10 | H12 | 67.2° | 133.6° |
| H14 | C11 | C10 | H11 | 52.4° | 106.5° |
| H13 | C11 | C10 | H12 | 173.4° | 106.4° |
| H13 | C11 | C10 | H11 | 67.0° | 13.5° |
| H7 | C8 | H8 | H6 | 120.0° | 120.0° |
| H9 | C9 | C10 | H12 | 148.5° | 131.8° |
| H9 | C9 | C10 | H11 | 91.9° | 108.3° |
| H10 | C9 | C10 | H12 | 91.0° | 11.7° |
| H10 | C9 | C10 | H11 | 28.6° | 131.5° |
| H2 | C1 | H3 | H1 | 120.0° | 120.0° |
| H18 | C15 | C16 | H21 | 61.4° | 59.8° |
| H18 | C15 | C16 | H19 | 58.6° | 60.2° |
| H18 | C15 | C16 | H20 | 178.5° | 179.8° |
| H18 | C15 | C17 | H23 | 67.6° | 96.7° |
| H18 | C15 | C17 | H22 | 172.5° | 143.2° |
| H21 | C16 | H19 | H20 | 120.0° | 120.0° |
| H24 | C19 | C20 | H26 | 52.2° | 69.8° |
| H24 | C19 | C20 | H25 | 67.4° | 49.7° |
| H26 | C20 | C21 | H27 | 179.2° | 61.4° |
| H26 | C20 | C21 | H28 | 60.6° | 58.8° |
| H25 | C20 | C21 | H27 | 61.2° | 179.1° |
| H25 | C20 | C21 | H28 | 59.0° | 60.6° |
| H27 | C21 | C22 | H29 | 60.4° | 62.2° |
| H27 | C21 | C22 | H30 | 179.9° | 177.5° |
| H28 | C21 | C22 | H29 | 59.9° | 58.1° |
| H28 | C21 | C22 | H30 | 59.8° | 62.2° |
| H29 | C22 | C23 | H31 | 48.0° | 53.7° |
| H29 | C22 | C23 | H32 | 71.1° | 66.2° |
| H30 | C22 | C23 | H31 | 167.7° | 174.0° |
| H30 | C22 | C23 | H32 | 48.6° | 54.1° |
| H33 | C25 | C26 | H34 | 172.6° | 61.4° |
| H34 | C26 | C27 | H36 | 53.6° | 180.0° |
| H34 | C26 | C27 | H35 | 173.5° | 60.0° |
| H34 | C26 | C31 | H44 | 55.7° | 60.0° |
| H34 | C26 | C31 | H43 | 173.6° | 180.0° |
| H36 | C27 | C28 | H37 | 62.4° | 60.0° |
| H36 | C27 | C28 | H38 | 55.3° | 180.0° |
| H35 | C27 | C28 | H37 | 57.5° | 60.0° |
| H35 | C27 | C28 | H38 | 175.2° | 60.0° |
| H37 | C28 | C29 | H39 | 55.0° | 60.0° |
| H37 | C28 | C29 | H40 | 65.2° | 60.0° |
| H38 | C28 | C29 | H39 | 172.7° | 180.0° |
| H38 | C28 | C29 | H40 | 52.5° | 60.0° |
| H39 | C29 | C30 | H41 | 48.8° | 60.0° |
| H39 | C29 | C30 | H42 | 167.7° | 180.0° |
| H40 | C29 | C30 | H41 | 71.4° | 60.1° |
| H40 | C29 | C30 | H42 | 47.5° | 59.9° |
| H41 | C30 | C31 | H44 | 66.2° | 60.0° |
| H41 | C30 | C31 | H43 | 51.6° | 60.0° |
| H42 | C30 | C31 | H44 | 52.7° | 60.0° |
| H42 | C30 | C31 | H43 | 170.6° | 179.9° |
