A1D8K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C6 | C1 | sing | 1.53Å | 1.51Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C28 | C27 | doub | 1.39Å | 1.37Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | N1 | sing | 1.47Å | 1.46Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C27 | C26 | sing | 1.39Å | 1.38Å | Aromatic |
| N1 | C7 | sing | 1.47Å | 1.46Å | |
| C29 | N8 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| N8 | C25 | sing | 1.32Å | 1.33Å | Aromatic |
| C25 | C24 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C24 | N7 | sing | 1.47Å | 1.46Å | |
| C9 | N2 | sing | 1.47Å | 1.46Å | |
| N7 | C19 | sing | 1.47Å | 1.45Å | |
| N2 | C10 | sing | 1.47Å | 1.45Å | |
| C21 | C22 | sing | 1.53Å | 1.48Å | |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C19 | C18 | sing | 1.51Å | 1.51Å | |
| C22 | N4 | sing | 1.46Å | 1.45Å | |
| C16 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| N5 | C23 | sing | 1.37Å | 1.33Å | |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| N4 | C23 | doub | 1.30Å | 1.29Å | |
| C23 | N6 | sing | 1.37Å | 1.32Å | |
| C18 | O1 | doub | 1.21Å | 1.22Å | |
| C18 | N3 | sing | 1.35Å | 1.32Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C17 | sing | 1.51Å | 1.50Å | |
| N3 | C17 | sing | 1.46Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | H23 | sing | 1.08Å | 1.08Å | |
| C28 | H24 | sing | 1.08Å | 1.08Å | |
| C29 | H25 | sing | 1.08Å | 1.08Å | |
| C3 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| C4 | H28 | sing | 1.09Å | 1.10Å | |
| C5 | H29 | sing | 1.09Å | 1.10Å | |
| C5 | H30 | sing | 1.09Å | 1.10Å | |
| C6 | H31 | sing | 1.09Å | 1.10Å | |
| C6 | H32 | sing | 1.09Å | 1.10Å | |
| C7 | H33 | sing | 1.09Å | 1.10Å | |
| C7 | H34 | sing | 1.09Å | 1.10Å | |
| C8 | H35 | sing | 1.09Å | 1.10Å | |
| C8 | H36 | sing | 1.09Å | 1.10Å | |
| C9 | H37 | sing | 1.09Å | 1.10Å | |
| C9 | H38 | sing | 1.09Å | 1.10Å | |
| N1 | H39 | sing | 1.01Å | 1.00Å | |
| N2 | H41 | sing | 1.01Å | 1.00Å | |
| N3 | H43 | sing | 0.97Å | 1.00Å | |
| N5 | H45 | sing | 0.97Å | 1.00Å | |
| N6 | H46 | sing | 0.97Å | 1.00Å | |
| N6 | H47 | sing | 0.97Å | 1.00Å | |
| N7 | H48 | sing | 1.01Å | 1.00Å | |
| N5 | H40 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | C4 | 110.2° | 109.5° |
| C5 | C6 | C1 | 110.4° | 109.4° |
| C6 | C5 | H29 | 109.3° | 109.5° |
| C6 | C5 | H30 | 109.3° | 109.5° |
| C5 | C6 | H31 | 109.2° | 109.4° |
| C5 | C6 | H32 | 109.3° | 109.4° |
| C5 | C4 | N1 | 111.6° | 109.5° |
| C5 | C4 | C3 | 110.3° | 109.5° |
| C5 | C4 | H28 | 108.1° | 109.5° |
| C4 | C5 | H29 | 109.3° | 109.5° |
| C4 | C5 | H30 | 109.3° | 109.4° |
| C6 | C1 | C2 | 110.1° | 109.5° |
| C6 | C1 | H1 | 109.3° | 109.5° |
| C6 | C1 | H2 | 109.3° | 109.5° |
| C1 | C6 | H31 | 109.3° | 109.5° |
| C1 | C6 | H32 | 109.2° | 109.5° |
| C1 | C2 | C3 | 110.5° | 109.5° |
| C2 | C1 | H1 | 109.3° | 109.5° |
| C2 | C1 | H2 | 109.3° | 109.4° |
| C1 | C2 | H12 | 109.2° | 109.5° |
| C1 | C2 | H13 | 109.2° | 109.5° |
| C27 | C28 | C29 | 118.2° | 119.1° |
| C28 | C27 | C26 | 119.2° | 118.4° |
| C28 | C27 | H23 | 120.4° | 120.8° |
| C27 | C28 | H24 | 120.9° | 120.4° |
| C28 | C29 | N8 | 123.7° | 120.8° |
| C29 | C28 | H24 | 120.9° | 120.5° |
| C28 | C29 | H25 | 118.2° | 119.6° |
| N1 | C4 | C3 | 109.8° | 109.5° |
| C4 | N1 | C7 | 114.6° | 111.0° |
| N1 | C4 | H28 | 108.8° | 109.5° |
| C4 | N1 | H39 | 108.2° | 111.0° |
| C4 | C3 | C2 | 110.7° | 109.5° |
| C4 | C3 | H26 | 109.2° | 109.5° |
| C4 | C3 | H27 | 109.2° | 109.5° |
| C3 | C4 | H28 | 108.2° | 109.4° |
| C27 | C26 | C25 | 119.1° | 119.2° |
| C27 | C26 | H22 | 120.4° | 120.4° |
| C26 | C27 | H23 | 120.4° | 120.8° |
| N1 | C7 | C8 | 112.1° | 109.5° |
| N1 | C7 | H33 | 108.8° | 109.5° |
| N1 | C7 | H34 | 108.8° | 109.5° |
| C7 | N1 | H39 | 108.2° | 111.1° |
| C29 | N8 | C25 | 117.7° | 121.7° |
| N8 | C29 | H25 | 118.1° | 119.6° |
| C3 | C2 | H12 | 109.2° | 109.5° |
| C3 | C2 | H13 | 109.2° | 109.4° |
| C2 | C3 | H26 | 109.1° | 109.5° |
| C2 | C3 | H27 | 109.2° | 109.4° |
| C26 | C25 | N8 | 122.0° | 120.8° |
| C26 | C25 | C24 | 121.8° | 119.6° |
| C25 | C26 | H22 | 120.5° | 120.4° |
| N8 | C25 | C24 | 116.2° | 119.6° |
| C25 | C24 | N7 | 112.0° | 109.5° |
| C25 | C24 | H20 | 108.8° | 109.5° |
| C25 | C24 | H21 | 108.8° | 109.5° |
| C7 | C8 | C9 | 113.8° | 109.5° |
| C8 | C7 | H33 | 108.8° | 109.4° |
| C8 | C7 | H34 | 108.8° | 109.4° |
| C7 | C8 | H35 | 108.4° | 109.5° |
| C7 | C8 | H36 | 108.3° | 109.4° |
| C8 | C9 | N2 | 111.6° | 109.5° |
| C9 | C8 | H35 | 108.4° | 109.5° |
| C9 | C8 | H36 | 108.4° | 109.5° |
| C8 | C9 | H37 | 108.9° | 109.5° |
| C8 | C9 | H38 | 108.9° | 109.4° |
| C24 | N7 | C19 | 116.9° | 111.0° |
| N7 | C24 | H20 | 108.9° | 109.5° |
| N7 | C24 | H21 | 108.8° | 109.5° |
| C24 | N7 | H48 | 107.6° | 111.0° |
| C9 | N2 | C10 | 114.0° | 111.0° |
| N2 | C9 | H37 | 109.0° | 109.5° |
| N2 | C9 | H38 | 109.0° | 109.5° |
| C9 | N2 | H41 | 108.3° | 111.0° |
| N7 | C19 | C20 | 105.4° | 109.5° |
| N7 | C19 | C18 | 111.8° | 109.5° |
| N7 | C19 | H11 | 110.3° | 109.5° |
| C19 | N7 | H48 | 107.5° | 111.0° |
| N2 | C10 | C11 | 113.2° | 109.5° |
| N2 | C10 | H3 | 108.5° | 109.5° |
| N2 | C10 | H4 | 108.5° | 109.5° |
| C10 | N2 | H41 | 108.4° | 111.0° |
| C22 | C21 | C20 | 106.7° | 109.5° |
| C21 | C22 | N4 | 109.0° | 109.5° |
| C22 | C21 | H16 | 110.2° | 109.5° |
| C22 | C21 | H17 | 110.2° | 109.4° |
| C21 | C22 | H18 | 109.6° | 109.5° |
| C21 | C22 | H19 | 109.6° | 109.4° |
| C21 | C20 | C19 | 112.1° | 109.4° |
| C21 | C20 | H14 | 108.8° | 109.5° |
| C21 | C20 | H15 | 108.8° | 109.5° |
| C20 | C21 | H16 | 110.2° | 109.5° |
| C20 | C21 | H17 | 110.2° | 109.5° |
| C10 | C11 | C16 | 120.4° | 120.0° |
| C10 | C11 | C12 | 121.1° | 120.1° |
| C11 | C10 | H3 | 108.5° | 109.5° |
| C11 | C10 | H4 | 108.5° | 109.4° |
| C20 | C19 | C18 | 110.3° | 109.4° |
| C20 | C19 | H11 | 109.4° | 109.5° |
| C19 | C20 | H14 | 108.8° | 109.4° |
| C19 | C20 | H15 | 108.8° | 109.4° |
| C19 | C18 | O1 | 120.1° | 120.0° |
| C19 | C18 | N3 | 117.6° | 120.0° |
| C18 | C19 | H11 | 109.4° | 109.5° |
| C22 | N4 | C23 | 114.2° | 120.0° |
| N4 | C22 | H18 | 109.6° | 109.5° |
| N4 | C22 | H19 | 109.6° | 109.4° |
| C11 | C16 | C15 | 120.6° | 120.0° |
| C16 | C11 | C12 | 118.5° | 120.0° |
| C11 | C16 | H8 | 119.7° | 120.0° |
| C16 | C15 | C14 | 120.8° | 120.0° |
| C16 | C15 | H7 | 119.6° | 120.0° |
| C15 | C16 | H8 | 119.7° | 120.0° |
| N5 | C23 | N4 | 123.5° | 120.0° |
| N5 | C23 | N6 | 118.5° | 120.0° |
| C23 | N5 | H45 | 120.0° | 120.0° |
| C23 | N5 | H40 | 120.0° | 120.0° |
| C11 | C12 | C13 | 120.8° | 120.0° |
| C11 | C12 | H5 | 119.6° | 120.0° |
| C15 | C14 | C13 | 118.7° | 120.0° |
| C15 | C14 | C17 | 120.0° | 120.0° |
| C14 | C15 | H7 | 119.6° | 120.0° |
| N4 | C23 | N6 | 118.0° | 120.0° |
| C23 | N6 | H46 | 120.0° | 120.0° |
| C23 | N6 | H47 | 120.0° | 120.0° |
| O1 | C18 | N3 | 122.3° | 120.0° |
| C18 | N3 | C17 | 120.9° | 120.0° |
| C18 | N3 | H43 | 119.5° | 120.0° |
| C12 | C13 | C14 | 120.6° | 120.0° |
| C13 | C12 | H5 | 119.6° | 120.0° |
| C12 | C13 | H6 | 119.7° | 120.0° |
| C13 | C14 | C17 | 121.3° | 120.0° |
| C14 | C13 | H6 | 119.7° | 120.0° |
| C14 | C17 | N3 | 111.4° | 109.5° |
| C14 | C17 | H9 | 109.0° | 109.5° |
| C14 | C17 | H10 | 109.0° | 109.4° |
| N3 | C17 | H9 | 109.0° | 109.5° |
| N3 | C17 | H10 | 109.0° | 109.5° |
| C17 | N3 | H43 | 119.5° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H9 | C17 | H10 | 109.5° | 109.4° |
| H12 | C2 | H13 | 109.5° | 109.4° |
| H14 | C20 | H15 | 109.5° | 109.5° |
| H16 | C21 | H17 | 109.5° | 109.4° |
| H18 | C22 | H19 | 109.5° | 109.5° |
| H20 | C24 | H21 | 109.5° | 109.4° |
| H26 | C3 | H27 | 109.5° | 109.5° |
| H29 | C5 | H30 | 109.5° | 109.4° |
| H31 | C6 | H32 | 109.5° | 109.5° |
| H33 | C7 | H34 | 109.5° | 109.5° |
| H35 | C8 | H36 | 109.5° | 109.4° |
| H37 | C9 | H38 | 109.4° | 109.5° |
| H45 | N5 | H40 | 120.0° | 120.0° |
| H46 | N6 | H47 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | C4 | H29 | 120.1° | 120.0° |
| C6 | C5 | C4 | H30 | 120.1° | 120.0° |
| C5 | C6 | C1 | H31 | 120.1° | 119.9° |
| C5 | C6 | C1 | H32 | 120.2° | 120.0° |
| C5 | C6 | C1 | C2 | 62.8° | 60.0° |
| C6 | C5 | C4 | N1 | 130.5° | 180.0° |
| C6 | C5 | C4 | C3 | 8.2° | 60.0° |
| C5 | C6 | C1 | H1 | 57.3° | 60.0° |
| C5 | C6 | C1 | H2 | 177.1° | 180.0° |
| C6 | C5 | C4 | H28 | 109.9° | 60.0° |
| C6 | C5 | H29 | H30 | 119.7° | 120.0° |
| C5 | C6 | H31 | H32 | 119.6° | 120.0° |
| C4 | C5 | C6 | C1 | 52.9° | 60.0° |
| C5 | C4 | N1 | C3 | 122.6° | 120.0° |
| C5 | C4 | N1 | H28 | 119.2° | 120.0° |
| C5 | C4 | C3 | H28 | 118.0° | 120.0° |
| C5 | C4 | N1 | C7 | 141.5° | 84.9° |
| C5 | C4 | C3 | C2 | 61.6° | 60.0° |
| C5 | C4 | C3 | H26 | 58.6° | 180.0° |
| C5 | C4 | C3 | H27 | 178.2° | 60.0° |
| C4 | C5 | H29 | H30 | 119.7° | 119.9° |
| C4 | C5 | C6 | H31 | 173.0° | 180.0° |
| C4 | C5 | C6 | H32 | 67.3° | 60.0° |
| C5 | C4 | N1 | H39 | 20.8° | 151.0° |
| C6 | C1 | C2 | H1 | 120.1° | 120.0° |
| C6 | C1 | C2 | H2 | 120.1° | 120.0° |
| C6 | C1 | C2 | C3 | 9.2° | 60.1° |
| C6 | C1 | H1 | H2 | 119.7° | 120.0° |
| C6 | C1 | C2 | H12 | 129.4° | 60.0° |
| C6 | C1 | C2 | H13 | 110.9° | 180.0° |
| C1 | C6 | C5 | H29 | 173.0° | 180.0° |
| C1 | C6 | C5 | H30 | 67.2° | 60.0° |
| C1 | C6 | H31 | H32 | 119.6° | 120.1° |
| C1 | C2 | C3 | C4 | 51.8° | 60.0° |
| C1 | C2 | C3 | H12 | 120.1° | 120.1° |
| C1 | C2 | C3 | H13 | 120.2° | 120.0° |
| C2 | C1 | H1 | H2 | 119.7° | 120.0° |
| C1 | C2 | H12 | H13 | 119.5° | 120.0° |
| C1 | C2 | C3 | H26 | 68.4° | 179.9° |
| C1 | C2 | C3 | H27 | 171.9° | 60.0° |
| C2 | C1 | C6 | H31 | 177.0° | 180.0° |
| C2 | C1 | C6 | H32 | 57.3° | 59.9° |
| C27 | C28 | C29 | H24 | 180.0° | 180.0° |
| C28 | C27 | C26 | H23 | 180.0° | 179.9° |
| C27 | C28 | C29 | N8 | 0.5° | 0.2° |
| C28 | C27 | C26 | C25 | 0.3° | 0.1° |
| C28 | C27 | C26 | H22 | 179.7° | 180.0° |
| C27 | C28 | C29 | H25 | 179.5° | 180.0° |
| C29 | C28 | C27 | C26 | 0.4° | 0.1° |
| C28 | C29 | N8 | H25 | 180.0° | 179.8° |
| C28 | C29 | N8 | C25 | 0.1° | 0.5° |
| C29 | C28 | C27 | H23 | 179.6° | 180.0° |
| N1 | C4 | C3 | H28 | 118.6° | 120.0° |
| C4 | N1 | C7 | H39 | 120.7° | 124.0° |
| N1 | C4 | C3 | C2 | 175.1° | 180.0° |
| C4 | N1 | C7 | C8 | 139.7° | 180.0° |
| N1 | C4 | C3 | H26 | 64.8° | 60.0° |
| N1 | C4 | C3 | H27 | 54.9° | 60.1° |
| N1 | C4 | C5 | H29 | 10.4° | 59.9° |
| N1 | C4 | C5 | H30 | 109.4° | 60.0° |
| C4 | N1 | C7 | H33 | 99.9° | 60.1° |
| C4 | N1 | C7 | H34 | 19.3° | 60.0° |
| C3 | C4 | N1 | C7 | 18.9° | 155.0° |
| C4 | C3 | C2 | H26 | 120.2° | 120.1° |
| C4 | C3 | C2 | H27 | 120.2° | 120.0° |
| C4 | C3 | C2 | H12 | 68.4° | 60.0° |
| C4 | C3 | C2 | H13 | 171.9° | 180.0° |
| C4 | C3 | H26 | H27 | 119.5° | 120.0° |
| C3 | C4 | C5 | H29 | 111.9° | 180.0° |
| C3 | C4 | C5 | H30 | 128.3° | 60.0° |
| C3 | C4 | N1 | H39 | 101.9° | 31.0° |
| C27 | C26 | C25 | H22 | 180.0° | 179.9° |
| C27 | C26 | C25 | N8 | 0.9° | 0.2° |
| C27 | C26 | C25 | C24 | 179.6° | 180.0° |
| C26 | C27 | C28 | H24 | 179.6° | 180.0° |
| N1 | C7 | C8 | H33 | 120.4° | 120.0° |
| N1 | C7 | C8 | H34 | 120.4° | 120.1° |
| N1 | C7 | C8 | C9 | 110.1° | 180.0° |
| C7 | N1 | C4 | H28 | 99.3° | 35.1° |
| N1 | C7 | H33 | H34 | 118.8° | 120.1° |
| N1 | C7 | C8 | H35 | 129.3° | 59.9° |
| N1 | C7 | C8 | H36 | 10.6° | 60.0° |
| C29 | N8 | C25 | C26 | 0.8° | 0.5° |
| C29 | N8 | C25 | C24 | 179.6° | 179.7° |
| N8 | C29 | C28 | H24 | 179.5° | 179.7° |
| C3 | C2 | C1 | H1 | 110.9° | 60.0° |
| C3 | C2 | C1 | H2 | 129.3° | 180.0° |
| C3 | C2 | H12 | H13 | 119.6° | 120.0° |
| C2 | C3 | H26 | H27 | 119.4° | 119.9° |
| C2 | C3 | C4 | H28 | 56.5° | 60.0° |
| C26 | C25 | N8 | C24 | 178.8° | 179.8° |
| C26 | C25 | C24 | N7 | 52.1° | 95.0° |
| C26 | C25 | C24 | H20 | 172.5° | 145.0° |
| C26 | C25 | C24 | H21 | 68.3° | 25.1° |
| C25 | C26 | C27 | H23 | 179.7° | 180.0° |
| N8 | C25 | C24 | N7 | 126.7° | 85.2° |
| N8 | C25 | C24 | H20 | 6.3° | 34.8° |
| N8 | C25 | C24 | H21 | 113.0° | 154.8° |
| N8 | C25 | C26 | H22 | 179.1° | 179.7° |
| C25 | N8 | C29 | H25 | 179.9° | 179.7° |
| C25 | C24 | N7 | H20 | 120.4° | 120.0° |
| C25 | C24 | N7 | H21 | 120.4° | 120.0° |
| C25 | C24 | N7 | C19 | 177.2° | 175.4° |
| C25 | C24 | H20 | H21 | 118.8° | 120.0° |
| C24 | C25 | C26 | H22 | 0.4° | 0.1° |
| C25 | C24 | N7 | H48 | 56.1° | 51.5° |
| C7 | C8 | C9 | H35 | 120.6° | 120.0° |
| C7 | C8 | C9 | H36 | 120.6° | 120.0° |
| C7 | C8 | C9 | N2 | 107.9° | 180.0° |
| C8 | C7 | H33 | H34 | 118.8° | 119.9° |
| C7 | C8 | H35 | H36 | 118.0° | 119.9° |
| C7 | C8 | C9 | H37 | 131.7° | 60.0° |
| C7 | C8 | C9 | H38 | 12.4° | 60.0° |
| C8 | C7 | N1 | H39 | 19.0° | 56.0° |
| C8 | C9 | N2 | H37 | 120.3° | 120.0° |
| C8 | C9 | N2 | H38 | 120.3° | 119.9° |
| C8 | C9 | N2 | C10 | 178.5° | 180.0° |
| C9 | C8 | C7 | H33 | 10.3° | 60.0° |
| C9 | C8 | C7 | H34 | 129.5° | 59.9° |
| C9 | C8 | H35 | H36 | 118.1° | 120.0° |
| C8 | C9 | H37 | H38 | 119.0° | 119.9° |
| C8 | C9 | N2 | H41 | 60.8° | 56.0° |
| C24 | N7 | C19 | H48 | 121.1° | 123.9° |
| C24 | N7 | C19 | C20 | 138.7° | 157.5° |
| C24 | N7 | C19 | C18 | 101.4° | 82.6° |
| C24 | N7 | C19 | H11 | 20.6° | 37.5° |
| N7 | C24 | H20 | H21 | 118.9° | 120.0° |
| C9 | N2 | C10 | H41 | 120.6° | 123.9° |
| C9 | N2 | C10 | C11 | 116.0° | 180.0° |
| C9 | N2 | C10 | H3 | 123.4° | 60.0° |
| C9 | N2 | C10 | H4 | 4.5° | 60.0° |
| N2 | C9 | C8 | H35 | 12.7° | 60.0° |
| N2 | C9 | C8 | H36 | 131.4° | 60.0° |
| N2 | C9 | H37 | H38 | 119.1° | 120.0° |
| N7 | C19 | C20 | C21 | 20.1° | 65.0° |
| N7 | C19 | C20 | C18 | 120.9° | 120.0° |
| N7 | C19 | C20 | H11 | 118.7° | 120.0° |
| N7 | C19 | C18 | H11 | 122.5° | 120.1° |
| N7 | C19 | C18 | O1 | 24.6° | 25.9° |
| N7 | C19 | C18 | N3 | 154.2° | 154.1° |
| N7 | C19 | C20 | H14 | 140.5° | 55.0° |
| N7 | C19 | C20 | H15 | 100.3° | 175.0° |
| C19 | N7 | C24 | H20 | 62.5° | 64.6° |
| C19 | N7 | C24 | H21 | 56.8° | 55.4° |
| N2 | C10 | C11 | H3 | 120.5° | 120.0° |
| N2 | C10 | C11 | H4 | 120.5° | 120.0° |
| N2 | C10 | C11 | C16 | 142.9° | 90.3° |
| N2 | C10 | C11 | C12 | 37.2° | 90.0° |
| N2 | C10 | H3 | H4 | 118.3° | 120.0° |
| C10 | N2 | C9 | H37 | 58.2° | 60.0° |
| C10 | N2 | C9 | H38 | 61.1° | 60.0° |
| C22 | C21 | C20 | H16 | 119.6° | 120.0° |
| C22 | C21 | C20 | H17 | 119.5° | 120.0° |
| C22 | C21 | C20 | C19 | 170.9° | 180.0° |
| C21 | C22 | N4 | H18 | 119.9° | 120.0° |
| C21 | C22 | N4 | H19 | 120.0° | 119.9° |
| C21 | C22 | N4 | C23 | 139.5° | 114.4° |
| C22 | C21 | C20 | H14 | 68.7° | 60.0° |
| C22 | C21 | C20 | H15 | 50.5° | 60.1° |
| C22 | C21 | H16 | H17 | 121.3° | 120.0° |
| C21 | C22 | H18 | H19 | 120.2° | 120.0° |
| C21 | C20 | C19 | H14 | 120.4° | 120.0° |
| C21 | C20 | C19 | H15 | 120.4° | 120.0° |
| C21 | C20 | C19 | C18 | 141.0° | 175.0° |
| C20 | C21 | C22 | N4 | 24.5° | 180.0° |
| C21 | C20 | C19 | H11 | 98.5° | 55.0° |
| C21 | C20 | H14 | H15 | 118.8° | 120.1° |
| C20 | C21 | H16 | H17 | 121.3° | 120.0° |
| C20 | C21 | C22 | H18 | 144.4° | 60.0° |
| C20 | C21 | C22 | H19 | 95.5° | 60.0° |
| C10 | C11 | C16 | C12 | 179.9° | 179.8° |
| C10 | C11 | C16 | C15 | 179.8° | 179.7° |
| C10 | C11 | C12 | C13 | 179.6° | 180.0° |
| C11 | C10 | H3 | H4 | 118.3° | 120.0° |
| C10 | C11 | C12 | H5 | 0.4° | 0.0° |
| C10 | C11 | C16 | H8 | 0.2° | 0.1° |
| C11 | C10 | N2 | H41 | 4.6° | 56.1° |
| C20 | C19 | C18 | H11 | 120.5° | 120.0° |
| C20 | C19 | C18 | O1 | 92.4° | 94.1° |
| C20 | C19 | C18 | N3 | 88.8° | 86.0° |
| C19 | C20 | H14 | H15 | 118.8° | 120.0° |
| C19 | C20 | C21 | H16 | 51.4° | 60.0° |
| C19 | C20 | C21 | H17 | 69.5° | 60.0° |
| C20 | C19 | N7 | H48 | 17.7° | 33.6° |
| C19 | C18 | O1 | N3 | 178.7° | 180.0° |
| C19 | C18 | N3 | C17 | 138.9° | 180.0° |
| C18 | C19 | C20 | H14 | 98.6° | 65.0° |
| C18 | C19 | C20 | H15 | 20.6° | 55.0° |
| C19 | C18 | N3 | H43 | 41.1° | 0.1° |
| C18 | C19 | N7 | H48 | 137.6° | 153.6° |
| C22 | N4 | C23 | N5 | 12.6° | 175.9° |
| C22 | N4 | C23 | N6 | 168.0° | 4.1° |
| N4 | C22 | C21 | H16 | 144.0° | 59.9° |
| N4 | C22 | C21 | H17 | 95.1° | 60.0° |
| N4 | C22 | H18 | H19 | 120.2° | 120.0° |
| C11 | C16 | C15 | H8 | 180.0° | 179.8° |
| C11 | C16 | C15 | C14 | 0.3° | 0.5° |
| C16 | C11 | C12 | C13 | 0.5° | 0.2° |
| C16 | C11 | C10 | H3 | 96.6° | 29.8° |
| C16 | C11 | C10 | H4 | 22.3° | 149.8° |
| C16 | C11 | C12 | H5 | 179.5° | 179.8° |
| C11 | C16 | C15 | H7 | 179.7° | 179.8° |
| C15 | C16 | C11 | C12 | 0.3° | 0.5° |
| C16 | C15 | C14 | H7 | 180.0° | 179.7° |
| C16 | C15 | C14 | C13 | 0.7° | 0.3° |
| C16 | C15 | C14 | C17 | 179.9° | 179.8° |
| N5 | C23 | N4 | N6 | 179.4° | 180.0° |
| C23 | N5 | H45 | H40 | 180.0° | 180.0° |
| N5 | C23 | N6 | H46 | 179.5° | 174.6° |
| N5 | C23 | N6 | H47 | 0.6° | 5.3° |
| C11 | C12 | C13 | H5 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C12 | C11 | C10 | H3 | 83.3° | 150.0° |
| C12 | C11 | C10 | H4 | 157.8° | 30.0° |
| C11 | C12 | C13 | H6 | 179.9° | 179.9° |
| C12 | C11 | C16 | H8 | 179.7° | 179.7° |
| C15 | C14 | C13 | C12 | 0.5° | 0.0° |
| C15 | C14 | C13 | C17 | 179.2° | 180.0° |
| C15 | C14 | C17 | N3 | 5.8° | 90.0° |
| C15 | C14 | C13 | H6 | 179.5° | 179.9° |
| C14 | C15 | C16 | H8 | 179.7° | 179.7° |
| C15 | C14 | C17 | H9 | 126.1° | 30.0° |
| C15 | C14 | C17 | H10 | 114.5° | 149.9° |
| C23 | N4 | C22 | H18 | 19.6° | 5.6° |
| C23 | N4 | C22 | H19 | 100.5° | 125.6° |
| N4 | C23 | N5 | H45 | 179.4° | 180.0° |
| N4 | C23 | N6 | H46 | 0.0° | 5.4° |
| N4 | C23 | N6 | H47 | 180.0° | 174.7° |
| N4 | C23 | N5 | H40 | 0.6° | 0.0° |
| N6 | C23 | N5 | H45 | 0.0° | 0.0° |
| C23 | N6 | H46 | H47 | 180.0° | 179.9° |
| N6 | C23 | N5 | H40 | 180.0° | 180.0° |
| O1 | C18 | N3 | C17 | 39.8° | 0.0° |
| O1 | C18 | C19 | H11 | 147.1° | 146.0° |
| O1 | C18 | N3 | H43 | 140.2° | 180.0° |
| C18 | N3 | C17 | C14 | 113.0° | 180.0° |
| C18 | N3 | C17 | H43 | 180.0° | 179.9° |
| C18 | N3 | C17 | H9 | 7.3° | 60.0° |
| C18 | N3 | C17 | H10 | 126.7° | 60.0° |
| N3 | C18 | C19 | H11 | 31.7° | 34.0° |
| C12 | C13 | C14 | H6 | 180.0° | 179.9° |
| C12 | C13 | C14 | C17 | 179.7° | 180.0° |
| C13 | C14 | C17 | N3 | 175.1° | 90.0° |
| C14 | C13 | C12 | H5 | 179.9° | 180.0° |
| C13 | C14 | C15 | H7 | 179.3° | 180.0° |
| C13 | C14 | C17 | H9 | 54.8° | 150.0° |
| C13 | C14 | C17 | H10 | 64.6° | 30.0° |
| C14 | C17 | N3 | H9 | 120.3° | 120.0° |
| C14 | C17 | N3 | H10 | 120.3° | 120.0° |
| C17 | C14 | C13 | H6 | 0.3° | 0.0° |
| C17 | C14 | C15 | H7 | 0.2° | 0.0° |
| C14 | C17 | H9 | H10 | 119.1° | 119.9° |
| C14 | C17 | N3 | H43 | 67.0° | 0.0° |
| N3 | C17 | H9 | H10 | 119.1° | 120.0° |
| H1 | C1 | C2 | H12 | 9.3° | 180.0° |
| H1 | C1 | C2 | H13 | 128.9° | 60.0° |
| H1 | C1 | C6 | H31 | 62.9° | 60.0° |
| H1 | C1 | C6 | H32 | 177.4° | 179.9° |
| H2 | C1 | C2 | H12 | 110.5° | 60.0° |
| H2 | C1 | C2 | H13 | 9.2° | 60.0° |
| H2 | C1 | C6 | H31 | 56.9° | 60.1° |
| H2 | C1 | C6 | H32 | 62.8° | 60.0° |
| H3 | C10 | N2 | H41 | 115.9° | 63.9° |
| H4 | C10 | N2 | H41 | 125.2° | 176.1° |
| H5 | C12 | C13 | H6 | 0.1° | 0.1° |
| H7 | C15 | C16 | H8 | 0.3° | 0.0° |
| H9 | C17 | N3 | H43 | 172.8° | 120.1° |
| H10 | C17 | N3 | H43 | 53.3° | 119.9° |
| H11 | C19 | C20 | H14 | 21.9° | 175.0° |
| H11 | C19 | C20 | H15 | 141.1° | 65.0° |
| H11 | C19 | N7 | H48 | 100.4° | 86.4° |
| H12 | C2 | C3 | H26 | 171.5° | 60.0° |
| H12 | C2 | C3 | H27 | 51.8° | 180.0° |
| H13 | C2 | C3 | H26 | 51.8° | 60.0° |
| H13 | C2 | C3 | H27 | 67.9° | 60.0° |
| H14 | C20 | C21 | H16 | 171.8° | 179.9° |
| H14 | C20 | C21 | H17 | 50.9° | 60.0° |
| H15 | C20 | C21 | H16 | 69.0° | 60.0° |
| H15 | C20 | C21 | H17 | 170.1° | 179.9° |
| H16 | C21 | C22 | H18 | 96.1° | 180.0° |
| H16 | C21 | C22 | H19 | 24.1° | 60.0° |
| H17 | C21 | C22 | H18 | 24.9° | 60.0° |
| H17 | C21 | C22 | H19 | 145.0° | 179.9° |
| H20 | C24 | N7 | H48 | 176.5° | 171.5° |
| H21 | C24 | N7 | H48 | 64.2° | 68.5° |
| H22 | C26 | C27 | H23 | 0.3° | 0.1° |
| H23 | C27 | C28 | H24 | 0.4° | 0.1° |
| H24 | C28 | C29 | H25 | 0.5° | 0.1° |
| H26 | C3 | C4 | H28 | 176.6° | 60.0° |
| H27 | C3 | C4 | H28 | 63.7° | 180.0° |
| H28 | C4 | C5 | H29 | 130.0° | 60.1° |
| H28 | C4 | C5 | H30 | 10.2° | 180.0° |
| H28 | C4 | N1 | H39 | 139.9° | 89.0° |
| H29 | C5 | C6 | H31 | 66.9° | 60.0° |
| H29 | C5 | C6 | H32 | 52.8° | 60.0° |
| H30 | C5 | C6 | H31 | 52.9° | 60.0° |
| H30 | C5 | C6 | H32 | 172.6° | 180.0° |
| H33 | C7 | C8 | H35 | 110.3° | 60.0° |
| H33 | C7 | C8 | H36 | 131.0° | 180.0° |
| H33 | C7 | N1 | H39 | 139.4° | 63.9° |
| H34 | C7 | C8 | H35 | 8.9° | 180.0° |
| H34 | C7 | C8 | H36 | 109.8° | 60.1° |
| H34 | C7 | N1 | H39 | 101.4° | 176.0° |
| H35 | C8 | C9 | H37 | 107.7° | 180.0° |
| H35 | C8 | C9 | H38 | 133.0° | 60.0° |
| H36 | C8 | C9 | H37 | 11.1° | 60.0° |
| H36 | C8 | C9 | H38 | 108.2° | 180.0° |
| H37 | C9 | N2 | H41 | 178.9° | 176.0° |
| H38 | C9 | N2 | H41 | 59.5° | 63.9° |
