3A4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.48Å | 1.50Å | |
| C5 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| N2 | C27 | sing | 1.34Å | 1.33Å | Aromatic |
| N2 | C28 | doub | 1.30Å | 1.33Å | Aromatic |
| C12 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.35Å | 1.36Å | Aromatic |
| C28 | N3 | sing | 1.35Å | 1.33Å | Aromatic |
| C24 | O1 | doub | 1.21Å | 1.22Å | |
| C24 | C23 | sing | 1.51Å | 1.51Å | |
| C1 | C2 | doub | 1.40Å | 1.38Å | Aromatic |
| C1 | C | sing | 1.48Å | 1.50Å | |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | N3 | sing | 1.37Å | 1.32Å | Aromatic |
| C26 | C25 | sing | 1.51Å | 1.49Å | |
| C23 | C25 | sing | 1.53Å | 1.51Å | |
| C23 | N1 | sing | 1.47Å | 1.47Å | |
| O | C | doub | 1.22Å | 1.20Å | |
| C | N | sing | 1.35Å | 1.32Å | |
| C22 | N1 | sing | 1.47Å | 1.47Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| N | C21 | sing | 1.47Å | 1.46Å | |
| N | C13 | sing | 1.47Å | 1.45Å | |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.50Å | |
| C14 | C19 | sing | 1.53Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C19 | C18 | sing | 1.53Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C24 | H1 | sing | 1.08Å | 1.08Å | |
| C23 | H2 | sing | 1.09Å | 1.10Å | |
| C25 | H3 | sing | 1.09Å | 1.10Å | |
| C25 | H4 | sing | 1.09Å | 1.10Å | |
| N3 | H5 | sing | 0.97Å | 1.00Å | |
| C28 | H6 | sing | 1.08Å | 1.08Å | |
| C27 | H8 | sing | 1.08Å | 1.08Å | |
| N1 | H9 | sing | 1.01Å | 1.00Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C13 | H26 | sing | 1.09Å | 1.10Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.08Å | 1.08Å | |
| C11 | H29 | sing | 1.08Å | 1.08Å | |
| C3 | H30 | sing | 1.08Å | 1.08Å | |
| C2 | H31 | sing | 1.08Å | 1.08Å | |
| C10 | H32 | sing | 1.08Å | 1.08Å | |
| C9 | H33 | sing | 1.08Å | 1.08Å | |
| C8 | H34 | sing | 1.08Å | 1.08Å | |
| C7 | H35 | sing | 1.08Å | 1.08Å | |
| C6 | H36 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | C8 | 120.7° | 120.1° |
| C7 | C6 | C5 | 119.4° | 119.9° |
| C6 | C7 | H35 | 119.7° | 120.0° |
| C7 | C6 | H36 | 120.3° | 120.1° |
| C7 | C8 | C9 | 119.8° | 120.3° |
| C7 | C8 | H34 | 120.1° | 119.8° |
| C8 | C7 | H35 | 119.6° | 119.9° |
| C6 | C5 | C4 | 120.9° | 120.1° |
| C6 | C5 | C10 | 119.5° | 119.7° |
| C5 | C6 | H36 | 120.3° | 120.0° |
| C8 | C9 | C10 | 120.0° | 120.1° |
| C8 | C9 | H33 | 120.0° | 120.0° |
| C9 | C8 | H34 | 120.1° | 119.9° |
| C12 | C11 | C4 | 119.4° | 120.0° |
| C11 | C12 | C1 | 120.6° | 120.0° |
| C11 | C12 | H28 | 119.7° | 120.0° |
| C12 | C11 | H29 | 120.3° | 120.0° |
| C11 | C4 | C5 | 122.7° | 120.0° |
| C11 | C4 | C3 | 119.7° | 120.0° |
| C4 | C11 | H29 | 120.3° | 120.0° |
| C4 | C5 | C10 | 119.6° | 120.2° |
| C5 | C4 | C3 | 117.5° | 120.0° |
| C5 | C10 | C9 | 120.4° | 119.9° |
| C5 | C10 | H32 | 119.8° | 120.1° |
| C9 | C10 | H32 | 119.8° | 120.1° |
| C10 | C9 | H33 | 120.0° | 119.9° |
| C27 | N2 | C28 | 107.9° | 109.2° |
| N2 | C27 | C26 | 107.6° | 108.0° |
| N2 | C27 | H8 | 126.2° | 126.0° |
| N2 | C28 | N3 | 108.7° | 108.7° |
| N2 | C28 | H6 | 125.7° | 125.7° |
| C12 | C1 | C2 | 119.4° | 120.0° |
| C12 | C1 | C | 122.7° | 120.0° |
| C1 | C12 | H28 | 119.7° | 120.0° |
| C4 | C3 | C2 | 120.7° | 120.1° |
| C4 | C3 | H30 | 119.6° | 120.0° |
| C27 | C26 | N3 | 107.4° | 106.8° |
| C27 | C26 | C25 | 127.7° | 126.6° |
| C26 | C27 | H8 | 126.2° | 126.0° |
| C28 | N3 | C26 | 108.3° | 107.2° |
| C28 | N3 | H5 | 125.9° | 126.4° |
| N3 | C28 | H6 | 125.6° | 125.6° |
| O1 | C24 | C23 | 124.8° | 120.0° |
| O1 | C24 | H1 | 117.6° | 120.0° |
| C24 | C23 | C25 | 108.3° | 109.5° |
| C24 | C23 | N1 | 111.9° | 109.4° |
| C23 | C24 | H1 | 117.6° | 120.0° |
| C24 | C23 | H2 | 110.5° | 109.5° |
| C2 | C1 | C | 117.9° | 120.0° |
| C1 | C2 | C3 | 120.3° | 119.9° |
| C1 | C2 | H31 | 119.9° | 120.0° |
| C1 | C | O | 120.7° | 120.0° |
| C1 | C | N | 116.6° | 120.0° |
| C2 | C3 | H30 | 119.7° | 120.0° |
| C3 | C2 | H31 | 119.9° | 120.0° |
| N3 | C26 | C25 | 124.8° | 126.6° |
| C26 | N3 | H5 | 125.8° | 126.4° |
| C26 | C25 | C23 | 115.7° | 109.5° |
| C26 | C25 | H3 | 107.9° | 109.5° |
| C26 | C25 | H4 | 107.9° | 109.5° |
| C25 | C23 | N1 | 104.2° | 109.5° |
| C25 | C23 | H2 | 110.6° | 109.5° |
| C23 | C25 | H3 | 107.9° | 109.5° |
| C23 | C25 | H4 | 107.9° | 109.5° |
| C23 | N1 | C22 | 113.8° | 111.0° |
| N1 | C23 | H2 | 111.1° | 109.5° |
| C23 | N1 | H9 | 108.4° | 111.0° |
| O | C | N | 122.6° | 120.0° |
| C | N | C21 | 124.8° | 120.7° |
| C | N | C13 | 120.9° | 120.6° |
| N1 | C22 | C21 | 108.0° | 109.5° |
| C22 | N1 | H9 | 108.4° | 111.0° |
| N1 | C22 | H11 | 109.8° | 109.5° |
| N1 | C22 | H12 | 109.8° | 109.5° |
| C22 | C21 | N | 113.5° | 109.6° |
| C22 | C21 | C20 | 112.0° | 109.6° |
| C21 | C22 | H11 | 109.8° | 109.5° |
| C21 | C22 | H12 | 109.8° | 109.5° |
| C22 | C21 | H13 | 109.2° | 109.6° |
| C21 | N | C13 | 114.2° | 118.7° |
| N | C21 | C20 | 102.4° | 108.7° |
| N | C21 | H13 | 110.1° | 109.7° |
| N | C13 | C14 | 111.3° | 108.9° |
| N | C13 | H26 | 109.0° | 109.6° |
| N | C13 | H27 | 109.0° | 109.7° |
| C21 | C20 | C19 | 102.0° | 109.4° |
| C20 | C21 | H13 | 109.5° | 109.6° |
| C21 | C20 | H14 | 111.3° | 109.4° |
| C21 | C20 | H15 | 111.3° | 109.5° |
| C13 | C14 | C19 | 113.0° | 109.3° |
| C13 | C14 | C15 | 108.8° | 109.1° |
| C13 | C14 | H25 | 109.2° | 109.8° |
| C14 | C13 | H26 | 109.0° | 109.6° |
| C14 | C13 | H27 | 109.0° | 109.6° |
| C20 | C19 | C14 | 110.8° | 109.5° |
| C20 | C19 | C18 | 112.1° | 109.2° |
| C19 | C20 | H14 | 111.3° | 109.5° |
| C19 | C20 | H15 | 111.3° | 109.5° |
| C20 | C19 | H16 | 108.2° | 109.5° |
| C19 | C14 | C15 | 107.1° | 109.5° |
| C14 | C19 | C18 | 109.3° | 109.5° |
| C14 | C19 | H16 | 108.2° | 109.6° |
| C19 | C14 | H25 | 109.4° | 109.6° |
| C14 | C15 | C16 | 110.1° | 109.5° |
| C14 | C15 | H23 | 109.3° | 109.4° |
| C14 | C15 | H24 | 109.3° | 109.5° |
| C15 | C14 | H25 | 109.3° | 109.5° |
| C19 | C18 | C17 | 108.3° | 109.6° |
| C18 | C19 | H16 | 108.1° | 109.5° |
| C19 | C18 | H17 | 109.8° | 109.5° |
| C19 | C18 | H18 | 109.7° | 109.4° |
| C15 | C16 | C17 | 113.8° | 109.4° |
| C15 | C16 | H21 | 108.4° | 109.5° |
| C15 | C16 | H22 | 108.4° | 109.5° |
| C16 | C15 | H23 | 109.3° | 109.4° |
| C16 | C15 | H24 | 109.3° | 109.4° |
| C18 | C17 | C16 | 110.8° | 109.4° |
| C17 | C18 | H17 | 109.8° | 109.5° |
| C17 | C18 | H18 | 109.8° | 109.5° |
| C18 | C17 | H19 | 109.1° | 109.5° |
| C18 | C17 | H20 | 109.1° | 109.5° |
| C16 | C17 | H19 | 109.1° | 109.5° |
| C16 | C17 | H20 | 109.1° | 109.5° |
| C17 | C16 | H21 | 108.4° | 109.5° |
| C17 | C16 | H22 | 108.4° | 109.5° |
| H3 | C25 | H4 | 109.5° | 109.4° |
| H11 | C22 | H12 | 109.5° | 109.4° |
| H14 | C20 | H15 | 109.5° | 109.5° |
| H17 | C18 | H18 | 109.5° | 109.4° |
| H19 | C17 | H20 | 109.5° | 109.5° |
| H21 | C16 | H22 | 109.5° | 109.5° |
| H23 | C15 | H24 | 109.5° | 109.5° |
| H26 | C13 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | C8 | H35 | 180.0° | 179.4° |
| C7 | C6 | C5 | H36 | 180.0° | 179.4° |
| C6 | C7 | C8 | C9 | 0.5° | 0.3° |
| C7 | C6 | C5 | C4 | 179.0° | 179.7° |
| C7 | C6 | C5 | C10 | 0.9° | 0.6° |
| C6 | C7 | C8 | H34 | 179.4° | 179.7° |
| C8 | C7 | C6 | C5 | 0.8° | 0.6° |
| C7 | C8 | C9 | H34 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.4° | 0.0° |
| C7 | C8 | C9 | H33 | 179.6° | 180.0° |
| C8 | C7 | C6 | H36 | 179.2° | 180.0° |
| C6 | C5 | C4 | C11 | 24.6° | 0.2° |
| C6 | C5 | C4 | C10 | 178.1° | 179.7° |
| C6 | C5 | C10 | C9 | 0.8° | 0.3° |
| C6 | C5 | C4 | C3 | 153.2° | 179.7° |
| C6 | C5 | C10 | H32 | 179.2° | 179.8° |
| C5 | C6 | C7 | H35 | 179.2° | 180.0° |
| C8 | C9 | C10 | C5 | 0.5° | 0.0° |
| C8 | C9 | C10 | H33 | 180.0° | 179.9° |
| C8 | C9 | C10 | H32 | 179.5° | 179.9° |
| C9 | C8 | C7 | H35 | 179.5° | 179.6° |
| C12 | C11 | C4 | H29 | 180.0° | 179.9° |
| C12 | C11 | C4 | C5 | 179.0° | 180.0° |
| C11 | C12 | C1 | H28 | 180.0° | 179.9° |
| C12 | C11 | C4 | C3 | 1.3° | 0.1° |
| C11 | C12 | C1 | C2 | 0.8° | 0.1° |
| C11 | C12 | C1 | C | 179.7° | 179.7° |
| C11 | C4 | C5 | C3 | 177.8° | 179.9° |
| C11 | C4 | C5 | C10 | 157.3° | 179.9° |
| C4 | C11 | C12 | C1 | 1.1° | 0.1° |
| C11 | C4 | C3 | C2 | 1.1° | 0.1° |
| C4 | C11 | C12 | H28 | 178.9° | 180.0° |
| C11 | C4 | C3 | H30 | 178.9° | 179.9° |
| C4 | C5 | C10 | C9 | 178.9° | 180.0° |
| C5 | C4 | C3 | C2 | 179.0° | 179.9° |
| C5 | C4 | C11 | H29 | 1.0° | 0.0° |
| C5 | C4 | C3 | H30 | 1.1° | 0.0° |
| C4 | C5 | C10 | H32 | 1.1° | 0.1° |
| C4 | C5 | C6 | H36 | 1.0° | 0.3° |
| C5 | C10 | C9 | H32 | 180.0° | 179.9° |
| C10 | C5 | C4 | C3 | 24.9° | 0.0° |
| C5 | C10 | C9 | H33 | 179.5° | 180.0° |
| C10 | C5 | C6 | H36 | 179.1° | 180.0° |
| C10 | C9 | C8 | H34 | 179.6° | 180.0° |
| N2 | C27 | C26 | H8 | 180.0° | 179.5° |
| C27 | N2 | C28 | N3 | 0.3° | 0.2° |
| N2 | C27 | C26 | N3 | 1.2° | 0.5° |
| N2 | C27 | C26 | C25 | 179.3° | 179.9° |
| C27 | N2 | C28 | H6 | 179.8° | 179.7° |
| C28 | N2 | C27 | C26 | 0.6° | 0.4° |
| N2 | C28 | N3 | H6 | 180.0° | 180.0° |
| N2 | C28 | N3 | C26 | 1.0° | 0.1° |
| N2 | C28 | N3 | H5 | 179.0° | 180.0° |
| C28 | N2 | C27 | H8 | 179.4° | 180.0° |
| C12 | C1 | C2 | C | 179.0° | 179.7° |
| C12 | C1 | C2 | C3 | 0.5° | 0.1° |
| C12 | C1 | C | O | 69.8° | 150.9° |
| C12 | C1 | C | N | 112.5° | 29.1° |
| C1 | C12 | C11 | H29 | 178.9° | 180.0° |
| C12 | C1 | C2 | H31 | 179.4° | 179.7° |
| C4 | C3 | C2 | C1 | 0.7° | 0.1° |
| C4 | C3 | C2 | H30 | 180.0° | 179.9° |
| C3 | C4 | C11 | H29 | 178.7° | 180.0° |
| C4 | C3 | C2 | H31 | 179.3° | 179.7° |
| C27 | C26 | N3 | C28 | 1.3° | 0.3° |
| C27 | C26 | N3 | C25 | 178.2° | 179.7° |
| C27 | C26 | C25 | C23 | 29.5° | 84.4° |
| C27 | C26 | C25 | H3 | 150.4° | 155.6° |
| C27 | C26 | C25 | H4 | 91.4° | 35.6° |
| C27 | C26 | N3 | H5 | 178.6° | 179.8° |
| C28 | N3 | C26 | H5 | 180.0° | 179.9° |
| C28 | N3 | C26 | C25 | 179.5° | 180.0° |
| O1 | C24 | C23 | H1 | 180.0° | 179.7° |
| O1 | C24 | C23 | C25 | 133.3° | 120.0° |
| O1 | C24 | C23 | N1 | 19.0° | 0.0° |
| O1 | C24 | C23 | H2 | 105.4° | 120.0° |
| C24 | C23 | C25 | C26 | 84.0° | 177.6° |
| C24 | C23 | C25 | N1 | 119.3° | 120.0° |
| C24 | C23 | C25 | H2 | 121.2° | 120.0° |
| C24 | C23 | N1 | H2 | 124.0° | 120.0° |
| C24 | C23 | N1 | C22 | 125.3° | 81.2° |
| C24 | C23 | C25 | H3 | 36.9° | 62.4° |
| C24 | C23 | C25 | H4 | 155.1° | 57.6° |
| C24 | C23 | N1 | H9 | 4.7° | 42.8° |
| C1 | C2 | C3 | H31 | 180.0° | 179.8° |
| C2 | C1 | C | O | 111.2° | 28.8° |
| C2 | C1 | C | N | 66.5° | 151.2° |
| C2 | C1 | C12 | H28 | 179.3° | 180.0° |
| C1 | C2 | C3 | H30 | 179.3° | 179.9° |
| C | C1 | C2 | C3 | 179.6° | 179.8° |
| C1 | C | O | N | 177.5° | 180.0° |
| C1 | C | N | C21 | 130.8° | 174.0° |
| C1 | C | N | C13 | 45.4° | 5.9° |
| C | C1 | C12 | H28 | 0.3° | 0.3° |
| C | C1 | C2 | H31 | 0.4° | 0.0° |
| N3 | C26 | C25 | C23 | 152.7° | 96.0° |
| N3 | C26 | C25 | H3 | 31.8° | 24.0° |
| N3 | C26 | C25 | H4 | 86.4° | 144.0° |
| C26 | N3 | C28 | H6 | 179.0° | 180.0° |
| N3 | C26 | C27 | H8 | 178.8° | 180.0° |
| C26 | C25 | C23 | H3 | 120.9° | 120.0° |
| C26 | C25 | C23 | H4 | 120.9° | 120.0° |
| C26 | C25 | C23 | N1 | 156.7° | 62.5° |
| C26 | C25 | C23 | H2 | 37.2° | 57.6° |
| C26 | C25 | H3 | H4 | 117.2° | 120.0° |
| C25 | C26 | N3 | H5 | 0.4° | 0.1° |
| C25 | C26 | C27 | H8 | 0.7° | 0.3° |
| C25 | C23 | N1 | H2 | 119.1° | 120.0° |
| C25 | C23 | N1 | C22 | 117.9° | 158.9° |
| C25 | C23 | C24 | H1 | 46.7° | 59.7° |
| C23 | C25 | H3 | H4 | 117.2° | 120.0° |
| C25 | C23 | N1 | H9 | 121.5° | 77.2° |
| C23 | N1 | C22 | H9 | 120.6° | 124.0° |
| C23 | N1 | C22 | C21 | 123.2° | 175.5° |
| N1 | C23 | C24 | H1 | 161.0° | 179.7° |
| N1 | C23 | C25 | H3 | 82.4° | 57.6° |
| N1 | C23 | C25 | H4 | 35.8° | 177.5° |
| C23 | N1 | C22 | H11 | 3.4° | 64.5° |
| C23 | N1 | C22 | H12 | 117.1° | 55.5° |
| O | C | N | C21 | 51.6° | 6.0° |
| O | C | N | C13 | 132.2° | 174.1° |
| C | N | C21 | C22 | 7.5° | 6.5° |
| C | N | C21 | C13 | 176.4° | 179.9° |
| C | N | C21 | C20 | 113.4° | 126.3° |
| C | N | C13 | C14 | 133.4° | 126.3° |
| C | N | C21 | H13 | 130.3° | 113.9° |
| C | N | C13 | H26 | 106.3° | 6.5° |
| C | N | C13 | H27 | 13.2° | 113.8° |
| N1 | C22 | C21 | H11 | 119.8° | 120.0° |
| N1 | C22 | C21 | H12 | 119.8° | 120.0° |
| N1 | C22 | C21 | N | 177.2° | 179.8° |
| N1 | C22 | C21 | C20 | 67.6° | 61.0° |
| C22 | N1 | C23 | H2 | 1.2° | 38.8° |
| N1 | C22 | H11 | H12 | 120.7° | 120.0° |
| N1 | C22 | C21 | H13 | 53.9° | 59.3° |
| C22 | C21 | N | C20 | 120.8° | 119.8° |
| C22 | C21 | N | H13 | 122.8° | 120.4° |
| C22 | C21 | N | C13 | 168.9° | 173.5° |
| C22 | C21 | C20 | H13 | 121.3° | 120.3° |
| C22 | C21 | C20 | C19 | 163.0° | 174.6° |
| C21 | C22 | N1 | H9 | 116.2° | 51.5° |
| C21 | C22 | H11 | H12 | 120.6° | 120.0° |
| C22 | C21 | C20 | H14 | 78.2° | 54.6° |
| C22 | C21 | C20 | H15 | 44.2° | 65.5° |
| N | C21 | C20 | H13 | 116.8° | 119.9° |
| C21 | N | C13 | C14 | 50.0° | 53.7° |
| N | C21 | C20 | C19 | 75.1° | 54.8° |
| N | C21 | C22 | H11 | 57.4° | 59.8° |
| N | C21 | C22 | H12 | 63.0° | 60.2° |
| N | C21 | C20 | H14 | 43.6° | 65.2° |
| N | C21 | C20 | H15 | 166.1° | 174.8° |
| C21 | N | C13 | H26 | 70.3° | 173.6° |
| C21 | N | C13 | H27 | 170.3° | 66.1° |
| C13 | N | C21 | C20 | 70.2° | 53.8° |
| N | C13 | C14 | H26 | 120.3° | 119.9° |
| N | C13 | C14 | H27 | 120.3° | 120.0° |
| N | C13 | C14 | C19 | 37.2° | 54.5° |
| N | C13 | C14 | C15 | 156.0° | 174.3° |
| C13 | N | C21 | H13 | 46.1° | 66.0° |
| N | C13 | C14 | H25 | 84.8° | 65.7° |
| N | C13 | H26 | H27 | 119.1° | 120.4° |
| C21 | C20 | C19 | H14 | 118.8° | 119.9° |
| C21 | C20 | C19 | H15 | 118.7° | 120.0° |
| C21 | C20 | C19 | C14 | 67.6° | 61.3° |
| C21 | C20 | C19 | C18 | 170.0° | 178.8° |
| C20 | C21 | C22 | H11 | 172.7° | 179.0° |
| C20 | C21 | C22 | H12 | 52.2° | 59.0° |
| C21 | C20 | H14 | H15 | 123.4° | 120.0° |
| C21 | C20 | C19 | H16 | 50.9° | 58.9° |
| C13 | C14 | C19 | C20 | 48.8° | 61.1° |
| C13 | C14 | C19 | C15 | 119.8° | 119.5° |
| C13 | C14 | C19 | H25 | 121.9° | 120.3° |
| C13 | C14 | C15 | H25 | 119.2° | 120.2° |
| C13 | C14 | C19 | C18 | 172.8° | 179.2° |
| C13 | C14 | C15 | C16 | 178.8° | 179.5° |
| C13 | C14 | C19 | H16 | 69.7° | 59.1° |
| C13 | C14 | C15 | H23 | 61.1° | 60.5° |
| C13 | C14 | C15 | H24 | 58.7° | 59.5° |
| C14 | C13 | H26 | H27 | 119.2° | 120.2° |
| C20 | C19 | C14 | C18 | 124.0° | 119.7° |
| C20 | C19 | C14 | H16 | 118.5° | 120.2° |
| C20 | C19 | C14 | C15 | 168.6° | 179.4° |
| C20 | C19 | C18 | H16 | 119.2° | 120.0° |
| C20 | C19 | C18 | C17 | 170.7° | 179.8° |
| C19 | C20 | C21 | H13 | 41.7° | 65.1° |
| C19 | C20 | H14 | H15 | 123.5° | 120.1° |
| C20 | C19 | C18 | H17 | 69.4° | 59.7° |
| C20 | C19 | C18 | H18 | 50.9° | 60.2° |
| C20 | C19 | C14 | H25 | 73.1° | 59.2° |
| C19 | C14 | C15 | H25 | 118.4° | 120.2° |
| C14 | C19 | C18 | H16 | 117.5° | 120.1° |
| C19 | C14 | C15 | C16 | 58.8° | 59.9° |
| C14 | C19 | C18 | C17 | 66.0° | 59.9° |
| C14 | C19 | C20 | H14 | 51.2° | 58.6° |
| C14 | C19 | C20 | H15 | 173.6° | 178.7° |
| C14 | C19 | C18 | H17 | 53.8° | 60.2° |
| C14 | C19 | C18 | H18 | 174.2° | 179.9° |
| C19 | C14 | C15 | H23 | 61.3° | 179.9° |
| C19 | C14 | C15 | H24 | 178.9° | 60.1° |
| C19 | C14 | C13 | H26 | 83.0° | 174.4° |
| C19 | C14 | C13 | H27 | 157.5° | 65.4° |
| C15 | C14 | C19 | C18 | 67.4° | 59.7° |
| C14 | C15 | C16 | H23 | 120.1° | 120.0° |
| C14 | C15 | C16 | H24 | 120.1° | 120.1° |
| C14 | C15 | C16 | C17 | 51.7° | 60.2° |
| C15 | C14 | C19 | H16 | 50.1° | 60.4° |
| C14 | C15 | C16 | H21 | 172.3° | 59.8° |
| C14 | C15 | C16 | H22 | 69.0° | 179.9° |
| C14 | C15 | H23 | H24 | 119.7° | 120.0° |
| C15 | C14 | C13 | H26 | 35.7° | 65.9° |
| C15 | C14 | C13 | H27 | 83.8° | 54.3° |
| C19 | C18 | C17 | H17 | 119.8° | 120.1° |
| C19 | C18 | C17 | H18 | 119.8° | 120.0° |
| C19 | C18 | C17 | C16 | 55.6° | 60.1° |
| C18 | C19 | C20 | H14 | 71.2° | 61.3° |
| C18 | C19 | C20 | H15 | 51.3° | 58.8° |
| C19 | C18 | H17 | H18 | 120.5° | 119.9° |
| C19 | C18 | C17 | H19 | 175.8° | 179.9° |
| C19 | C18 | C17 | H20 | 64.6° | 59.9° |
| C18 | C19 | C14 | H25 | 50.9° | 60.5° |
| C15 | C16 | C17 | C18 | 49.9° | 60.2° |
| C15 | C16 | C17 | H21 | 120.6° | 120.0° |
| C15 | C16 | C17 | H22 | 120.6° | 120.0° |
| C15 | C16 | C17 | H19 | 170.2° | 179.8° |
| C15 | C16 | C17 | H20 | 70.3° | 59.8° |
| C15 | C16 | H21 | H22 | 118.1° | 120.1° |
| C16 | C15 | H23 | H24 | 119.7° | 119.9° |
| C16 | C15 | C14 | H25 | 59.6° | 60.3° |
| C18 | C17 | C16 | H19 | 120.2° | 119.9° |
| C18 | C17 | C16 | H20 | 120.2° | 120.0° |
| C17 | C18 | C19 | H16 | 51.5° | 60.3° |
| C17 | C18 | H17 | H18 | 120.6° | 120.0° |
| C18 | C17 | H19 | H20 | 119.3° | 120.1° |
| C18 | C17 | C16 | H21 | 170.6° | 59.8° |
| C18 | C17 | C16 | H22 | 70.7° | 179.8° |
| C16 | C17 | C18 | H17 | 64.3° | 59.9° |
| C16 | C17 | C18 | H18 | 175.4° | 179.9° |
| C16 | C17 | H19 | H20 | 119.4° | 120.1° |
| C17 | C16 | H21 | H22 | 118.0° | 120.0° |
| C17 | C16 | C15 | H23 | 68.4° | 179.9° |
| C17 | C16 | C15 | H24 | 171.7° | 59.9° |
| H1 | C24 | C23 | H2 | 74.6° | 60.3° |
| H2 | C23 | C25 | H3 | 158.1° | 177.6° |
| H2 | C23 | C25 | H4 | 83.7° | 62.4° |
| H2 | C23 | N1 | H9 | 119.4° | 162.8° |
| H5 | N3 | C28 | H6 | 1.0° | 0.1° |
| H9 | N1 | C22 | H11 | 124.0° | 171.5° |
| H9 | N1 | C22 | H12 | 3.6° | 68.5° |
| H11 | C22 | C21 | H13 | 65.9° | 60.8° |
| H12 | C22 | C21 | H13 | 173.7° | 179.3° |
| H13 | C21 | C20 | H14 | 160.5° | 174.9° |
| H13 | C21 | C20 | H15 | 77.1° | 54.8° |
| H14 | C20 | C19 | H16 | 169.6° | 178.8° |
| H15 | C20 | C19 | H16 | 67.9° | 61.1° |
| H16 | C19 | C18 | H17 | 171.4° | 179.7° |
| H16 | C19 | C18 | H18 | 68.3° | 59.7° |
| H16 | C19 | C14 | H25 | 168.4° | 179.4° |
| H17 | C18 | C17 | H19 | 56.0° | 60.0° |
| H17 | C18 | C17 | H20 | 175.5° | 179.9° |
| H18 | C18 | C17 | H19 | 64.4° | 60.0° |
| H18 | C18 | C17 | H20 | 55.2° | 60.1° |
| H19 | C17 | C16 | H21 | 69.2° | 60.1° |
| H19 | C17 | C16 | H22 | 49.5° | 59.9° |
| H20 | C17 | C16 | H21 | 50.4° | 179.8° |
| H20 | C17 | C16 | H22 | 169.1° | 60.2° |
| H21 | C16 | C15 | H23 | 52.2° | 60.1° |
| H21 | C16 | C15 | H24 | 67.6° | 179.9° |
| H22 | C16 | C15 | H23 | 171.0° | 59.9° |
| H22 | C16 | C15 | H24 | 51.1° | 60.0° |
| H23 | C15 | C14 | H25 | 179.6° | 59.7° |
| H24 | C15 | C14 | H25 | 60.5° | 179.7° |
| H25 | C14 | C13 | H26 | 155.0° | 54.2° |
| H25 | C14 | C13 | H27 | 35.5° | 174.3° |
| H28 | C12 | C11 | H29 | 1.1° | 0.1° |
| H30 | C3 | C2 | H31 | 0.7° | 0.2° |
| H32 | C10 | C9 | H33 | 0.5° | 0.0° |
| H33 | C9 | C8 | H34 | 0.4° | 0.1° |
| H34 | C8 | C7 | H35 | 0.6° | 0.3° |
| H35 | C7 | C6 | H36 | 0.8° | 0.6° |
