E40
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C61 | O24 | sing | 1.43Å | 1.39Å | |
| O24 | C24 | sing | 1.36Å | 1.39Å | |
| C24 | C23 | doub | 1.39Å | 1.32Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.52Å | Aromatic |
| C23 | C30 | sing | 1.38Å | 1.52Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.31Å | Aromatic |
| C30 | C21 | doub | 1.39Å | 1.32Å | Aromatic |
| C57 | C58 | doub | 1.39Å | 1.31Å | Aromatic |
| C57 | C56 | sing | 1.38Å | 1.52Å | Aromatic |
| C26 | C21 | sing | 1.39Å | 1.52Å | Aromatic |
| C21 | C16 | sing | 1.48Å | 1.52Å | |
| C58 | C51 | sing | 1.39Å | 1.52Å | Aromatic |
| C56 | C55 | doub | 1.39Å | 1.32Å | Aromatic |
| O7 | N2 | sing | 1.42Å | 1.39Å | |
| C16 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C51 | C50 | doub | 1.41Å | 1.33Å | Aromatic |
| C51 | C52 | sing | 1.48Å | 1.52Å | |
| C55 | C50 | sing | 1.38Å | 1.52Å | Aromatic |
| O54 | C52 | doub | 1.21Å | 1.19Å | |
| N2 | C11 | sing | 1.35Å | 1.45Å | |
| C50 | C49 | sing | 1.48Å | 1.51Å | |
| C52 | N48 | sing | 1.35Å | 1.44Å | |
| C17 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| O2 | C11 | doub | 1.21Å | 1.19Å | |
| C11 | C31 | sing | 1.51Å | 1.53Å | |
| C49 | N48 | sing | 1.35Å | 1.45Å | |
| C49 | O53 | doub | 1.21Å | 1.19Å | |
| N48 | C33 | sing | 1.46Å | 1.44Å | |
| C14 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | S13 | sing | 1.76Å | 1.80Å | |
| C31 | C32 | sing | 1.53Å | 1.51Å | |
| C31 | N12 | sing | 1.47Å | 1.46Å | |
| C33 | C32 | sing | 1.53Å | 1.51Å | |
| O15 | N12 | sing | 1.42Å | 1.39Å | |
| O15 | C67 | sing | 1.43Å | 1.41Å | |
| S13 | O14 | doub | 1.42Å | 1.46Å | |
| S13 | N12 | sing | 1.66Å | 1.70Å | |
| S13 | O13 | doub | 1.42Å | 1.47Å | |
| C69 | C67 | sing | 1.53Å | 1.52Å | |
| C67 | C68 | sing | 1.53Å | 1.53Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C26 | H3 | sing | 1.08Å | 1.08Å | |
| C25 | H4 | sing | 1.08Å | 1.08Å | |
| C61 | H5 | sing | 1.09Å | 1.10Å | |
| C61 | H6 | sing | 1.09Å | 1.10Å | |
| C61 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.08Å | 1.08Å | |
| C30 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C29 | H11 | sing | 1.08Å | 1.08Å | |
| C67 | H12 | sing | 1.09Å | 1.10Å | |
| C69 | H13 | sing | 1.09Å | 1.10Å | |
| C69 | H14 | sing | 1.09Å | 1.10Å | |
| C69 | H15 | sing | 1.09Å | 1.10Å | |
| C68 | H16 | sing | 1.09Å | 1.10Å | |
| C68 | H17 | sing | 1.09Å | 1.10Å | |
| C68 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| N2 | H20 | sing | 0.97Å | 1.00Å | |
| O7 | H21 | sing | 0.97Å | 0.95Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| C55 | H26 | sing | 1.08Å | 1.08Å | |
| C56 | H27 | sing | 1.08Å | 1.08Å | |
| C57 | H28 | sing | 1.08Å | 1.08Å | |
| C58 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C61 | O24 | C24 | 118.6° | 117.0° |
| O24 | C61 | H5 | 109.5° | 109.5° |
| O24 | C61 | H6 | 109.5° | 109.5° |
| O24 | C61 | H7 | 109.4° | 109.5° |
| O24 | C24 | C23 | 119.8° | 120.0° |
| O24 | C24 | C25 | 119.1° | 119.9° |
| C23 | C24 | C25 | 121.0° | 120.1° |
| C24 | C23 | C30 | 119.5° | 120.1° |
| C24 | C23 | H8 | 120.3° | 120.0° |
| C24 | C25 | C26 | 119.3° | 120.1° |
| C24 | C25 | H4 | 120.3° | 120.0° |
| C23 | C30 | C21 | 119.3° | 119.9° |
| C30 | C23 | H8 | 120.2° | 120.0° |
| C23 | C30 | H9 | 120.3° | 120.1° |
| C25 | C26 | C21 | 120.0° | 119.9° |
| C25 | C26 | H3 | 120.0° | 120.0° |
| C26 | C25 | H4 | 120.4° | 119.9° |
| C30 | C21 | C26 | 120.7° | 119.9° |
| C30 | C21 | C16 | 118.9° | 120.1° |
| C21 | C30 | H9 | 120.3° | 120.0° |
| C58 | C57 | C56 | 122.0° | 120.4° |
| C57 | C58 | C51 | 119.1° | 119.7° |
| C58 | C57 | H28 | 119.0° | 119.8° |
| C57 | C58 | H29 | 120.5° | 120.2° |
| C57 | C56 | C55 | 119.2° | 120.5° |
| C57 | C56 | H27 | 120.4° | 119.7° |
| C56 | C57 | H28 | 119.0° | 119.8° |
| C26 | C21 | C16 | 120.1° | 120.0° |
| C21 | C26 | H3 | 120.0° | 120.1° |
| C21 | C16 | C15 | 120.8° | 120.1° |
| C21 | C16 | C17 | 119.2° | 120.1° |
| C58 | C51 | C50 | 119.3° | 119.8° |
| C58 | C51 | C52 | 131.1° | 134.3° |
| C51 | C58 | H29 | 120.4° | 120.1° |
| C56 | C55 | C50 | 119.0° | 119.7° |
| C56 | C55 | H26 | 120.5° | 120.1° |
| C55 | C56 | H27 | 120.4° | 119.8° |
| O7 | N2 | C11 | 117.3° | 120.0° |
| O7 | N2 | H20 | 121.4° | 120.0° |
| N2 | O7 | H21 | 109.5° | 114.0° |
| C15 | C16 | C17 | 119.9° | 119.8° |
| C16 | C15 | C29 | 120.3° | 119.9° |
| C16 | C15 | H10 | 119.9° | 120.1° |
| C16 | C17 | C14 | 119.9° | 119.9° |
| C16 | C17 | H2 | 120.0° | 120.1° |
| C15 | C29 | C28 | 120.1° | 120.1° |
| C29 | C15 | H10 | 119.9° | 120.1° |
| C15 | C29 | H11 | 119.9° | 120.0° |
| C50 | C51 | C52 | 109.6° | 105.9° |
| C51 | C50 | C55 | 121.4° | 119.8° |
| C51 | C50 | C49 | 108.6° | 105.9° |
| C51 | C52 | O54 | 126.1° | 125.7° |
| C51 | C52 | N48 | 107.4° | 108.6° |
| C55 | C50 | C49 | 130.0° | 134.3° |
| C50 | C55 | H26 | 120.5° | 120.2° |
| O54 | C52 | N48 | 126.5° | 125.7° |
| N2 | C11 | O2 | 118.2° | 120.0° |
| N2 | C11 | C31 | 119.9° | 120.0° |
| C11 | N2 | H20 | 121.4° | 120.0° |
| C50 | C49 | N48 | 108.2° | 108.6° |
| C50 | C49 | O53 | 124.3° | 125.7° |
| C52 | N48 | C49 | 106.3° | 111.0° |
| C52 | N48 | C33 | 125.6° | 124.5° |
| C17 | C14 | C28 | 120.2° | 120.2° |
| C17 | C14 | H1 | 119.9° | 120.0° |
| C14 | C17 | H2 | 120.0° | 120.1° |
| C29 | C28 | C14 | 119.5° | 120.2° |
| C29 | C28 | S13 | 121.2° | 119.9° |
| C28 | C29 | H11 | 119.9° | 119.9° |
| O2 | C11 | C31 | 121.5° | 120.0° |
| C11 | C31 | C32 | 109.8° | 109.5° |
| C11 | C31 | N12 | 113.6° | 109.5° |
| C11 | C31 | H19 | 109.0° | 109.5° |
| N48 | C49 | O53 | 127.5° | 125.7° |
| C49 | N48 | C33 | 127.7° | 124.5° |
| N48 | C33 | C32 | 110.8° | 109.5° |
| N48 | C33 | H24 | 109.1° | 109.5° |
| N48 | C33 | H25 | 109.1° | 109.5° |
| C14 | C28 | S13 | 119.3° | 119.9° |
| C28 | C14 | H1 | 119.9° | 119.9° |
| C28 | S13 | O14 | 112.0° | 106.4° |
| C28 | S13 | N12 | 113.8° | 107.2° |
| C28 | S13 | O13 | 103.6° | 106.4° |
| C32 | C31 | N12 | 105.2° | 109.5° |
| C31 | C32 | C33 | 108.6° | 109.5° |
| C32 | C31 | H19 | 109.3° | 109.5° |
| C31 | C32 | H22 | 109.7° | 109.5° |
| C31 | C32 | H23 | 109.7° | 109.4° |
| C31 | N12 | O15 | 111.8° | 120.0° |
| C31 | N12 | S13 | 113.2° | 120.1° |
| N12 | C31 | H19 | 110.0° | 109.5° |
| C33 | C32 | H22 | 109.7° | 109.5° |
| C33 | C32 | H23 | 109.7° | 109.5° |
| C32 | C33 | H24 | 109.2° | 109.5° |
| C32 | C33 | H25 | 109.2° | 109.5° |
| N12 | O15 | C67 | 118.9° | 114.0° |
| O15 | N12 | S13 | 111.6° | 120.0° |
| O15 | C67 | C69 | 108.0° | 109.5° |
| O15 | C67 | C68 | 111.1° | 109.5° |
| O15 | C67 | H12 | 111.0° | 109.5° |
| O14 | S13 | N12 | 108.1° | 106.4° |
| O14 | S13 | O13 | 109.6° | 123.2° |
| N12 | S13 | O13 | 109.7° | 106.4° |
| C69 | C67 | C68 | 108.3° | 109.5° |
| C69 | C67 | H12 | 109.3° | 109.4° |
| C67 | C69 | H13 | 109.5° | 109.5° |
| C67 | C69 | H14 | 109.5° | 109.4° |
| C67 | C69 | H15 | 109.5° | 109.5° |
| C68 | C67 | H12 | 109.2° | 109.5° |
| C67 | C68 | H16 | 109.5° | 109.5° |
| C67 | C68 | H17 | 109.5° | 109.5° |
| C67 | C68 | H18 | 109.5° | 109.5° |
| H5 | C61 | H6 | 109.5° | 109.5° |
| H5 | C61 | H7 | 109.5° | 109.4° |
| H6 | C61 | H7 | 109.5° | 109.5° |
| H13 | C69 | H14 | 109.5° | 109.5° |
| H13 | C69 | H15 | 109.4° | 109.5° |
| H14 | C69 | H15 | 109.5° | 109.5° |
| H16 | C68 | H17 | 109.4° | 109.5° |
| H16 | C68 | H18 | 109.5° | 109.5° |
| H17 | C68 | H18 | 109.5° | 109.5° |
| H22 | C32 | H23 | 109.5° | 109.5° |
| H24 | C33 | H25 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C61 | O24 | C24 | C23 | 161.2° | 180.0° |
| C61 | O24 | C24 | C25 | 18.7° | 0.3° |
| O24 | C61 | H5 | H6 | 120.0° | 120.0° |
| O24 | C61 | H5 | H7 | 120.0° | 120.0° |
| O24 | C61 | H6 | H7 | 120.0° | 120.0° |
| O24 | C24 | C23 | C25 | 179.9° | 179.7° |
| O24 | C24 | C23 | C30 | 179.4° | 180.0° |
| O24 | C24 | C25 | C26 | 179.3° | 179.7° |
| O24 | C24 | C25 | H4 | 0.7° | 0.4° |
| C24 | O24 | C61 | H5 | 180.0° | 179.9° |
| C24 | O24 | C61 | H6 | 60.0° | 60.0° |
| C24 | O24 | C61 | H7 | 60.0° | 60.0° |
| O24 | C24 | C23 | H8 | 0.6° | 0.3° |
| C24 | C23 | C30 | H8 | 180.0° | 179.7° |
| C23 | C24 | C25 | C26 | 0.6° | 0.0° |
| C24 | C23 | C30 | C21 | 2.5° | 0.6° |
| C23 | C24 | C25 | H4 | 179.4° | 180.0° |
| C24 | C23 | C30 | H9 | 177.5° | 179.9° |
| C25 | C24 | C23 | C30 | 0.6° | 0.3° |
| C24 | C25 | C26 | H4 | 180.0° | 179.9° |
| C24 | C25 | C26 | C21 | 2.3° | 0.0° |
| C24 | C25 | C26 | H3 | 177.7° | 180.0° |
| C25 | C24 | C23 | H8 | 179.4° | 180.0° |
| C23 | C30 | C21 | H9 | 180.0° | 179.5° |
| C23 | C30 | C21 | C26 | 4.2° | 0.5° |
| C23 | C30 | C21 | C16 | 177.7° | 179.7° |
| C25 | C26 | C21 | C30 | 4.3° | 0.2° |
| C25 | C26 | C21 | H3 | 180.0° | 180.0° |
| C25 | C26 | C21 | C16 | 177.8° | 180.0° |
| C30 | C21 | C26 | C16 | 173.4° | 179.8° |
| C30 | C21 | C16 | C15 | 43.4° | 0.2° |
| C30 | C21 | C16 | C17 | 131.5° | 180.0° |
| C30 | C21 | C26 | H3 | 175.7° | 179.8° |
| C21 | C30 | C23 | H8 | 177.5° | 179.7° |
| C58 | C57 | C56 | H28 | 180.0° | 179.7° |
| C57 | C58 | C51 | H29 | 180.0° | 179.7° |
| C58 | C57 | C56 | C55 | 0.3° | 0.2° |
| C57 | C58 | C51 | C50 | 0.4° | 0.2° |
| C57 | C58 | C51 | C52 | 179.9° | 179.9° |
| C58 | C57 | C56 | H27 | 179.7° | 179.8° |
| C56 | C57 | C58 | C51 | 0.3° | 0.3° |
| C57 | C56 | C55 | H27 | 180.0° | 180.0° |
| C57 | C56 | C55 | C50 | 0.4° | 0.0° |
| C57 | C56 | C55 | H26 | 179.6° | 180.0° |
| C56 | C57 | C58 | H29 | 179.7° | 180.0° |
| C26 | C21 | C16 | C15 | 143.0° | 180.0° |
| C26 | C21 | C16 | C17 | 42.0° | 0.2° |
| C21 | C26 | C25 | H4 | 177.7° | 179.9° |
| C26 | C21 | C30 | H9 | 175.7° | 180.0° |
| C21 | C16 | C15 | C17 | 174.9° | 179.8° |
| C21 | C16 | C15 | C29 | 175.7° | 180.0° |
| C21 | C16 | C17 | C14 | 176.1° | 179.8° |
| C21 | C16 | C17 | H2 | 3.9° | 0.3° |
| C16 | C21 | C26 | H3 | 2.3° | 0.0° |
| C16 | C21 | C30 | H9 | 2.2° | 0.2° |
| C21 | C16 | C15 | H10 | 4.3° | 0.2° |
| C58 | C51 | C50 | C52 | 179.7° | 179.9° |
| C58 | C51 | C50 | C55 | 0.5° | 0.0° |
| C58 | C51 | C52 | O54 | 0.1° | 0.1° |
| C58 | C51 | C50 | C49 | 179.6° | 179.9° |
| C58 | C51 | C52 | N48 | 179.7° | 179.9° |
| C51 | C58 | C57 | H28 | 179.6° | 180.0° |
| C56 | C55 | C50 | C51 | 0.5° | 0.1° |
| C56 | C55 | C50 | H26 | 180.0° | 180.0° |
| C56 | C55 | C50 | C49 | 179.4° | 180.0° |
| C55 | C56 | C57 | H28 | 179.6° | 179.9° |
| O7 | N2 | C11 | H20 | 180.0° | 180.0° |
| O7 | N2 | C11 | O2 | 9.1° | 0.0° |
| O7 | N2 | C11 | C31 | 178.1° | 180.0° |
| C16 | C15 | C29 | H10 | 180.0° | 179.8° |
| C15 | C16 | C17 | C14 | 1.1° | 0.0° |
| C16 | C15 | C29 | C28 | 0.2° | 0.5° |
| C15 | C16 | C17 | H2 | 178.9° | 180.0° |
| C16 | C15 | C29 | H11 | 179.8° | 180.0° |
| C17 | C16 | C15 | C29 | 0.8° | 0.2° |
| C16 | C17 | C14 | H2 | 180.0° | 179.9° |
| C16 | C17 | C14 | C28 | 0.4° | 0.0° |
| C16 | C17 | C14 | H1 | 179.6° | 180.0° |
| C17 | C16 | C15 | H10 | 179.2° | 180.0° |
| C15 | C29 | C28 | H11 | 180.0° | 179.5° |
| C15 | C29 | C28 | C14 | 0.9° | 0.5° |
| C15 | C29 | C28 | S13 | 178.2° | 179.8° |
| C51 | C50 | C55 | C49 | 179.0° | 179.9° |
| C50 | C51 | C52 | O54 | 179.7° | 179.9° |
| C50 | C51 | C52 | N48 | 0.0° | 0.2° |
| C51 | C50 | C49 | N48 | 1.1° | 0.1° |
| C51 | C50 | C49 | O53 | 179.4° | 179.9° |
| C51 | C50 | C55 | H26 | 179.5° | 179.9° |
| C50 | C51 | C58 | H29 | 179.6° | 179.8° |
| C52 | C51 | C50 | C55 | 179.8° | 179.9° |
| C51 | C52 | O54 | N48 | 179.7° | 180.0° |
| C52 | C51 | C50 | C49 | 0.7° | 0.0° |
| C51 | C52 | N48 | C49 | 0.7° | 0.3° |
| C51 | C52 | N48 | C33 | 173.7° | 180.0° |
| C52 | C51 | C58 | H29 | 0.0° | 0.3° |
| C55 | C50 | C49 | N48 | 179.8° | 180.0° |
| C55 | C50 | C49 | O53 | 0.3° | 0.0° |
| C50 | C55 | C56 | H27 | 179.7° | 180.0° |
| O54 | C52 | N48 | C49 | 179.6° | 179.7° |
| O54 | C52 | N48 | C33 | 6.6° | 0.0° |
| N2 | C11 | O2 | C31 | 172.7° | 180.0° |
| N2 | C11 | C31 | C32 | 120.8° | 73.0° |
| N2 | C11 | C31 | N12 | 121.8° | 167.0° |
| N2 | C11 | C31 | H19 | 1.2° | 47.0° |
| C11 | N2 | O7 | H21 | 4.2° | 180.0° |
| C50 | C49 | N48 | C52 | 1.1° | 0.3° |
| C50 | C49 | N48 | O53 | 179.5° | 179.9° |
| C50 | C49 | N48 | C33 | 173.9° | 180.0° |
| C49 | C50 | C55 | H26 | 0.6° | 0.0° |
| C52 | N48 | C49 | C33 | 172.8° | 179.8° |
| C52 | N48 | C49 | O53 | 179.4° | 179.8° |
| C52 | N48 | C33 | C32 | 137.0° | 94.8° |
| C52 | N48 | C33 | H24 | 16.7° | 25.3° |
| C52 | N48 | C33 | H25 | 102.8° | 145.2° |
| C17 | C14 | C28 | C29 | 0.6° | 0.3° |
| C17 | C14 | C28 | H1 | 180.0° | 180.0° |
| C17 | C14 | C28 | S13 | 177.9° | 180.0° |
| C29 | C28 | C14 | S13 | 177.3° | 179.7° |
| C29 | C28 | S13 | O14 | 22.0° | 156.2° |
| C29 | C28 | S13 | N12 | 100.9° | 90.2° |
| C29 | C28 | S13 | O13 | 140.1° | 23.3° |
| C29 | C28 | C14 | H1 | 179.3° | 179.8° |
| C28 | C29 | C15 | H10 | 179.8° | 179.8° |
| O2 | C11 | C31 | C32 | 51.8° | 107.0° |
| O2 | C11 | C31 | N12 | 65.7° | 13.0° |
| O2 | C11 | C31 | H19 | 171.4° | 133.0° |
| O2 | C11 | N2 | H20 | 170.8° | 180.0° |
| C11 | C31 | C32 | N12 | 122.6° | 120.0° |
| C11 | C31 | C32 | H19 | 119.4° | 120.0° |
| C11 | C31 | N12 | H19 | 122.4° | 120.0° |
| C11 | C31 | C32 | C33 | 69.1° | 176.9° |
| C11 | C31 | N12 | O15 | 50.9° | 68.8° |
| C11 | C31 | N12 | S13 | 76.3° | 111.2° |
| C31 | C11 | N2 | H20 | 1.9° | 0.0° |
| C11 | C31 | C32 | H22 | 50.8° | 56.9° |
| C11 | C31 | C32 | H23 | 171.1° | 63.2° |
| C49 | N48 | C33 | C32 | 51.5° | 85.5° |
| C49 | N48 | C33 | H24 | 171.7° | 154.5° |
| C49 | N48 | C33 | H25 | 68.7° | 34.5° |
| O53 | C49 | N48 | C33 | 6.6° | 0.0° |
| N48 | C33 | C32 | C31 | 95.0° | 176.6° |
| N48 | C33 | C32 | H24 | 120.2° | 120.1° |
| N48 | C33 | C32 | H25 | 120.2° | 120.0° |
| N48 | C33 | C32 | H22 | 24.9° | 63.3° |
| N48 | C33 | C32 | H23 | 145.2° | 56.7° |
| N48 | C33 | H24 | H25 | 119.3° | 120.0° |
| C14 | C28 | S13 | O14 | 155.2° | 23.6° |
| C14 | C28 | S13 | N12 | 81.9° | 90.0° |
| C14 | C28 | S13 | O13 | 37.2° | 156.5° |
| C28 | C14 | C17 | H2 | 179.6° | 180.0° |
| C14 | C28 | C29 | H11 | 179.1° | 180.0° |
| C28 | S13 | N12 | C31 | 79.4° | 75.8° |
| C28 | S13 | N12 | O15 | 47.8° | 104.2° |
| C28 | S13 | O14 | N12 | 126.1° | 114.1° |
| C28 | S13 | O14 | O13 | 114.4° | 122.9° |
| C28 | S13 | N12 | O13 | 115.5° | 113.5° |
| S13 | C28 | C14 | H1 | 2.1° | 0.0° |
| S13 | C28 | C29 | H11 | 1.9° | 0.3° |
| C32 | C31 | N12 | H19 | 117.5° | 120.0° |
| C31 | C32 | C33 | H22 | 119.9° | 120.0° |
| C31 | C32 | C33 | H23 | 119.8° | 120.0° |
| C32 | C31 | N12 | O15 | 69.2° | 51.2° |
| C32 | C31 | N12 | S13 | 163.6° | 128.8° |
| C31 | C32 | H22 | H23 | 120.4° | 120.0° |
| C31 | C32 | C33 | H24 | 25.2° | 56.6° |
| C31 | C32 | C33 | H25 | 144.8° | 63.4° |
| N12 | C31 | C32 | C33 | 168.4° | 63.1° |
| C31 | N12 | O15 | S13 | 128.0° | 180.0° |
| C31 | N12 | O15 | C67 | 141.4° | 96.9° |
| C31 | N12 | S13 | O14 | 45.6° | 170.6° |
| C31 | N12 | S13 | O13 | 165.0° | 37.7° |
| N12 | C31 | C32 | H22 | 71.7° | 176.9° |
| N12 | C31 | C32 | H23 | 48.5° | 56.9° |
| C33 | C32 | C31 | H19 | 50.4° | 56.9° |
| C33 | C32 | H22 | H23 | 120.4° | 120.0° |
| C32 | C33 | H24 | H25 | 119.4° | 120.0° |
| O15 | N12 | S13 | O14 | 172.9° | 9.3° |
| O15 | N12 | S13 | O13 | 67.7° | 142.3° |
| N12 | O15 | C67 | C69 | 178.6° | 118.0° |
| N12 | O15 | C67 | C68 | 62.8° | 122.0° |
| N12 | O15 | C67 | H12 | 58.8° | 2.0° |
| O15 | N12 | C31 | H19 | 173.3° | 171.2° |
| C67 | O15 | N12 | S13 | 90.5° | 83.1° |
| O15 | C67 | C69 | C68 | 120.3° | 120.0° |
| O15 | C67 | C69 | H12 | 120.8° | 120.0° |
| O15 | C67 | C68 | H12 | 122.7° | 120.0° |
| O15 | C67 | C69 | H13 | 180.0° | 161.6° |
| O15 | C67 | C69 | H14 | 60.0° | 78.4° |
| O15 | C67 | C69 | H15 | 60.0° | 41.5° |
| O15 | C67 | C68 | H16 | 180.0° | 60.0° |
| O15 | C67 | C68 | H17 | 60.0° | 180.0° |
| O15 | C67 | C68 | H18 | 60.0° | 60.0° |
| O14 | S13 | N12 | O13 | 119.4° | 133.0° |
| S13 | N12 | C31 | H19 | 46.1° | 8.8° |
| C69 | C67 | C68 | H12 | 118.9° | 120.0° |
| C67 | C69 | H13 | H14 | 120.0° | 120.0° |
| C67 | C69 | H13 | H15 | 120.0° | 120.0° |
| C67 | C69 | H14 | H15 | 120.0° | 120.0° |
| C69 | C67 | C68 | H16 | 61.6° | 180.0° |
| C69 | C67 | C68 | H17 | 178.4° | 60.0° |
| C69 | C67 | C68 | H18 | 58.4° | 60.0° |
| C68 | C67 | C69 | H13 | 59.7° | 41.6° |
| C68 | C67 | C69 | H14 | 60.4° | 161.6° |
| C68 | C67 | C69 | H15 | 179.6° | 78.5° |
| C67 | C68 | H16 | H17 | 120.0° | 120.0° |
| C67 | C68 | H16 | H18 | 120.0° | 120.0° |
| C67 | C68 | H17 | H18 | 120.0° | 120.0° |
| H1 | C14 | C17 | H2 | 0.4° | 0.1° |
| H3 | C26 | C25 | H4 | 2.3° | 0.1° |
| H5 | C61 | H6 | H7 | 120.0° | 120.0° |
| H8 | C23 | C30 | H9 | 2.5° | 0.2° |
| H10 | C15 | C29 | H11 | 0.2° | 0.3° |
| H12 | C67 | C69 | H13 | 59.2° | 78.4° |
| H12 | C67 | C69 | H14 | 179.2° | 41.6° |
| H12 | C67 | C69 | H15 | 60.8° | 161.5° |
| H12 | C67 | C68 | H16 | 57.3° | 60.0° |
| H12 | C67 | C68 | H17 | 62.7° | 60.0° |
| H12 | C67 | C68 | H18 | 177.3° | 180.0° |
| H13 | C69 | H14 | H15 | 119.9° | 120.0° |
| H16 | C68 | H17 | H18 | 120.0° | 120.0° |
| H19 | C31 | C32 | H22 | 170.3° | 63.1° |
| H19 | C31 | C32 | H23 | 69.5° | 176.9° |
| H20 | N2 | O7 | H21 | 175.7° | 0.0° |
| H22 | C32 | C33 | H24 | 145.1° | 176.6° |
| H22 | C32 | C33 | H25 | 95.3° | 56.7° |
| H23 | C32 | C33 | H24 | 94.6° | 63.4° |
| H23 | C32 | C33 | H25 | 25.0° | 176.7° |
| H26 | C55 | C56 | H27 | 0.3° | 0.0° |
| H27 | C56 | C57 | H28 | 0.3° | 0.0° |
| H28 | C57 | C58 | H29 | 0.3° | 0.3° |
