EMX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C22 | doub | 1.21Å | 1.27Å | |
| C22 | O24 | sing | 1.35Å | 1.27Å | |
| C22 | C21 | sing | 1.48Å | 1.52Å | |
| C25 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.40Å | 1.38Å | Aromatic |
| C26 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.38Å | Aromatic |
| C18 | C16 | sing | 1.48Å | 1.53Å | |
| O17 | C16 | doub | 1.21Å | 1.18Å | |
| C16 | O15 | sing | 1.35Å | 1.40Å | |
| O15 | C14 | sing | 1.45Å | 1.40Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | O10 | sing | 1.45Å | 1.40Å | |
| O10 | C08 | sing | 1.35Å | 1.40Å | |
| C08 | O09 | doub | 1.21Å | 1.18Å | |
| C08 | C07 | sing | 1.48Å | 1.54Å | |
| C27 | C07 | doub | 1.40Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| C28 | C04 | doub | 1.40Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| O01 | C02 | doub | 1.21Å | 1.28Å | |
| C04 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| C04 | C02 | sing | 1.48Å | 1.54Å | |
| C02 | O03 | sing | 1.35Å | 1.26Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C26 | H4 | sing | 1.08Å | 1.08Å | |
| C28 | H5 | sing | 1.08Å | 1.08Å | |
| C05 | H6 | sing | 1.08Å | 1.08Å | |
| C06 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å | |
| O03 | H17 | sing | 0.97Å | 0.95Å | |
| O24 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | C22 | O24 | 121.7° | 120.1° |
| O23 | C22 | C21 | 122.3° | 120.0° |
| O24 | C22 | C21 | 116.0° | 119.9° |
| C22 | O24 | H18 | 109.5° | 117.0° |
| C22 | C21 | C25 | 121.5° | 120.0° |
| C22 | C21 | C20 | 117.5° | 120.0° |
| C21 | C25 | C26 | 119.4° | 120.0° |
| C25 | C21 | C20 | 121.0° | 120.0° |
| C21 | C25 | H15 | 120.3° | 120.0° |
| C25 | C26 | C18 | 119.5° | 120.1° |
| C25 | C26 | H4 | 120.3° | 120.0° |
| C26 | C25 | H15 | 120.3° | 120.0° |
| C21 | C20 | C19 | 119.6° | 120.0° |
| C21 | C20 | H3 | 120.2° | 120.0° |
| C26 | C18 | C19 | 120.6° | 120.0° |
| C26 | C18 | C16 | 121.7° | 120.0° |
| C18 | C26 | H4 | 120.3° | 119.9° |
| C20 | C19 | C18 | 120.0° | 120.0° |
| C19 | C20 | H3 | 120.2° | 120.0° |
| C20 | C19 | H14 | 120.0° | 120.0° |
| C19 | C18 | C16 | 117.7° | 120.0° |
| C18 | C19 | H14 | 120.0° | 120.0° |
| C18 | C16 | O17 | 121.6° | 120.0° |
| C18 | C16 | O15 | 117.1° | 120.0° |
| O17 | C16 | O15 | 121.3° | 120.0° |
| C16 | O15 | C14 | 116.6° | 117.0° |
| O15 | C14 | C13 | 110.1° | 109.5° |
| O15 | C14 | H12 | 109.3° | 109.5° |
| O15 | C14 | H13 | 109.3° | 109.5° |
| C14 | C13 | C12 | 114.7° | 109.5° |
| C14 | C13 | H1 | 108.2° | 109.5° |
| C14 | C13 | H2 | 108.1° | 109.4° |
| C13 | C14 | H12 | 109.3° | 109.5° |
| C13 | C14 | H13 | 109.3° | 109.4° |
| C13 | C12 | C11 | 115.6° | 109.5° |
| C12 | C13 | H1 | 108.1° | 109.5° |
| C12 | C13 | H2 | 108.2° | 109.5° |
| C13 | C12 | H10 | 107.9° | 109.5° |
| C13 | C12 | H11 | 107.9° | 109.5° |
| C12 | C11 | O10 | 106.4° | 109.5° |
| C12 | C11 | H8 | 110.2° | 109.5° |
| C12 | C11 | H9 | 110.3° | 109.5° |
| C11 | C12 | H10 | 107.9° | 109.4° |
| C11 | C12 | H11 | 107.9° | 109.5° |
| C11 | O10 | C08 | 116.1° | 117.0° |
| O10 | C11 | H8 | 110.2° | 109.5° |
| O10 | C11 | H9 | 110.2° | 109.5° |
| O10 | C08 | O09 | 119.7° | 120.0° |
| O10 | C08 | C07 | 120.6° | 120.0° |
| O09 | C08 | C07 | 119.7° | 120.0° |
| C08 | C07 | C27 | 120.8° | 120.0° |
| C08 | C07 | C06 | 119.8° | 120.0° |
| C07 | C27 | C28 | 119.9° | 120.0° |
| C27 | C07 | C06 | 119.4° | 120.0° |
| C07 | C27 | H16 | 120.0° | 120.0° |
| C27 | C28 | C04 | 120.6° | 120.0° |
| C27 | C28 | H5 | 119.7° | 120.0° |
| C28 | C27 | H16 | 120.0° | 120.0° |
| C07 | C06 | C05 | 120.8° | 120.1° |
| C07 | C06 | H7 | 119.6° | 119.9° |
| C28 | C04 | C05 | 119.2° | 120.0° |
| C28 | C04 | C02 | 121.6° | 119.9° |
| C04 | C28 | H5 | 119.7° | 120.0° |
| C06 | C05 | C04 | 120.1° | 120.0° |
| C06 | C05 | H6 | 120.0° | 120.0° |
| C05 | C06 | H7 | 119.6° | 120.0° |
| O01 | C02 | C04 | 122.1° | 120.0° |
| O01 | C02 | O03 | 120.0° | 120.0° |
| C05 | C04 | C02 | 119.2° | 120.0° |
| C04 | C05 | H6 | 119.9° | 120.0° |
| C04 | C02 | O03 | 117.9° | 120.0° |
| C02 | O03 | H17 | 109.5° | 117.0° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.4° |
| H10 | C12 | H11 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C22 | O24 | C21 | 177.6° | 180.0° |
| O23 | C22 | C21 | C25 | 32.3° | 180.0° |
| O23 | C22 | C21 | C20 | 149.7° | 0.0° |
| O23 | C22 | O24 | H18 | 0.0° | 0.0° |
| O24 | C22 | C21 | C25 | 145.3° | 0.0° |
| O24 | C22 | C21 | C20 | 32.7° | 180.0° |
| C22 | C21 | C25 | C20 | 178.0° | 180.0° |
| C22 | C21 | C25 | C26 | 178.6° | 179.9° |
| C22 | C21 | C20 | C19 | 178.7° | 180.0° |
| C22 | C21 | C20 | H3 | 1.3° | 0.2° |
| C22 | C21 | C25 | H15 | 1.4° | 0.0° |
| C21 | C22 | O24 | H18 | 177.6° | 180.0° |
| C21 | C25 | C26 | H15 | 180.0° | 180.0° |
| C21 | C25 | C26 | C18 | 0.0° | 0.3° |
| C25 | C21 | C20 | C19 | 0.7° | 0.0° |
| C25 | C21 | C20 | H3 | 179.3° | 179.7° |
| C21 | C25 | C26 | H4 | 180.0° | 179.7° |
| C26 | C25 | C21 | C20 | 0.6° | 0.1° |
| C25 | C26 | C18 | H4 | 180.0° | 179.4° |
| C25 | C26 | C18 | C19 | 0.5° | 0.6° |
| C25 | C26 | C18 | C16 | 179.1° | 179.4° |
| C21 | C20 | C19 | H3 | 180.0° | 179.7° |
| C21 | C20 | C19 | C18 | 0.1° | 0.2° |
| C21 | C20 | C19 | H14 | 179.9° | 179.7° |
| C20 | C21 | C25 | H15 | 179.3° | 180.0° |
| C26 | C18 | C19 | C20 | 0.5° | 0.5° |
| C26 | C18 | C19 | C16 | 178.6° | 180.0° |
| C26 | C18 | C16 | O17 | 24.3° | 0.0° |
| C26 | C18 | C16 | O15 | 154.2° | 180.0° |
| C26 | C18 | C19 | H14 | 179.5° | 179.5° |
| C18 | C26 | C25 | H15 | 180.0° | 179.7° |
| C20 | C19 | C18 | H14 | 180.0° | 180.0° |
| C20 | C19 | C18 | C16 | 179.1° | 179.5° |
| C19 | C18 | C16 | O17 | 157.1° | 180.0° |
| C19 | C18 | C16 | O15 | 24.4° | 0.0° |
| C18 | C19 | C20 | H3 | 179.9° | 180.0° |
| C19 | C18 | C26 | H4 | 179.4° | 180.0° |
| C18 | C16 | O17 | O15 | 178.4° | 180.0° |
| C18 | C16 | O15 | C14 | 160.8° | 180.0° |
| C16 | C18 | C26 | H4 | 0.9° | 0.0° |
| C16 | C18 | C19 | H14 | 0.9° | 0.5° |
| O17 | C16 | O15 | C14 | 17.7° | 0.0° |
| C16 | O15 | C14 | C13 | 78.6° | 180.0° |
| C16 | O15 | C14 | H12 | 161.3° | 60.0° |
| C16 | O15 | C14 | H13 | 41.5° | 60.0° |
| O15 | C14 | C13 | H12 | 120.1° | 120.1° |
| O15 | C14 | C13 | H13 | 120.1° | 120.0° |
| O15 | C14 | C13 | C12 | 59.0° | 180.0° |
| O15 | C14 | C13 | H1 | 179.7° | 59.9° |
| O15 | C14 | C13 | H2 | 61.8° | 60.0° |
| O15 | C14 | H12 | H13 | 119.7° | 120.0° |
| C14 | C13 | C12 | H1 | 120.8° | 120.0° |
| C14 | C13 | C12 | H2 | 120.7° | 120.0° |
| C14 | C13 | C12 | C11 | 48.8° | 180.0° |
| C14 | C13 | H1 | H2 | 117.6° | 119.9° |
| C14 | C13 | C12 | H10 | 169.7° | 60.0° |
| C14 | C13 | C12 | H11 | 72.1° | 60.0° |
| C13 | C14 | H12 | H13 | 119.8° | 119.9° |
| C13 | C12 | C11 | H10 | 120.9° | 120.0° |
| C13 | C12 | C11 | H11 | 120.9° | 120.0° |
| C13 | C12 | C11 | O10 | 173.8° | 180.0° |
| C12 | C13 | H1 | H2 | 117.6° | 120.1° |
| C13 | C12 | C11 | H8 | 54.3° | 60.0° |
| C13 | C12 | C11 | H9 | 66.7° | 60.0° |
| C13 | C12 | H10 | H11 | 117.2° | 120.0° |
| C12 | C13 | C14 | H12 | 61.1° | 60.0° |
| C12 | C13 | C14 | H13 | 179.1° | 60.0° |
| C12 | C11 | O10 | H8 | 119.5° | 120.0° |
| C12 | C11 | O10 | H9 | 119.5° | 120.1° |
| C12 | C11 | O10 | C08 | 170.8° | 180.0° |
| C11 | C12 | C13 | H1 | 72.0° | 60.0° |
| C11 | C12 | C13 | H2 | 169.5° | 60.0° |
| C12 | C11 | H8 | H9 | 121.5° | 120.0° |
| C11 | C12 | H10 | H11 | 117.2° | 120.0° |
| C11 | O10 | C08 | O09 | 15.1° | 0.1° |
| C11 | O10 | C08 | C07 | 164.5° | 180.0° |
| O10 | C11 | H8 | H9 | 121.4° | 120.0° |
| O10 | C11 | C12 | H10 | 65.3° | 60.0° |
| O10 | C11 | C12 | H11 | 52.9° | 59.9° |
| O10 | C08 | O09 | C07 | 179.6° | 180.0° |
| O10 | C08 | C07 | C27 | 12.2° | 0.3° |
| O10 | C08 | C07 | C06 | 168.2° | 180.0° |
| C08 | O10 | C11 | H8 | 69.7° | 60.0° |
| C08 | O10 | C11 | H9 | 51.3° | 59.9° |
| O09 | C08 | C07 | C27 | 167.4° | 179.7° |
| O09 | C08 | C07 | C06 | 12.2° | 0.0° |
| C08 | C07 | C27 | C06 | 179.6° | 179.7° |
| C08 | C07 | C27 | C28 | 179.5° | 179.8° |
| C08 | C07 | C06 | C05 | 179.8° | 180.0° |
| C08 | C07 | C06 | H7 | 0.2° | 0.0° |
| C08 | C07 | C27 | H16 | 0.5° | 0.3° |
| C07 | C27 | C28 | H16 | 180.0° | 179.4° |
| C07 | C27 | C28 | C04 | 0.3° | 0.6° |
| C27 | C07 | C06 | C05 | 0.2° | 0.3° |
| C07 | C27 | C28 | H5 | 179.7° | 179.7° |
| C27 | C07 | C06 | H7 | 179.9° | 179.7° |
| C28 | C27 | C07 | C06 | 0.1° | 0.6° |
| C27 | C28 | C04 | H5 | 180.0° | 179.7° |
| C27 | C28 | C04 | C05 | 0.2° | 0.3° |
| C27 | C28 | C04 | C02 | 179.6° | 179.7° |
| C07 | C06 | C05 | H7 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 0.3° | 0.0° |
| C07 | C06 | C05 | H6 | 179.8° | 180.0° |
| C06 | C07 | C27 | H16 | 179.9° | 180.0° |
| C28 | C04 | C05 | C06 | 0.1° | 0.0° |
| C28 | C04 | C02 | O01 | 36.9° | 0.0° |
| C28 | C04 | C05 | C02 | 179.8° | 180.0° |
| C28 | C04 | C02 | O03 | 143.9° | 180.0° |
| C28 | C04 | C05 | H6 | 179.9° | 180.0° |
| C04 | C28 | C27 | H16 | 179.7° | 180.0° |
| C06 | C05 | C04 | H6 | 180.0° | 180.0° |
| C06 | C05 | C04 | C02 | 179.9° | 180.0° |
| O01 | C02 | C04 | C05 | 142.9° | 180.0° |
| O01 | C02 | C04 | O03 | 179.2° | 180.0° |
| O01 | C02 | O03 | H17 | 0.0° | 0.0° |
| C05 | C04 | C02 | O03 | 36.3° | 0.0° |
| C05 | C04 | C28 | H5 | 179.8° | 180.0° |
| C04 | C05 | C06 | H7 | 179.8° | 180.0° |
| C02 | C04 | C28 | H5 | 0.4° | 0.0° |
| C02 | C04 | C05 | H6 | 0.1° | 0.1° |
| C04 | C02 | O03 | H17 | 179.2° | 179.9° |
| H1 | C13 | C12 | H10 | 48.9° | 60.0° |
| H1 | C13 | C12 | H11 | 167.1° | 180.0° |
| H1 | C13 | C14 | H12 | 59.7° | 180.0° |
| H1 | C13 | C14 | H13 | 60.2° | 60.0° |
| H2 | C13 | C12 | H10 | 69.6° | 180.0° |
| H2 | C13 | C12 | H11 | 48.6° | 60.0° |
| H2 | C13 | C14 | H12 | 178.2° | 60.0° |
| H2 | C13 | C14 | H13 | 58.3° | 180.0° |
| H3 | C20 | C19 | H14 | 0.1° | 0.0° |
| H4 | C26 | C25 | H15 | 0.0° | 0.3° |
| H5 | C28 | C27 | H16 | 0.3° | 0.3° |
| H6 | C05 | C06 | H7 | 0.2° | 0.0° |
| H8 | C11 | C12 | H10 | 175.2° | 180.0° |
| H8 | C11 | C12 | H11 | 66.6° | 60.1° |
| H9 | C11 | C12 | H10 | 54.2° | 60.1° |
| H9 | C11 | C12 | H11 | 172.4° | 180.0° |
