A1EO6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | C23 | sing | 1.43Å | 1.38Å | |
| O22 | C21 | sing | 1.36Å | 1.42Å | |
| C24 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C26 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C26 | O27 | sing | 1.36Å | 1.49Å | |
| C19 | C17 | sing | 1.48Å | 1.56Å | |
| C28 | O27 | sing | 1.43Å | 1.44Å | |
| C17 | O18 | doub | 1.22Å | 1.19Å | |
| C17 | N16 | sing | 1.35Å | 1.47Å | |
| N16 | C15 | sing | 1.39Å | 1.48Å | |
| C15 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| C15 | C10 | sing | 1.41Å | 1.46Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.44Å | Aromatic |
| C10 | C09 | doub | 1.40Å | 1.46Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.37Å | 1.41Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.42Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.46Å | Aromatic |
| C11 | C06 | doub | 1.40Å | 1.42Å | Aromatic |
| C12 | N03 | sing | 1.39Å | 1.51Å | |
| C08 | C07 | doub | 1.39Å | 1.42Å | Aromatic |
| C06 | C07 | sing | 1.39Å | 1.44Å | Aromatic |
| C06 | C04 | sing | 1.47Å | 1.53Å | |
| C01 | C02 | sing | 1.53Å | 1.57Å | |
| N03 | C04 | sing | 1.36Å | 1.45Å | |
| N03 | C02 | sing | 1.47Å | 1.49Å | |
| C04 | O05 | doub | 1.22Å | 1.20Å | |
| C28 | H1 | sing | 1.09Å | 1.10Å | |
| C28 | H2 | sing | 1.09Å | 1.10Å | |
| C28 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C23 | H5 | sing | 1.09Å | 1.10Å | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C02 | H12 | sing | 1.09Å | 1.10Å | |
| C02 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.08Å | 1.08Å | |
| C08 | H15 | sing | 1.08Å | 1.08Å | |
| C09 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H17 | sing | 1.08Å | 1.08Å | |
| N16 | H18 | sing | 0.97Å | 1.00Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | O22 | C21 | 114.0° | 117.0° |
| O22 | C23 | H5 | 109.5° | 109.5° |
| O22 | C23 | H6 | 109.4° | 109.5° |
| O22 | C23 | H7 | 109.5° | 109.5° |
| O22 | C21 | C24 | 120.1° | 119.9° |
| O22 | C21 | C20 | 119.9° | 119.9° |
| C21 | C24 | C25 | 120.0° | 120.3° |
| C24 | C21 | C20 | 120.0° | 120.2° |
| C21 | C24 | H4 | 120.0° | 119.8° |
| C24 | C25 | C26 | 119.9° | 120.2° |
| C25 | C24 | H4 | 120.0° | 119.8° |
| C24 | C25 | H20 | 120.0° | 119.9° |
| C21 | C20 | C19 | 120.1° | 119.8° |
| C21 | C20 | H19 | 120.0° | 120.1° |
| C25 | C26 | C19 | 120.0° | 119.8° |
| C25 | C26 | O27 | 120.4° | 120.1° |
| C26 | C25 | H20 | 120.1° | 119.9° |
| C20 | C19 | C26 | 120.0° | 119.7° |
| C20 | C19 | C17 | 119.9° | 120.1° |
| C19 | C20 | H19 | 119.9° | 120.1° |
| C19 | C26 | O27 | 119.5° | 120.1° |
| C26 | C19 | C17 | 120.1° | 120.2° |
| C26 | O27 | C28 | 114.3° | 117.0° |
| C19 | C17 | O18 | 120.0° | 120.0° |
| C19 | C17 | N16 | 120.0° | 120.0° |
| O27 | C28 | H1 | 109.5° | 109.5° |
| O27 | C28 | H2 | 109.4° | 109.5° |
| O27 | C28 | H3 | 109.4° | 109.5° |
| O18 | C17 | N16 | 119.9° | 120.0° |
| C17 | N16 | C15 | 119.9° | 120.0° |
| C17 | N16 | H18 | 120.0° | 120.0° |
| N16 | C15 | C14 | 119.9° | 120.9° |
| N16 | C15 | C10 | 119.9° | 120.9° |
| C15 | N16 | H18 | 120.0° | 120.0° |
| C14 | C15 | C10 | 119.9° | 118.2° |
| C15 | C14 | C13 | 119.8° | 123.0° |
| C15 | C14 | H8 | 120.1° | 118.5° |
| C15 | C10 | C09 | 117.1° | 125.7° |
| C15 | C10 | C11 | 119.9° | 117.0° |
| C14 | C13 | C12 | 119.9° | 120.2° |
| C13 | C14 | H8 | 120.1° | 118.6° |
| C14 | C13 | H17 | 120.0° | 120.0° |
| C09 | C10 | C11 | 119.8° | 117.3° |
| C10 | C09 | C08 | 119.9° | 119.0° |
| C10 | C09 | H16 | 120.1° | 120.5° |
| C10 | C11 | C12 | 119.9° | 125.3° |
| C10 | C11 | C06 | 120.0° | 124.2° |
| C09 | C08 | C07 | 119.9° | 123.1° |
| C09 | C08 | H15 | 120.0° | 118.4° |
| C08 | C09 | H16 | 120.0° | 120.5° |
| C13 | C12 | C11 | 119.9° | 116.3° |
| C13 | C12 | N03 | 127.5° | 136.8° |
| C12 | C13 | H17 | 120.0° | 119.9° |
| C12 | C11 | C06 | 109.6° | 110.5° |
| C11 | C12 | N03 | 107.9° | 106.9° |
| C11 | C06 | C07 | 119.9° | 116.7° |
| C11 | C06 | C04 | 107.8° | 104.3° |
| C12 | N03 | C04 | 107.2° | 110.3° |
| C12 | N03 | C02 | 125.9° | 124.8° |
| C08 | C07 | C06 | 120.0° | 119.7° |
| C08 | C07 | H14 | 120.0° | 120.1° |
| C07 | C08 | H15 | 120.1° | 118.5° |
| C07 | C06 | C04 | 127.7° | 139.0° |
| C06 | C07 | H14 | 120.0° | 120.2° |
| C06 | C04 | N03 | 107.2° | 108.0° |
| C06 | C04 | O05 | 125.7° | 126.0° |
| C01 | C02 | N03 | 110.4° | 109.4° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.5° | 109.5° |
| C02 | C01 | H11 | 109.4° | 109.5° |
| C01 | C02 | H12 | 109.2° | 109.5° |
| C01 | C02 | H13 | 109.3° | 109.5° |
| C04 | N03 | C02 | 126.1° | 124.9° |
| N03 | C04 | O05 | 125.9° | 126.0° |
| N03 | C02 | H12 | 109.2° | 109.5° |
| N03 | C02 | H13 | 109.2° | 109.5° |
| H1 | C28 | H2 | 109.5° | 109.4° |
| H1 | C28 | H3 | 109.5° | 109.4° |
| H2 | C28 | H3 | 109.5° | 109.5° |
| H5 | C23 | H6 | 109.5° | 109.5° |
| H5 | C23 | H7 | 109.5° | 109.4° |
| H6 | C23 | H7 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.4° | 109.5° |
| H9 | C01 | H11 | 109.5° | 109.5° |
| H10 | C01 | H11 | 109.5° | 109.5° |
| H12 | C02 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | O22 | C21 | C24 | 179.7° | 0.0° |
| C23 | O22 | C21 | C20 | 1.8° | 179.2° |
| O22 | C23 | H5 | H6 | 120.0° | 120.0° |
| O22 | C23 | H5 | H7 | 120.0° | 120.0° |
| O22 | C23 | H6 | H7 | 120.0° | 120.0° |
| O22 | C21 | C24 | C20 | 177.9° | 179.2° |
| O22 | C21 | C24 | C25 | 178.1° | 180.0° |
| O22 | C21 | C20 | C19 | 178.1° | 179.7° |
| O22 | C21 | C24 | H4 | 1.9° | 0.8° |
| C21 | O22 | C23 | H5 | 180.0° | 60.0° |
| C21 | O22 | C23 | H6 | 60.0° | 180.0° |
| C21 | O22 | C23 | H7 | 60.0° | 59.9° |
| O22 | C21 | C20 | H19 | 1.9° | 0.2° |
| C21 | C24 | C25 | H4 | 180.0° | 179.2° |
| C21 | C24 | C25 | C26 | 0.2° | 0.5° |
| C24 | C21 | C20 | C19 | 0.1° | 0.5° |
| C24 | C21 | C20 | H19 | 179.9° | 179.4° |
| C21 | C24 | C25 | H20 | 179.8° | 180.0° |
| C25 | C24 | C21 | C20 | 0.2° | 0.8° |
| C24 | C25 | C26 | H20 | 180.0° | 179.5° |
| C24 | C25 | C26 | C19 | 0.1° | 0.0° |
| C24 | C25 | C26 | O27 | 179.9° | 179.7° |
| C21 | C20 | C19 | H19 | 180.0° | 179.9° |
| C21 | C20 | C19 | C26 | 0.0° | 0.0° |
| C21 | C20 | C19 | C17 | 177.8° | 180.0° |
| C20 | C21 | C24 | H4 | 179.8° | 179.9° |
| C25 | C26 | C19 | C20 | 0.0° | 0.3° |
| C25 | C26 | C19 | O27 | 179.9° | 179.7° |
| C25 | C26 | C19 | C17 | 177.9° | 179.7° |
| C25 | C26 | O27 | C28 | 0.7° | 0.3° |
| C26 | C25 | C24 | H4 | 179.9° | 179.7° |
| C20 | C19 | C26 | C17 | 177.8° | 180.0° |
| C20 | C19 | C26 | O27 | 179.9° | 180.0° |
| C20 | C19 | C17 | O18 | 3.7° | 180.0° |
| C20 | C19 | C17 | N16 | 179.6° | 0.0° |
| C19 | C26 | O27 | C28 | 179.1° | 180.0° |
| C26 | C19 | C17 | O18 | 178.5° | 0.0° |
| C26 | C19 | C17 | N16 | 2.6° | 180.0° |
| C26 | C19 | C20 | H19 | 180.0° | 179.9° |
| C19 | C26 | C25 | H20 | 179.9° | 179.5° |
| O27 | C26 | C19 | C17 | 2.0° | 0.0° |
| C26 | O27 | C28 | H1 | 180.0° | 60.0° |
| C26 | O27 | C28 | H2 | 60.0° | 60.0° |
| C26 | O27 | C28 | H3 | 60.0° | 179.9° |
| O27 | C26 | C25 | H20 | 0.1° | 0.2° |
| C19 | C17 | O18 | N16 | 175.9° | 179.9° |
| C19 | C17 | N16 | C15 | 166.9° | 174.5° |
| C19 | C17 | N16 | H18 | 13.2° | 5.5° |
| C17 | C19 | C20 | H19 | 2.2° | 0.0° |
| O27 | C28 | H1 | H2 | 120.0° | 120.0° |
| O27 | C28 | H1 | H3 | 120.0° | 120.0° |
| O27 | C28 | H2 | H3 | 120.0° | 120.1° |
| O18 | C17 | N16 | C15 | 17.2° | 5.6° |
| O18 | C17 | N16 | H18 | 162.7° | 174.4° |
| C17 | N16 | C15 | H18 | 180.0° | 180.0° |
| C17 | N16 | C15 | C14 | 23.3° | 24.8° |
| C17 | N16 | C15 | C10 | 162.7° | 154.9° |
| N16 | C15 | C14 | C10 | 173.9° | 179.7° |
| N16 | C15 | C14 | C13 | 173.9° | 179.8° |
| N16 | C15 | C10 | C09 | 19.1° | 0.2° |
| N16 | C15 | C10 | C11 | 178.7° | 179.8° |
| N16 | C15 | C14 | H8 | 6.1° | 0.2° |
| C15 | C14 | C13 | H8 | 180.0° | 180.0° |
| C14 | C15 | C10 | C09 | 154.9° | 180.0° |
| C14 | C15 | C10 | C11 | 4.7° | 0.1° |
| C15 | C14 | C13 | C12 | 0.0° | 0.1° |
| C15 | C14 | C13 | H17 | 180.0° | 180.0° |
| C14 | C15 | N16 | H18 | 156.7° | 155.2° |
| C10 | C15 | C14 | C13 | 0.0° | 0.1° |
| C15 | C10 | C09 | C11 | 159.6° | 180.0° |
| C15 | C10 | C09 | C08 | 155.3° | 180.0° |
| C15 | C10 | C11 | C12 | 9.2° | 0.0° |
| C15 | C10 | C11 | C06 | 150.3° | 180.0° |
| C10 | C15 | C14 | H8 | 180.0° | 180.0° |
| C15 | C10 | C09 | H16 | 24.7° | 0.0° |
| C10 | C15 | N16 | H18 | 17.3° | 25.0° |
| C14 | C13 | C12 | H17 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 4.5° | 0.1° |
| C14 | C13 | C12 | N03 | 148.2° | 180.0° |
| C10 | C09 | C08 | H16 | 180.0° | 180.0° |
| C09 | C10 | C11 | C12 | 149.8° | 180.0° |
| C09 | C10 | C11 | C06 | 8.7° | 0.0° |
| C10 | C09 | C08 | C07 | 0.1° | 0.0° |
| C10 | C09 | C08 | H15 | 179.9° | 180.0° |
| C11 | C10 | C09 | C08 | 4.3° | 0.0° |
| C10 | C11 | C12 | C13 | 9.2° | 0.0° |
| C10 | C11 | C12 | C06 | 144.7° | 180.0° |
| C10 | C11 | C12 | N03 | 148.3° | 180.0° |
| C10 | C11 | C06 | C07 | 8.8° | 0.0° |
| C10 | C11 | C06 | C04 | 149.1° | 179.9° |
| C11 | C10 | C09 | H16 | 175.7° | 180.0° |
| C09 | C08 | C07 | H15 | 180.0° | 180.0° |
| C09 | C08 | C07 | C06 | 0.0° | 0.0° |
| C09 | C08 | C07 | H14 | 180.0° | 180.0° |
| C13 | C12 | C11 | N03 | 157.5° | 179.9° |
| C13 | C12 | C11 | C06 | 153.9° | 180.0° |
| C13 | C12 | N03 | C04 | 154.1° | 179.9° |
| C13 | C12 | N03 | C02 | 35.3° | 0.1° |
| C12 | C13 | C14 | H8 | 180.0° | 180.0° |
| C12 | C11 | C06 | C07 | 153.5° | 180.0° |
| C12 | C11 | C06 | C04 | 4.4° | 0.1° |
| C11 | C12 | N03 | C04 | 1.2° | 0.0° |
| C11 | C12 | N03 | C02 | 169.4° | 180.0° |
| C11 | C12 | C13 | H17 | 175.5° | 180.0° |
| C06 | C11 | C12 | N03 | 3.6° | 0.1° |
| C11 | C06 | C07 | C08 | 4.4° | 0.0° |
| C11 | C06 | C07 | C04 | 153.1° | 179.9° |
| C11 | C06 | C04 | N03 | 3.6° | 0.1° |
| C11 | C06 | C04 | O05 | 164.7° | 180.0° |
| C11 | C06 | C07 | H14 | 175.6° | 180.0° |
| C12 | N03 | C04 | C06 | 1.4° | 0.1° |
| C12 | N03 | C02 | C01 | 74.8° | 90.0° |
| C12 | N03 | C04 | C02 | 170.6° | 180.0° |
| C12 | N03 | C04 | O05 | 166.8° | 179.9° |
| C12 | N03 | C02 | H12 | 45.4° | 30.0° |
| C12 | N03 | C02 | H13 | 165.1° | 150.0° |
| N03 | C12 | C13 | H17 | 31.7° | 0.1° |
| C08 | C07 | C06 | H14 | 180.0° | 180.0° |
| C08 | C07 | C06 | C04 | 148.7° | 179.9° |
| C07 | C08 | C09 | H16 | 180.0° | 180.0° |
| C07 | C06 | C04 | N03 | 152.1° | 180.0° |
| C07 | C06 | C04 | O05 | 39.7° | 0.1° |
| C06 | C07 | C08 | H15 | 180.0° | 180.0° |
| C06 | C04 | N03 | O05 | 168.2° | 179.9° |
| C06 | C04 | N03 | C02 | 172.1° | 180.0° |
| C04 | C06 | C07 | H14 | 31.3° | 0.1° |
| C01 | C02 | N03 | C04 | 94.2° | 90.0° |
| C01 | C02 | N03 | H12 | 120.1° | 120.0° |
| C01 | C02 | N03 | H13 | 120.2° | 120.0° |
| C02 | C01 | H9 | H10 | 120.0° | 120.0° |
| C02 | C01 | H9 | H11 | 120.0° | 120.0° |
| C02 | C01 | H10 | H11 | 120.0° | 120.0° |
| C01 | C02 | H12 | H13 | 119.6° | 120.0° |
| C04 | N03 | C02 | H12 | 145.7° | 150.0° |
| C04 | N03 | C02 | H13 | 26.0° | 30.0° |
| C02 | N03 | C04 | O05 | 3.8° | 0.1° |
| N03 | C02 | C01 | H9 | 180.0° | 60.0° |
| N03 | C02 | C01 | H10 | 60.0° | 60.0° |
| N03 | C02 | C01 | H11 | 60.0° | 180.0° |
| N03 | C02 | H12 | H13 | 119.6° | 120.1° |
| H1 | C28 | H2 | H3 | 120.0° | 119.9° |
| H4 | C24 | C25 | H20 | 0.2° | 0.8° |
| H5 | C23 | H6 | H7 | 120.0° | 120.0° |
| H8 | C14 | C13 | H17 | 0.0° | 0.0° |
| H9 | C01 | H10 | H11 | 120.0° | 120.0° |
| H9 | C01 | C02 | H12 | 59.8° | 60.0° |
| H9 | C01 | C02 | H13 | 59.9° | 180.0° |
| H10 | C01 | C02 | H12 | 60.1° | 180.0° |
| H10 | C01 | C02 | H13 | 179.8° | 60.0° |
| H11 | C01 | C02 | H12 | 179.9° | 60.0° |
| H11 | C01 | C02 | H13 | 60.1° | 60.0° |
| H14 | C07 | C08 | H15 | 0.0° | 0.0° |
| H15 | C08 | C09 | H16 | 0.0° | 0.0° |
