A1EBI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C20 | doub | 1.37Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.36Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | N26 | sing | 1.36Å | 1.43Å | Aromatic |
| C22 | C23 | doub | 1.41Å | 1.41Å | Aromatic |
| N26 | C25 | doub | 1.30Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| F01 | C02 | sing | 1.35Å | 1.33Å | |
| C23 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | N24 | sing | 1.38Å | 1.41Å | Aromatic |
| O04 | C03 | sing | 1.36Å | 1.37Å | |
| C02 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
| C02 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.51Å | |
| C25 | N24 | sing | 1.36Å | 1.33Å | Aromatic |
| C03 | C05 | sing | 1.39Å | 1.36Å | Aromatic |
| C29 | C08 | doub | 1.40Å | 1.40Å | Aromatic |
| C05 | F06 | sing | 1.35Å | 1.34Å | |
| C05 | C07 | doub | 1.38Å | 1.41Å | Aromatic |
| C08 | C07 | sing | 1.40Å | 1.40Å | Aromatic |
| C08 | C09 | sing | 1.46Å | 1.47Å | |
| C09 | C10 | doub | 1.38Å | 1.33Å | |
| C10 | N11 | sing | 1.36Å | 1.38Å | |
| C10 | C27 | sing | 1.47Å | 1.50Å | |
| N11 | C12 | doub | 1.31Å | 1.31Å | |
| N14 | C13 | doub | 1.30Å | 1.29Å | |
| N14 | O15 | sing | 1.42Å | 1.40Å | |
| C12 | C13 | sing | 1.47Å | 1.48Å | |
| C12 | N16 | sing | 1.38Å | 1.36Å | |
| C27 | O28 | doub | 1.22Å | 1.21Å | |
| C27 | N16 | sing | 1.35Å | 1.37Å | |
| N16 | C17 | sing | 1.47Å | 1.46Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| C25 | H9 | sing | 1.08Å | 1.08Å | |
| C29 | H10 | sing | 1.08Å | 1.08Å | |
| N24 | H13 | sing | 0.97Å | 1.00Å | |
| O04 | H15 | sing | 0.97Å | 0.95Å | |
| O15 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C21 | C22 | 117.4° | 119.9° |
| C21 | C20 | C19 | 122.6° | 120.6° |
| C21 | C20 | H4 | 118.7° | 119.6° |
| C20 | C21 | H5 | 121.3° | 120.0° |
| C21 | C22 | N26 | 128.9° | 133.6° |
| C21 | C22 | C23 | 120.8° | 119.5° |
| C22 | C21 | H5 | 121.3° | 120.1° |
| C20 | C19 | C18 | 120.1° | 120.5° |
| C19 | C20 | H4 | 118.7° | 119.7° |
| C20 | C19 | H8 | 119.9° | 119.8° |
| N26 | C22 | C23 | 110.3° | 106.9° |
| C22 | N26 | C25 | 100.8° | 109.6° |
| C22 | C23 | C18 | 123.0° | 119.8° |
| C22 | C23 | N24 | 106.7° | 106.0° |
| N26 | C25 | N24 | 116.7° | 110.1° |
| N26 | C25 | H9 | 121.7° | 124.9° |
| C19 | C18 | C23 | 116.0° | 119.7° |
| C19 | C18 | C17 | 118.1° | 120.2° |
| C18 | C19 | H8 | 119.9° | 119.7° |
| F01 | C02 | C03 | 119.9° | 120.0° |
| F01 | C02 | C29 | 118.8° | 119.9° |
| C18 | C23 | N24 | 130.3° | 134.2° |
| C23 | C18 | C17 | 125.8° | 120.1° |
| C23 | N24 | C25 | 105.5° | 107.3° |
| C23 | N24 | H13 | 127.2° | 126.4° |
| O04 | C03 | C02 | 125.2° | 119.8° |
| O04 | C03 | C05 | 117.2° | 119.9° |
| C03 | O04 | H15 | 109.5° | 114.0° |
| C03 | C02 | C29 | 121.3° | 120.1° |
| C02 | C03 | C05 | 117.7° | 120.3° |
| C02 | C29 | C08 | 121.6° | 119.9° |
| C02 | C29 | H10 | 119.2° | 120.1° |
| C18 | C17 | N16 | 109.9° | 109.5° |
| C18 | C17 | H2 | 109.4° | 109.5° |
| C18 | C17 | H3 | 109.4° | 109.4° |
| N24 | C25 | H9 | 121.7° | 125.0° |
| C25 | N24 | H13 | 127.2° | 126.3° |
| C03 | C05 | F06 | 112.6° | 119.9° |
| C03 | C05 | C07 | 122.5° | 120.1° |
| C29 | C08 | C07 | 116.8° | 119.7° |
| C29 | C08 | C09 | 121.1° | 120.1° |
| C08 | C29 | H10 | 119.2° | 120.0° |
| F06 | C05 | C07 | 124.9° | 119.9° |
| C05 | C07 | C08 | 120.2° | 119.8° |
| C05 | C07 | H6 | 119.9° | 120.1° |
| C07 | C08 | C09 | 122.0° | 120.1° |
| C08 | C07 | H6 | 119.9° | 120.1° |
| C08 | C09 | C10 | 128.4° | 120.0° |
| C08 | C09 | H7 | 115.8° | 120.0° |
| C09 | C10 | N11 | 129.2° | 126.9° |
| C09 | C10 | C27 | 122.4° | 127.0° |
| C10 | C09 | H7 | 115.8° | 120.0° |
| N11 | C10 | C27 | 108.4° | 106.1° |
| C10 | N11 | C12 | 104.1° | 109.4° |
| C10 | C27 | O28 | 127.3° | 127.3° |
| C10 | C27 | N16 | 104.5° | 105.5° |
| N11 | C12 | C13 | 120.0° | 124.5° |
| N11 | C12 | N16 | 116.8° | 110.9° |
| C13 | N14 | O15 | 109.8° | 120.0° |
| N14 | C13 | C12 | 116.1° | 120.0° |
| N14 | C13 | H1 | 121.9° | 120.0° |
| N14 | O15 | H16 | 109.5° | 114.0° |
| C13 | C12 | N16 | 122.6° | 124.5° |
| C12 | C13 | H1 | 121.9° | 120.0° |
| C12 | N16 | C27 | 106.0° | 108.1° |
| C12 | N16 | C17 | 130.4° | 125.9° |
| O28 | C27 | N16 | 128.3° | 127.2° |
| C27 | N16 | C17 | 123.6° | 125.9° |
| N16 | C17 | H2 | 109.4° | 109.5° |
| N16 | C17 | H3 | 109.4° | 109.5° |
| H2 | C17 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C21 | C22 | H5 | 180.0° | 179.9° |
| C21 | C20 | C19 | H4 | 180.0° | 179.7° |
| C20 | C21 | C22 | N26 | 178.7° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C21 | C20 | C19 | C18 | 0.3° | 0.3° |
| C21 | C20 | C19 | H8 | 179.7° | 179.7° |
| C22 | C21 | C20 | C19 | 0.6° | 0.0° |
| C21 | C22 | N26 | C23 | 178.8° | 180.0° |
| C21 | C22 | N26 | C25 | 180.0° | 179.9° |
| C21 | C22 | C23 | C18 | 0.8° | 0.3° |
| C21 | C22 | C23 | N24 | 179.8° | 179.9° |
| C22 | C21 | C20 | H4 | 179.4° | 179.7° |
| C20 | C19 | C18 | H8 | 180.0° | 180.0° |
| C20 | C19 | C18 | C23 | 0.4° | 0.6° |
| C20 | C19 | C18 | C17 | 178.3° | 179.9° |
| C19 | C20 | C21 | H5 | 179.4° | 180.0° |
| N26 | C22 | C23 | C18 | 179.7° | 179.7° |
| N26 | C22 | C23 | N24 | 0.8° | 0.0° |
| C22 | N26 | C25 | N24 | 1.3° | 0.0° |
| N26 | C22 | C21 | H5 | 1.4° | 0.1° |
| C22 | N26 | C25 | H9 | 178.7° | 180.0° |
| C23 | C22 | N26 | C25 | 1.2° | 0.0° |
| C22 | C23 | C18 | C19 | 1.0° | 0.6° |
| C22 | C23 | C18 | N24 | 179.4° | 179.7° |
| C22 | C23 | C18 | C17 | 178.7° | 180.0° |
| C22 | C23 | N24 | C25 | 0.0° | 0.0° |
| C23 | C22 | C21 | H5 | 179.9° | 180.0° |
| C22 | C23 | N24 | H13 | 180.0° | 180.0° |
| N26 | C25 | N24 | C23 | 0.8° | 0.0° |
| N26 | C25 | N24 | H9 | 180.0° | 179.9° |
| N26 | C25 | N24 | H13 | 179.2° | 180.0° |
| C19 | C18 | C23 | C17 | 177.7° | 179.4° |
| C19 | C18 | C23 | N24 | 179.7° | 179.8° |
| C19 | C18 | C17 | N16 | 1.5° | 100.0° |
| C19 | C18 | C17 | H2 | 118.6° | 20.1° |
| C19 | C18 | C17 | H3 | 121.5° | 140.0° |
| C18 | C19 | C20 | H4 | 179.7° | 180.0° |
| F01 | C02 | C03 | O04 | 0.1° | 0.4° |
| F01 | C02 | C03 | C29 | 179.4° | 179.6° |
| F01 | C02 | C03 | C05 | 179.7° | 179.7° |
| F01 | C02 | C29 | C08 | 179.7° | 179.7° |
| F01 | C02 | C29 | H10 | 0.3° | 0.3° |
| C18 | C23 | N24 | C25 | 179.5° | 179.7° |
| C23 | C18 | C17 | N16 | 179.1° | 79.4° |
| C23 | C18 | C17 | H2 | 59.1° | 160.6° |
| C23 | C18 | C17 | H3 | 60.8° | 40.6° |
| C23 | C18 | C19 | H8 | 179.5° | 179.4° |
| C18 | C23 | N24 | H13 | 0.5° | 0.3° |
| N24 | C23 | C18 | C17 | 1.9° | 0.4° |
| C23 | N24 | C25 | H13 | 180.0° | 180.0° |
| C23 | N24 | C25 | H9 | 179.2° | 180.0° |
| O04 | C03 | C02 | C05 | 179.8° | 179.9° |
| O04 | C03 | C02 | C29 | 179.6° | 180.0° |
| O04 | C03 | C05 | F06 | 0.0° | 0.1° |
| O04 | C03 | C05 | C07 | 179.9° | 179.9° |
| C03 | C02 | C29 | C08 | 0.9° | 0.1° |
| C02 | C03 | C05 | F06 | 179.8° | 180.0° |
| C02 | C03 | C05 | C07 | 0.0° | 0.0° |
| C03 | C02 | C29 | H10 | 179.1° | 180.0° |
| C02 | C03 | O04 | H15 | 180.0° | 90.1° |
| C29 | C02 | C03 | C05 | 0.3° | 0.1° |
| C02 | C29 | C08 | H10 | 180.0° | 180.0° |
| C02 | C29 | C08 | C07 | 1.1° | 0.1° |
| C02 | C29 | C08 | C09 | 178.7° | 180.0° |
| C18 | C17 | N16 | C12 | 82.4° | 90.1° |
| C18 | C17 | N16 | C27 | 97.1° | 90.0° |
| C18 | C17 | N16 | H2 | 120.1° | 120.0° |
| C18 | C17 | N16 | H3 | 120.1° | 120.0° |
| C18 | C17 | H2 | H3 | 119.8° | 119.9° |
| C17 | C18 | C19 | H8 | 1.6° | 0.0° |
| C03 | C05 | F06 | C07 | 179.8° | 180.0° |
| C03 | C05 | C07 | C08 | 0.3° | 0.0° |
| C03 | C05 | C07 | H6 | 179.7° | 180.0° |
| C05 | C03 | O04 | H15 | 0.2° | 90.0° |
| C29 | C08 | C07 | C05 | 0.8° | 0.0° |
| C29 | C08 | C07 | C09 | 177.5° | 179.9° |
| C29 | C08 | C09 | C10 | 163.6° | 173.9° |
| C29 | C08 | C07 | H6 | 179.2° | 180.0° |
| C29 | C08 | C09 | H7 | 16.4° | 6.1° |
| F06 | C05 | C07 | C08 | 179.9° | 180.0° |
| F06 | C05 | C07 | H6 | 0.1° | 0.0° |
| C05 | C07 | C08 | H6 | 180.0° | 180.0° |
| C05 | C07 | C08 | C09 | 178.3° | 180.0° |
| C07 | C08 | C09 | C10 | 13.8° | 6.0° |
| C07 | C08 | C09 | H7 | 166.2° | 174.0° |
| C07 | C08 | C29 | H10 | 178.9° | 180.0° |
| C08 | C09 | C10 | H7 | 180.0° | 180.0° |
| C08 | C09 | C10 | N11 | 3.4° | 5.2° |
| C08 | C09 | C10 | C27 | 178.2° | 175.1° |
| C09 | C08 | C07 | H6 | 1.7° | 0.1° |
| C09 | C08 | C29 | H10 | 1.3° | 0.0° |
| C09 | C10 | N11 | C27 | 178.5° | 179.7° |
| C09 | C10 | N11 | C12 | 178.0° | 179.7° |
| C09 | C10 | C27 | O28 | 0.3° | 0.3° |
| C09 | C10 | C27 | N16 | 179.9° | 179.8° |
| C10 | N11 | C12 | C13 | 176.0° | 180.0° |
| C10 | N11 | C12 | N16 | 4.7° | 0.1° |
| N11 | C10 | C27 | O28 | 178.4° | 179.9° |
| N11 | C10 | C27 | N16 | 1.5° | 0.0° |
| N11 | C10 | C09 | H7 | 176.6° | 174.8° |
| C27 | C10 | N11 | C12 | 3.5° | 0.0° |
| C10 | C27 | N16 | C12 | 1.2° | 0.1° |
| C10 | C27 | O28 | N16 | 179.8° | 179.9° |
| C10 | C27 | N16 | C17 | 179.2° | 180.0° |
| C27 | C10 | C09 | H7 | 1.8° | 4.9° |
| N11 | C12 | C13 | N14 | 9.2° | 0.0° |
| N11 | C12 | C13 | N16 | 170.7° | 179.9° |
| N11 | C12 | N16 | C27 | 3.9° | 0.1° |
| N11 | C12 | N16 | C17 | 176.6° | 180.0° |
| N11 | C12 | C13 | H1 | 170.8° | 180.0° |
| N14 | C13 | C12 | H1 | 180.0° | 179.9° |
| N14 | C13 | C12 | N16 | 179.9° | 180.0° |
| C13 | N14 | O15 | H16 | 180.0° | 180.0° |
| O15 | N14 | C13 | C12 | 178.5° | 180.0° |
| O15 | N14 | C13 | H1 | 1.4° | 0.0° |
| C13 | C12 | N16 | C27 | 174.9° | 180.0° |
| C13 | C12 | N16 | C17 | 5.6° | 0.1° |
| C12 | N16 | C27 | O28 | 179.0° | 180.0° |
| C12 | N16 | C27 | C17 | 179.6° | 179.9° |
| N16 | C12 | C13 | H1 | 0.1° | 0.1° |
| C12 | N16 | C17 | H2 | 37.6° | 30.0° |
| C12 | N16 | C17 | H3 | 157.5° | 150.0° |
| O28 | C27 | N16 | C17 | 0.6° | 0.1° |
| C27 | N16 | C17 | H2 | 142.9° | 149.9° |
| C27 | N16 | C17 | H3 | 23.0° | 29.9° |
| N16 | C17 | H2 | H3 | 119.8° | 120.0° |
| H4 | C20 | C21 | H5 | 0.6° | 0.4° |
| H4 | C20 | C19 | H8 | 0.3° | 0.0° |
| H9 | C25 | N24 | H13 | 0.8° | 0.0° |
