5EY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.37Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.37Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.37Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.36Å | Aromatic |
| C5 | C9 | sing | 1.47Å | 1.45Å | |
| C11 | C16 | doub | 1.41Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.47Å | 1.45Å | |
| C16 | C15 | sing | 1.40Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.47Å | 1.47Å | |
| C6 | C7 | sing | 1.51Å | 1.49Å | |
| C14 | C15 | doub | 1.39Å | 1.37Å | Aromatic |
| C14 | O23 | sing | 1.36Å | 1.36Å | |
| C15 | O20 | sing | 1.36Å | 1.38Å | |
| C9 | C10 | doub | 1.34Å | 1.34Å | |
| C9 | C8 | sing | 1.51Å | 1.48Å | |
| C17 | O19 | sing | 1.35Å | 1.26Å | |
| C17 | O18 | doub | 1.22Å | 1.26Å | |
| C26 | C25 | sing | 1.51Å | 1.51Å | |
| C26 | O28 | sing | 1.34Å | 1.26Å | |
| C26 | O27 | doub | 1.21Å | 1.26Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.54Å | 1.50Å | |
| C22 | O23 | sing | 1.43Å | 1.41Å | |
| C8 | O29 | sing | 1.43Å | 1.42Å | |
| C21 | C24 | sing | 1.53Å | 1.50Å | |
| C21 | O20 | sing | 1.43Å | 1.43Å | |
| C25 | C24 | sing | 1.53Å | 1.49Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | HA | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| O19 | H19 | sing | 0.97Å | 0.95Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| O28 | H28 | sing | 0.97Å | 0.95Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| O29 | H29 | sing | 0.97Å | 0.95Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C3 | C4 | 121.0° | 120.1° |
| C3 | C2 | C1 | 120.3° | 120.2° |
| C2 | C3 | H3 | 119.5° | 120.0° |
| C3 | C2 | HA | 119.8° | 119.9° |
| C3 | C4 | C5 | 117.9° | 120.1° |
| C4 | C3 | H3 | 119.5° | 119.9° |
| C3 | C4 | H4 | 121.1° | 119.9° |
| C2 | C1 | C6 | 118.5° | 120.3° |
| C1 | C2 | HA | 119.9° | 119.9° |
| C2 | C1 | H1 | 120.7° | 119.8° |
| C4 | C5 | C6 | 121.2° | 119.3° |
| C4 | C5 | C9 | 130.1° | 130.0° |
| C5 | C4 | H4 | 121.0° | 120.0° |
| C13 | C12 | C11 | 120.0° | 120.1° |
| C12 | C13 | C14 | 119.3° | 120.7° |
| C12 | C13 | H13 | 120.3° | 119.6° |
| C13 | C12 | H12 | 120.0° | 119.9° |
| C12 | C11 | C16 | 120.7° | 119.6° |
| C12 | C11 | C10 | 117.8° | 120.2° |
| C11 | C12 | H12 | 120.0° | 119.9° |
| C1 | C6 | C5 | 121.1° | 119.9° |
| C1 | C6 | C7 | 126.1° | 130.5° |
| C6 | C1 | H1 | 120.8° | 119.8° |
| C13 | C14 | C15 | 121.0° | 120.1° |
| C13 | C14 | O23 | 118.3° | 119.2° |
| C14 | C13 | H13 | 120.3° | 119.6° |
| C6 | C5 | C9 | 108.8° | 110.6° |
| C5 | C6 | C7 | 112.8° | 109.6° |
| C5 | C9 | C10 | 128.4° | 126.0° |
| C5 | C9 | C8 | 108.1° | 108.1° |
| C16 | C11 | C10 | 121.5° | 120.2° |
| C11 | C16 | C15 | 119.1° | 119.5° |
| C11 | C16 | C17 | 121.2° | 120.2° |
| C11 | C10 | C9 | 123.6° | 120.0° |
| C11 | C10 | H10 | 118.2° | 120.0° |
| C15 | C16 | C17 | 119.7° | 120.2° |
| C16 | C15 | C14 | 119.8° | 119.8° |
| C16 | C15 | O20 | 118.0° | 119.3° |
| C16 | C17 | O19 | 116.5° | 120.0° |
| C16 | C17 | O18 | 117.0° | 120.0° |
| C6 | C7 | C8 | 103.1° | 106.3° |
| C6 | C7 | H71C | 111.0° | 110.1° |
| C6 | C7 | H72C | 111.1° | 110.1° |
| C15 | C14 | O23 | 120.7° | 120.6° |
| C14 | C15 | O20 | 122.2° | 120.9° |
| C14 | O23 | C22 | 101.9° | 116.8° |
| C15 | O20 | C21 | 111.0° | 116.7° |
| C10 | C9 | C8 | 123.6° | 125.9° |
| C9 | C10 | H10 | 118.2° | 120.0° |
| C9 | C8 | C7 | 106.4° | 105.3° |
| C9 | C8 | O29 | 109.8° | 110.3° |
| C9 | C8 | H8 | 110.2° | 110.3° |
| O19 | C17 | O18 | 126.6° | 119.9° |
| C17 | O19 | H19 | 109.5° | 117.0° |
| C25 | C26 | O28 | 114.1° | 120.0° |
| C25 | C26 | O27 | 115.4° | 120.0° |
| C26 | C25 | C24 | 100.8° | 109.5° |
| C26 | C25 | H251 | 111.6° | 109.4° |
| C26 | C25 | H252 | 111.6° | 109.5° |
| O28 | C26 | O27 | 130.6° | 120.0° |
| C26 | O28 | H28 | 109.5° | 117.0° |
| C7 | C8 | O29 | 109.3° | 110.3° |
| C8 | C7 | H71C | 111.1° | 110.1° |
| C8 | C7 | H72C | 111.0° | 110.0° |
| C7 | C8 | H8 | 109.8° | 110.2° |
| C21 | C22 | O23 | 108.4° | 108.2° |
| C22 | C21 | C24 | 110.2° | 109.7° |
| C22 | C21 | O20 | 115.5° | 108.2° |
| C22 | C21 | H21 | 108.4° | 109.7° |
| C21 | C22 | H22A | 109.8° | 109.7° |
| C21 | C22 | H22B | 109.7° | 109.7° |
| O23 | C22 | H22A | 109.7° | 109.7° |
| O23 | C22 | H22B | 109.7° | 109.7° |
| O29 | C8 | H8 | 111.2° | 110.3° |
| C8 | O29 | H29 | 109.5° | 114.0° |
| C24 | C21 | O20 | 104.9° | 109.7° |
| C21 | C24 | C25 | 101.2° | 109.4° |
| C24 | C21 | H21 | 108.4° | 109.7° |
| C21 | C24 | H241 | 111.5° | 109.5° |
| C21 | C24 | H242 | 111.5° | 109.5° |
| O20 | C21 | H21 | 109.3° | 109.8° |
| C24 | C25 | H251 | 111.6° | 109.5° |
| C24 | C25 | H252 | 111.6° | 109.5° |
| C25 | C24 | H241 | 111.5° | 109.5° |
| C25 | C24 | H242 | 111.5° | 109.4° |
| H71C | C7 | H72C | 109.5° | 110.1° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.4° | 109.5° |
| H22A | C22 | H22B | 109.4° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C3 | C4 | H3 | 180.0° | 179.8° |
| C3 | C2 | C1 | HA | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C3 | C2 | C1 | C6 | 0.0° | 0.0° |
| C2 | C3 | C4 | H4 | 179.8° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.2° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | C9 | 179.8° | 180.0° |
| C4 | C3 | C2 | HA | 179.8° | 179.9° |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C2 | C1 | C6 | C7 | 179.9° | 180.0° |
| C1 | C2 | C3 | H3 | 179.8° | 179.7° |
| C4 | C5 | C6 | C1 | 0.0° | 0.0° |
| C4 | C5 | C6 | C9 | 179.7° | 180.0° |
| C4 | C5 | C6 | C7 | 179.8° | 180.0° |
| C4 | C5 | C9 | C10 | 6.3° | 0.1° |
| C4 | C5 | C9 | C8 | 173.7° | 180.0° |
| C5 | C4 | C3 | H3 | 179.8° | 179.8° |
| C13 | C12 | C11 | H12 | 180.0° | 179.8° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C13 | C12 | C11 | C16 | 0.5° | 0.1° |
| C13 | C12 | C11 | C10 | 179.3° | 180.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.1° |
| C12 | C13 | C14 | O23 | 179.8° | 179.6° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C12 | C11 | C16 | C10 | 178.8° | 179.9° |
| C12 | C11 | C16 | C15 | 0.6° | 0.0° |
| C12 | C11 | C16 | C17 | 179.9° | 179.9° |
| C12 | C11 | C10 | C9 | 50.9° | 48.4° |
| C11 | C12 | C13 | H13 | 179.9° | 179.9° |
| C12 | C11 | C10 | H10 | 129.1° | 131.7° |
| C1 | C6 | C5 | C7 | 179.8° | 180.0° |
| C1 | C6 | C5 | C9 | 179.8° | 180.0° |
| C1 | C6 | C7 | C8 | 174.0° | 179.9° |
| C6 | C1 | C2 | HA | 180.0° | 179.9° |
| C1 | C6 | C7 | H71C | 55.0° | 60.8° |
| C1 | C6 | C7 | H72C | 67.1° | 60.7° |
| C13 | C14 | C15 | C16 | 0.2° | 0.2° |
| C13 | C14 | C15 | O23 | 180.0° | 179.7° |
| C13 | C14 | C15 | O20 | 180.0° | 179.6° |
| C13 | C14 | O23 | C22 | 133.2° | 162.8° |
| C14 | C13 | C12 | H12 | 179.9° | 179.8° |
| C6 | C5 | C9 | C10 | 174.0° | 180.0° |
| C6 | C5 | C9 | C8 | 6.0° | 0.0° |
| C5 | C6 | C7 | C8 | 5.9° | 0.0° |
| C6 | C5 | C4 | H4 | 179.9° | 180.0° |
| C5 | C6 | C1 | H1 | 179.9° | 180.0° |
| C5 | C6 | C7 | H71C | 124.9° | 119.2° |
| C5 | C6 | C7 | H72C | 113.1° | 119.2° |
| C5 | C9 | C10 | C11 | 1.5° | 11.4° |
| C9 | C5 | C6 | C7 | 0.1° | 0.0° |
| C5 | C9 | C10 | C8 | 180.0° | 180.0° |
| C5 | C9 | C8 | C7 | 9.5° | 0.0° |
| C5 | C9 | C8 | O29 | 127.7° | 119.0° |
| C9 | C5 | C4 | H4 | 0.2° | 0.0° |
| C5 | C9 | C10 | H10 | 178.5° | 168.5° |
| C5 | C9 | C8 | H8 | 109.5° | 118.9° |
| C11 | C16 | C15 | C17 | 179.5° | 180.0° |
| C11 | C16 | C15 | C14 | 0.2° | 0.1° |
| C11 | C16 | C15 | O20 | 179.6° | 179.7° |
| C16 | C11 | C10 | C9 | 130.3° | 131.6° |
| C11 | C16 | C17 | O19 | 124.7° | 90.0° |
| C11 | C16 | C17 | O18 | 55.0° | 90.0° |
| C16 | C11 | C10 | H10 | 49.7° | 48.3° |
| C16 | C11 | C12 | H12 | 179.5° | 179.7° |
| C10 | C11 | C16 | C15 | 179.3° | 180.0° |
| C10 | C11 | C16 | C17 | 1.1° | 0.0° |
| C11 | C10 | C9 | H10 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 178.5° | 168.6° |
| C10 | C11 | C12 | H12 | 0.6° | 0.2° |
| C16 | C15 | C14 | O20 | 179.8° | 179.8° |
| C16 | C15 | C14 | O23 | 179.8° | 179.6° |
| C15 | C16 | C17 | O19 | 54.9° | 90.0° |
| C15 | C16 | C17 | O18 | 125.5° | 90.0° |
| C16 | C15 | O20 | C21 | 157.7° | 162.7° |
| C17 | C16 | C15 | C14 | 179.8° | 179.9° |
| C17 | C16 | C15 | O20 | 0.1° | 0.3° |
| C16 | C17 | O19 | O18 | 179.6° | 180.0° |
| C16 | C17 | O19 | H19 | 179.7° | 179.9° |
| C6 | C7 | C8 | C9 | 9.1° | 0.0° |
| C6 | C7 | C8 | H71C | 119.0° | 119.2° |
| C6 | C7 | C8 | H72C | 119.0° | 119.3° |
| C6 | C7 | C8 | O29 | 127.6° | 119.0° |
| C7 | C6 | C1 | H1 | 0.1° | 0.0° |
| C6 | C7 | H71C | H72C | 123.0° | 121.6° |
| C6 | C7 | C8 | H8 | 110.2° | 119.0° |
| C15 | C14 | O23 | C22 | 46.8° | 17.5° |
| C14 | C15 | O20 | C21 | 22.5° | 17.5° |
| C15 | C14 | C13 | H13 | 179.8° | 179.8° |
| O23 | C14 | C15 | O20 | 0.0° | 0.7° |
| C14 | O23 | C22 | C21 | 69.3° | 46.3° |
| O23 | C14 | C13 | H13 | 0.2° | 0.5° |
| C14 | O23 | C22 | H22A | 170.8° | 73.4° |
| C14 | O23 | C22 | H22B | 50.6° | 165.9° |
| C15 | O20 | C21 | C22 | 3.8° | 46.3° |
| C15 | O20 | C21 | C24 | 117.7° | 166.0° |
| C15 | O20 | C21 | H21 | 126.2° | 73.4° |
| C10 | C9 | C8 | C7 | 170.5° | 180.0° |
| C10 | C9 | C8 | O29 | 52.4° | 61.1° |
| C10 | C9 | C8 | H8 | 70.5° | 61.0° |
| C9 | C8 | C7 | O29 | 118.5° | 119.0° |
| C9 | C8 | C7 | H8 | 119.3° | 119.0° |
| C9 | C8 | O29 | H8 | 122.3° | 122.1° |
| C8 | C9 | C10 | H10 | 1.5° | 11.5° |
| C9 | C8 | C7 | H71C | 128.0° | 119.2° |
| C9 | C8 | C7 | H72C | 109.9° | 119.3° |
| C9 | C8 | O29 | H29 | 180.0° | 180.0° |
| O18 | C17 | O19 | H19 | 0.0° | 0.1° |
| C25 | C26 | O28 | O27 | 179.7° | 179.9° |
| C26 | C25 | C24 | C21 | 102.1° | 180.0° |
| C26 | C25 | C24 | H251 | 118.6° | 119.9° |
| C26 | C25 | C24 | H252 | 118.6° | 120.1° |
| C26 | C25 | H251 | H252 | 124.1° | 120.0° |
| C25 | C26 | O28 | H28 | 179.7° | 180.0° |
| C26 | C25 | C24 | H241 | 16.6° | 59.9° |
| C26 | C25 | C24 | H242 | 139.3° | 60.1° |
| O28 | C26 | C25 | C24 | 30.5° | 180.0° |
| O28 | C26 | C25 | H251 | 149.1° | 60.1° |
| O28 | C26 | C25 | H252 | 88.0° | 59.9° |
| O27 | C26 | C25 | C24 | 149.7° | 0.1° |
| O27 | C26 | C25 | H251 | 31.2° | 120.0° |
| O27 | C26 | C25 | H252 | 91.7° | 120.0° |
| O27 | C26 | O28 | H28 | 0.0° | 0.1° |
| C7 | C8 | O29 | H8 | 121.4° | 122.0° |
| C8 | C7 | H71C | H72C | 122.9° | 121.5° |
| C7 | C8 | O29 | H29 | 63.6° | 64.1° |
| C21 | C22 | O23 | H22A | 119.9° | 119.7° |
| C21 | C22 | O23 | H22B | 119.9° | 119.6° |
| C22 | C21 | C24 | O20 | 124.8° | 118.7° |
| C22 | C21 | C24 | H21 | 118.4° | 120.6° |
| C22 | C21 | O20 | H21 | 122.5° | 119.8° |
| C22 | C21 | C24 | C25 | 175.4° | 175.0° |
| C22 | C21 | C24 | H241 | 56.7° | 55.0° |
| C22 | C21 | C24 | H242 | 65.9° | 65.0° |
| C21 | C22 | H22A | H22B | 120.5° | 120.7° |
| O23 | C22 | C21 | C24 | 67.0° | 179.4° |
| O23 | C22 | C21 | O20 | 51.6° | 59.7° |
| O23 | C22 | C21 | H21 | 174.5° | 60.0° |
| O23 | C22 | H22A | H22B | 120.5° | 120.6° |
| O29 | C8 | C7 | H71C | 113.5° | 121.8° |
| O29 | C8 | C7 | H72C | 8.6° | 0.3° |
| C24 | C21 | O20 | H21 | 116.1° | 120.6° |
| C21 | C24 | C25 | H241 | 118.7° | 120.0° |
| C21 | C24 | C25 | H242 | 118.7° | 120.0° |
| C21 | C24 | C25 | H251 | 16.5° | 60.0° |
| C21 | C24 | C25 | H252 | 139.4° | 60.0° |
| C21 | C24 | H241 | H242 | 123.8° | 120.0° |
| C24 | C21 | C22 | H22A | 52.9° | 59.7° |
| C24 | C21 | C22 | H22B | 173.1° | 61.0° |
| O20 | C21 | C24 | C25 | 59.8° | 66.3° |
| O20 | C21 | C24 | H241 | 178.5° | 173.7° |
| O20 | C21 | C24 | H242 | 58.9° | 53.7° |
| O20 | C21 | C22 | H22A | 171.4° | 59.9° |
| O20 | C21 | C22 | H22B | 68.3° | 179.3° |
| C24 | C25 | H251 | H252 | 124.0° | 120.1° |
| C25 | C24 | C21 | H21 | 57.0° | 54.4° |
| C25 | C24 | H241 | H242 | 123.8° | 120.0° |
| H3 | C3 | C2 | HA | 0.2° | 0.3° |
| H3 | C3 | C4 | H4 | 0.2° | 0.2° |
| HA | C2 | C1 | H1 | 0.0° | 0.1° |
| H13 | C13 | C12 | H12 | 0.1° | 0.1° |
| H71C | C7 | C8 | H8 | 8.8° | 0.2° |
| H72C | C7 | C8 | H8 | 130.8° | 121.7° |
| H8 | C8 | O29 | H29 | 57.7° | 57.9° |
| H251 | C25 | C24 | H241 | 135.2° | 60.0° |
| H251 | C25 | C24 | H242 | 102.2° | 180.0° |
| H252 | C25 | C24 | H241 | 102.0° | 180.0° |
| H252 | C25 | C24 | H242 | 20.7° | 60.0° |
| H21 | C21 | C24 | H241 | 61.7° | 65.6° |
| H21 | C21 | C24 | H242 | 175.6° | 174.4° |
| H21 | C21 | C22 | H22A | 65.6° | 179.7° |
| H21 | C21 | C22 | H22B | 54.7° | 59.6° |
