L5Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | sing | 1.43Å | 1.42Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | N4 | sing | 1.46Å | 1.47Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| N4 | C5 | sing | 1.39Å | 1.42Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | N8 | doub | 1.33Å | 1.35Å | Aromatic |
| C7 | C15 | sing | 1.48Å | 1.47Å | |
| N8 | C9 | sing | 1.32Å | 1.34Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | F12 | sing | 1.40Å | 1.34Å | |
| C11 | F13 | sing | 1.40Å | 1.33Å | |
| C11 | F14 | sing | 1.40Å | 1.33Å | |
| C15 | N16 | doub | 1.31Å | 1.34Å | Aromatic |
| C15 | C23 | sing | 1.46Å | 1.40Å | Aromatic |
| N16 | N17 | sing | 1.40Å | 1.37Å | Aromatic |
| N17 | C18 | sing | 1.37Å | 1.36Å | Aromatic |
| N17 | HN17 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C23 | sing | 1.41Å | 1.38Å | Aromatic |
| C19 | N20 | sing | 1.32Å | 1.34Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| N20 | C21 | doub | 1.32Å | 1.34Å | Aromatic |
| C21 | C22 | sing | 1.37Å | 1.38Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | O1 | HO1 | 109.5° | 114.0° |
| O1 | C2 | C3 | 110.8° | 109.4° |
| O1 | C2 | H2 | 109.1° | 109.5° |
| O1 | C2 | H2A | 109.1° | 109.5° |
| C3 | C2 | H2 | 109.2° | 109.5° |
| C3 | C2 | H2A | 109.1° | 109.4° |
| C2 | C3 | N4 | 111.9° | 109.5° |
| C2 | C3 | H3 | 108.8° | 109.5° |
| C2 | C3 | H3A | 108.8° | 109.5° |
| H2 | C2 | H2A | 109.5° | 109.5° |
| N4 | C3 | H3 | 108.9° | 109.4° |
| N4 | C3 | H3A | 108.9° | 109.4° |
| C3 | N4 | C5 | 121.3° | 120.0° |
| C3 | N4 | HN4 | 106.4° | 120.0° |
| H3 | C3 | H3A | 109.5° | 109.5° |
| C5 | N4 | HN4 | 106.5° | 119.9° |
| N4 | C5 | C6 | 121.4° | 120.8° |
| N4 | C5 | C10 | 120.5° | 120.8° |
| C6 | C5 | C10 | 117.9° | 118.3° |
| C5 | C6 | C7 | 119.8° | 119.0° |
| C5 | C6 | H6 | 120.1° | 120.5° |
| C5 | C10 | C9 | 119.1° | 119.3° |
| C5 | C10 | H10 | 120.5° | 120.3° |
| C7 | C6 | H6 | 120.1° | 120.5° |
| C6 | C7 | N8 | 121.6° | 120.6° |
| C6 | C7 | C15 | 122.1° | 119.7° |
| N8 | C7 | C15 | 116.2° | 119.7° |
| C7 | N8 | C9 | 118.6° | 121.8° |
| C7 | C15 | N16 | 118.8° | 126.3° |
| C7 | C15 | C23 | 131.3° | 126.2° |
| N8 | C9 | C10 | 122.7° | 121.0° |
| N8 | C9 | C11 | 115.3° | 119.5° |
| C10 | C9 | C11 | 121.9° | 119.5° |
| C9 | C10 | H10 | 120.4° | 120.4° |
| C9 | C11 | F12 | 112.2° | 109.5° |
| C9 | C11 | F13 | 112.6° | 109.5° |
| C9 | C11 | F14 | 112.4° | 109.5° |
| F12 | C11 | F13 | 106.7° | 109.5° |
| F12 | C11 | F14 | 106.8° | 109.4° |
| F13 | C11 | F14 | 105.6° | 109.5° |
| N16 | C15 | C23 | 109.6° | 107.5° |
| C15 | N16 | N17 | 106.5° | 110.0° |
| C15 | C23 | C18 | 106.5° | 106.4° |
| C15 | C23 | C22 | 136.0° | 135.1° |
| N16 | N17 | C18 | 110.5° | 109.3° |
| N16 | N17 | HN17 | 124.7° | 125.4° |
| C18 | N17 | HN17 | 124.7° | 125.3° |
| N17 | C18 | C19 | 133.2° | 134.6° |
| N17 | C18 | C23 | 106.6° | 106.8° |
| C19 | C18 | C23 | 119.8° | 118.5° |
| C18 | C19 | N20 | 122.3° | 120.2° |
| C18 | C19 | H19 | 118.8° | 119.9° |
| C18 | C23 | C22 | 117.5° | 118.5° |
| N20 | C19 | H19 | 118.8° | 119.8° |
| C19 | N20 | C21 | 118.1° | 122.6° |
| N20 | C21 | C22 | 122.7° | 121.4° |
| N20 | C21 | H21 | 118.7° | 119.4° |
| C22 | C21 | H21 | 118.7° | 119.3° |
| C21 | C22 | C23 | 119.2° | 118.8° |
| C21 | C22 | H22 | 120.4° | 120.6° |
| C23 | C22 | H22 | 120.4° | 120.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C3 | H2 | 120.2° | 120.0° |
| O1 | C2 | C3 | H2A | 120.2° | 120.0° |
| O1 | C2 | H2 | H2A | 119.4° | 120.1° |
| O1 | C2 | C3 | N4 | 171.9° | 65.1° |
| O1 | C2 | C3 | H3 | 67.7° | 175.0° |
| O1 | C2 | C3 | H3A | 51.5° | 54.9° |
| HO1 | O1 | C2 | C3 | 180.0° | 180.0° |
| HO1 | O1 | C2 | H2 | 59.8° | 60.0° |
| HO1 | O1 | C2 | H2A | 59.8° | 60.1° |
| C3 | C2 | H2 | H2A | 119.4° | 120.0° |
| C2 | C3 | N4 | H3 | 120.3° | 120.0° |
| C2 | C3 | N4 | H3A | 120.3° | 120.0° |
| C2 | C3 | H3 | H3A | 118.9° | 120.1° |
| C2 | C3 | N4 | C5 | 169.1° | 180.0° |
| C2 | C3 | N4 | HN4 | 47.4° | 0.0° |
| H2 | C2 | C3 | N4 | 51.7° | 55.0° |
| H2 | C2 | C3 | H3 | 172.1° | 65.0° |
| H2 | C2 | C3 | H3A | 68.7° | 175.0° |
| H2A | C2 | C3 | N4 | 67.9° | 175.0° |
| H2A | C2 | C3 | H3 | 52.4° | 55.1° |
| H2A | C2 | C3 | H3A | 171.7° | 65.0° |
| N4 | C3 | H3 | H3A | 118.9° | 120.0° |
| C3 | N4 | C5 | HN4 | 121.7° | 180.0° |
| C3 | N4 | C5 | C6 | 28.0° | 180.0° |
| C3 | N4 | C5 | C10 | 157.3° | 0.3° |
| H3 | C3 | N4 | C5 | 70.6° | 60.0° |
| H3 | C3 | N4 | HN4 | 167.7° | 120.0° |
| H3A | C3 | N4 | C5 | 48.7° | 60.0° |
| H3A | C3 | N4 | HN4 | 72.9° | 120.0° |
| N4 | C5 | C6 | C10 | 174.9° | 179.7° |
| N4 | C5 | C6 | C7 | 178.8° | 180.0° |
| N4 | C5 | C6 | H6 | 1.2° | 0.1° |
| N4 | C5 | C10 | C9 | 177.9° | 179.7° |
| N4 | C5 | C10 | H10 | 2.1° | 0.1° |
| HN4 | N4 | C5 | C6 | 149.7° | 0.0° |
| HN4 | N4 | C5 | C10 | 35.6° | 179.7° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | N8 | 0.1° | 0.0° |
| C5 | C6 | C7 | C15 | 174.8° | 180.0° |
| C6 | C5 | C10 | C9 | 7.2° | 0.6° |
| C6 | C5 | C10 | H10 | 172.8° | 179.6° |
| C10 | C5 | C6 | C7 | 3.9° | 0.3° |
| C10 | C5 | C6 | H6 | 176.1° | 179.8° |
| C5 | C10 | C9 | N8 | 7.0° | 0.6° |
| C5 | C10 | C9 | H10 | 180.0° | 179.8° |
| C5 | C10 | C9 | C11 | 176.1° | 179.7° |
| C6 | C7 | N8 | C15 | 175.2° | 180.0° |
| C6 | C7 | N8 | C9 | 0.4° | 0.1° |
| C6 | C7 | C15 | N16 | 180.0° | 25.0° |
| C6 | C7 | C15 | C23 | 6.6° | 154.7° |
| H6 | C6 | C7 | N8 | 179.9° | 179.9° |
| H6 | C6 | C7 | C15 | 5.2° | 0.1° |
| C7 | N8 | C9 | C10 | 3.1° | 0.3° |
| C7 | N8 | C9 | C11 | 179.8° | 180.0° |
| N8 | C7 | C15 | N16 | 4.8° | 155.0° |
| N8 | C7 | C15 | C23 | 168.6° | 25.3° |
| C15 | C7 | N8 | C9 | 175.5° | 180.0° |
| C7 | C15 | N16 | C23 | 174.7° | 179.8° |
| C7 | C15 | N16 | N17 | 176.0° | 180.0° |
| C7 | C15 | C23 | C18 | 178.0° | 179.8° |
| C7 | C15 | C23 | C22 | 3.2° | 0.8° |
| N8 | C9 | C10 | C11 | 176.9° | 179.7° |
| N8 | C9 | C10 | H10 | 173.0° | 179.6° |
| N8 | C9 | C11 | F12 | 81.2° | 4.9° |
| N8 | C9 | C11 | F13 | 39.3° | 125.0° |
| N8 | C9 | C11 | F14 | 158.4° | 115.0° |
| C10 | C9 | C11 | F12 | 95.9° | 174.8° |
| C10 | C9 | C11 | F13 | 143.6° | 54.8° |
| C10 | C9 | C11 | F14 | 24.5° | 65.3° |
| C11 | C9 | C10 | H10 | 3.9° | 0.1° |
| C9 | C11 | F12 | F13 | 123.8° | 120.0° |
| C9 | C11 | F12 | F14 | 123.6° | 119.9° |
| C9 | C11 | F13 | F14 | 123.0° | 120.0° |
| F12 | C11 | F13 | F14 | 113.4° | 120.0° |
| C15 | N16 | N17 | C18 | 2.2° | 0.0° |
| C15 | N16 | N17 | HN17 | 177.8° | 180.0° |
| N16 | C15 | C23 | C18 | 4.1° | 0.4° |
| N16 | C15 | C23 | C22 | 177.1° | 179.4° |
| C23 | C15 | N16 | N17 | 1.2° | 0.2° |
| C15 | C23 | C18 | N17 | 5.3° | 0.4° |
| C15 | C23 | C18 | C19 | 178.9° | 179.8° |
| C15 | C23 | C18 | C22 | 179.0° | 179.2° |
| C15 | C23 | C22 | C21 | 177.8° | 179.6° |
| C15 | C23 | C22 | H22 | 2.2° | 0.8° |
| N16 | N17 | C18 | HN17 | 180.0° | 180.0° |
| N16 | N17 | C18 | C19 | 177.1° | 180.0° |
| N16 | N17 | C18 | C23 | 4.8° | 0.3° |
| N17 | C18 | C19 | C23 | 171.5° | 179.7° |
| N17 | C18 | C19 | N20 | 174.8° | 180.0° |
| N17 | C18 | C19 | H19 | 5.3° | 0.0° |
| N17 | C18 | C23 | C22 | 175.6° | 179.6° |
| HN17 | N17 | C18 | C19 | 2.9° | 0.0° |
| HN17 | N17 | C18 | C23 | 175.2° | 179.8° |
| C18 | C19 | N20 | H19 | 180.0° | 179.9° |
| C18 | C19 | N20 | C21 | 5.7° | 0.1° |
| C19 | C18 | C23 | C22 | 2.1° | 0.6° |
| C23 | C18 | C19 | N20 | 3.2° | 0.2° |
| C23 | C18 | C19 | H19 | 176.8° | 179.7° |
| C18 | C23 | C22 | C21 | 3.6° | 0.6° |
| C18 | C23 | C22 | H22 | 176.4° | 179.7° |
| C19 | N20 | C21 | C22 | 7.3° | 0.0° |
| C19 | N20 | C21 | H21 | 172.6° | 180.0° |
| H19 | C19 | N20 | C21 | 174.3° | 180.0° |
| N20 | C21 | C22 | H21 | 180.0° | 179.9° |
| N20 | C21 | C22 | C23 | 6.4° | 0.4° |
| N20 | C21 | C22 | H22 | 173.6° | 180.0° |
| C21 | C22 | C23 | H22 | 180.0° | 179.7° |
| H21 | C21 | C22 | C23 | 173.6° | 179.7° |
| H21 | C21 | C22 | H22 | 6.4° | 0.0° |
