1EU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| N3 | C2 | sing | 1.47Å | 1.47Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| N3 | C4 | sing | 1.35Å | 1.35Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| N6 | C4 | sing | 1.35Å | 1.37Å | |
| C4 | O5 | doub | 1.22Å | 1.23Å | |
| N6 | C7 | sing | 1.38Å | 1.39Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N8 | C7 | sing | 1.36Å | 1.31Å | Aromatic |
| C7 | N18 | doub | 1.31Å | 1.37Å | Aromatic |
| N8 | C9 | sing | 1.39Å | 1.35Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.42Å | Aromatic |
| C9 | C17 | doub | 1.41Å | 1.43Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | C11 | sing | 1.48Å | 1.50Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.43Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.43Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | C13 | sing | 1.41Å | 1.43Å | Aromatic |
| C13 | C14 | sing | 1.47Å | 1.49Å | |
| C14 | O15 | doub | 1.21Å | 1.22Å | |
| C14 | C16 | sing | 1.51Å | 1.52Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C17 | N18 | sing | 1.35Å | 1.37Å | Aromatic |
| C25 | C20 | doub | 1.39Å | 1.42Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.43Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| N24 | C23 | doub | 1.32Å | 1.35Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| N24 | C25 | sing | 1.32Å | 1.35Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| N8 | HN8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.5° |
| C2 | C1 | H1B | 109.5° | 109.5° |
| C1 | C2 | N3 | 108.9° | 109.5° |
| C1 | C2 | H2 | 109.6° | 109.5° |
| C1 | C2 | H2A | 109.8° | 109.5° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.4° |
| N3 | C2 | H2 | 109.7° | 109.5° |
| N3 | C2 | H2A | 109.8° | 109.5° |
| C2 | N3 | C4 | 122.4° | 120.0° |
| C2 | N3 | HN3 | 118.8° | 119.9° |
| H2 | C2 | H2A | 109.0° | 109.4° |
| C4 | N3 | HN3 | 118.8° | 120.0° |
| N3 | C4 | N6 | 117.9° | 120.0° |
| N3 | C4 | O5 | 120.8° | 120.0° |
| N6 | C4 | O5 | 121.3° | 120.0° |
| C4 | N6 | C7 | 123.7° | 120.0° |
| C4 | N6 | HN6 | 118.2° | 120.1° |
| C7 | N6 | HN6 | 118.2° | 119.9° |
| N6 | C7 | N8 | 124.0° | 125.1° |
| N6 | C7 | N18 | 126.0° | 125.1° |
| N8 | C7 | N18 | 110.0° | 109.9° |
| C7 | N8 | C9 | 109.8° | 107.0° |
| C7 | N8 | HN8 | 125.1° | 126.5° |
| C7 | N18 | C17 | 107.5° | 109.8° |
| N8 | C9 | C10 | 133.2° | 133.8° |
| N8 | C9 | C17 | 106.7° | 106.0° |
| C9 | N8 | HN8 | 125.1° | 126.4° |
| C10 | C9 | C17 | 120.1° | 120.2° |
| C9 | C10 | C11 | 120.2° | 120.2° |
| C9 | C10 | H10 | 119.9° | 119.9° |
| C9 | C17 | C13 | 120.4° | 119.5° |
| C9 | C17 | N18 | 106.0° | 107.3° |
| C11 | C10 | H10 | 119.9° | 119.9° |
| C10 | C11 | C20 | 120.1° | 119.8° |
| C10 | C11 | C12 | 119.8° | 120.4° |
| C20 | C11 | C12 | 120.1° | 119.8° |
| C11 | C20 | C25 | 120.7° | 120.6° |
| C11 | C20 | C21 | 121.4° | 120.5° |
| C11 | C12 | C13 | 120.7° | 120.1° |
| C11 | C12 | H12 | 119.7° | 119.9° |
| C13 | C12 | H12 | 119.7° | 119.9° |
| C12 | C13 | C17 | 118.9° | 119.5° |
| C12 | C13 | C14 | 121.3° | 120.2° |
| C17 | C13 | C14 | 119.9° | 120.3° |
| C13 | C17 | N18 | 133.6° | 133.2° |
| C13 | C14 | O15 | 119.9° | 120.0° |
| C13 | C14 | C16 | 121.2° | 120.0° |
| O15 | C14 | C16 | 118.9° | 120.0° |
| C14 | C16 | H16 | 109.5° | 109.5° |
| C14 | C16 | H16A | 109.4° | 109.4° |
| C14 | C16 | H16B | 109.5° | 109.5° |
| H16 | C16 | H16A | 109.5° | 109.4° |
| H16 | C16 | H16B | 109.5° | 109.5° |
| H16A | C16 | H16B | 109.5° | 109.5° |
| C25 | C20 | C21 | 117.9° | 118.9° |
| C20 | C25 | N24 | 120.3° | 120.6° |
| C20 | C25 | H25 | 119.8° | 119.7° |
| C20 | C21 | C22 | 119.5° | 118.3° |
| C20 | C21 | H21 | 120.3° | 120.8° |
| C22 | C21 | H21 | 120.3° | 120.9° |
| C21 | C22 | C23 | 118.9° | 119.3° |
| C21 | C22 | H22 | 120.5° | 120.4° |
| C23 | C22 | H22 | 120.6° | 120.4° |
| C22 | C23 | N24 | 120.6° | 121.0° |
| C22 | C23 | H23 | 119.7° | 119.5° |
| N24 | C23 | H23 | 119.7° | 119.5° |
| C23 | N24 | C25 | 122.8° | 121.9° |
| N24 | C25 | H25 | 119.9° | 119.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | N3 | H2 | 120.0° | 120.0° |
| C1 | C2 | N3 | H2A | 120.3° | 120.0° |
| C1 | C2 | H2 | H2A | 120.3° | 120.0° |
| C1 | C2 | N3 | C4 | 142.2° | 180.0° |
| C1 | C2 | N3 | HN3 | 37.8° | 0.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | C2 | N3 | 29.2° | 60.0° |
| H1 | C1 | C2 | H2 | 149.2° | 180.0° |
| H1 | C1 | C2 | H2A | 91.0° | 60.1° |
| H1A | C1 | C2 | N3 | 149.2° | 180.0° |
| H1A | C1 | C2 | H2 | 90.8° | 60.0° |
| H1A | C1 | C2 | H2A | 29.0° | 60.0° |
| H1B | C1 | C2 | N3 | 90.8° | 60.0° |
| H1B | C1 | C2 | H2 | 29.2° | 60.0° |
| H1B | C1 | C2 | H2A | 148.9° | 180.0° |
| N3 | C2 | H2 | H2A | 120.2° | 120.0° |
| C2 | N3 | C4 | HN3 | 180.0° | 180.0° |
| C2 | N3 | C4 | N6 | 179.8° | 180.0° |
| C2 | N3 | C4 | O5 | 0.0° | 0.0° |
| H2 | C2 | N3 | C4 | 97.8° | 60.0° |
| H2 | C2 | N3 | HN3 | 82.2° | 120.1° |
| H2A | C2 | N3 | C4 | 22.0° | 59.9° |
| H2A | C2 | N3 | HN3 | 158.0° | 120.0° |
| N3 | C4 | N6 | O5 | 179.8° | 179.9° |
| N3 | C4 | N6 | C7 | 179.4° | 180.0° |
| N3 | C4 | N6 | HN6 | 0.6° | 0.1° |
| HN3 | N3 | C4 | N6 | 0.2° | 0.1° |
| HN3 | N3 | C4 | O5 | 179.9° | 180.0° |
| C4 | N6 | C7 | HN6 | 180.0° | 179.9° |
| C4 | N6 | C7 | N8 | 165.0° | 0.2° |
| C4 | N6 | C7 | N18 | 14.5° | 180.0° |
| O5 | C4 | N6 | C7 | 0.5° | 0.1° |
| O5 | C4 | N6 | HN6 | 179.5° | 180.0° |
| N6 | C7 | N8 | N18 | 179.6° | 179.8° |
| N6 | C7 | N8 | C9 | 179.5° | 180.0° |
| N6 | C7 | N18 | C17 | 179.5° | 179.9° |
| N6 | C7 | N8 | HN8 | 0.5° | 0.0° |
| HN6 | N6 | C7 | N8 | 15.0° | 179.7° |
| HN6 | N6 | C7 | N18 | 165.5° | 0.1° |
| C7 | N8 | C9 | HN8 | 180.0° | 180.0° |
| C7 | N8 | C9 | C10 | 179.8° | 179.9° |
| C7 | N8 | C9 | C17 | 0.1° | 0.0° |
| N8 | C7 | N18 | C17 | 0.1° | 0.3° |
| N18 | C7 | N8 | C9 | 0.1° | 0.2° |
| C7 | N18 | C17 | C9 | 0.0° | 0.3° |
| C7 | N18 | C17 | C13 | 179.9° | 179.9° |
| N18 | C7 | N8 | HN8 | 179.9° | 179.8° |
| N8 | C9 | C10 | C17 | 179.9° | 179.9° |
| N8 | C9 | C10 | C11 | 179.8° | 180.0° |
| N8 | C9 | C10 | H10 | 0.2° | 0.1° |
| N8 | C9 | C17 | C13 | 180.0° | 180.0° |
| N8 | C9 | C17 | N18 | 0.1° | 0.2° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C20 | 179.5° | 180.0° |
| C9 | C10 | C11 | C12 | 0.2° | 0.1° |
| C10 | C9 | C17 | C13 | 0.0° | 0.0° |
| C10 | C9 | C17 | N18 | 179.9° | 179.7° |
| C10 | C9 | N8 | HN8 | 0.1° | 0.1° |
| C17 | C9 | C10 | C11 | 0.1° | 0.1° |
| C17 | C9 | C10 | H10 | 179.9° | 180.0° |
| C9 | C17 | C13 | C12 | 0.1° | 0.0° |
| C9 | C17 | C13 | N18 | 179.9° | 179.7° |
| C9 | C17 | C13 | C14 | 180.0° | 180.0° |
| C17 | C9 | N8 | HN8 | 179.9° | 180.0° |
| C10 | C11 | C20 | C12 | 179.7° | 180.0° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C10 | C11 | C12 | H12 | 179.9° | 180.0° |
| C10 | C11 | C20 | C25 | 46.7° | 179.7° |
| C10 | C11 | C20 | C21 | 133.4° | 0.1° |
| H10 | C10 | C11 | C20 | 0.5° | 0.0° |
| H10 | C10 | C11 | C12 | 179.8° | 180.0° |
| C20 | C11 | C12 | C13 | 179.6° | 180.0° |
| C20 | C11 | C12 | H12 | 0.4° | 0.1° |
| C11 | C20 | C25 | C21 | 179.8° | 179.8° |
| C11 | C20 | C21 | C22 | 179.9° | 180.0° |
| C11 | C20 | C21 | H21 | 0.1° | 0.1° |
| C11 | C20 | C25 | N24 | 179.9° | 179.7° |
| C11 | C20 | C25 | H25 | 0.1° | 0.2° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C17 | 0.0° | 0.0° |
| C11 | C12 | C13 | C14 | 179.9° | 180.0° |
| C12 | C11 | C20 | C25 | 133.0° | 0.2° |
| C12 | C11 | C20 | C21 | 46.9° | 180.0° |
| C12 | C13 | C17 | C14 | 179.9° | 180.0° |
| C12 | C13 | C14 | O15 | 176.3° | 180.0° |
| C12 | C13 | C14 | C16 | 3.6° | 0.0° |
| C12 | C13 | C17 | N18 | 179.8° | 179.7° |
| H12 | C12 | C13 | C17 | 180.0° | 179.9° |
| H12 | C12 | C13 | C14 | 0.1° | 0.1° |
| C17 | C13 | C14 | O15 | 3.6° | 0.0° |
| C17 | C13 | C14 | C16 | 176.5° | 180.0° |
| C13 | C14 | O15 | C16 | 179.9° | 180.0° |
| C13 | C14 | C16 | H16 | 151.9° | 90.0° |
| C13 | C14 | C16 | H16A | 88.1° | 150.0° |
| C13 | C14 | C16 | H16B | 31.9° | 30.0° |
| C14 | C13 | C17 | N18 | 0.1° | 0.3° |
| O15 | C14 | C16 | H16 | 28.2° | 90.0° |
| O15 | C14 | C16 | H16A | 91.8° | 30.0° |
| O15 | C14 | C16 | H16B | 148.2° | 150.0° |
| C14 | C16 | H16 | H16A | 120.0° | 119.9° |
| C14 | C16 | H16 | H16B | 120.0° | 120.0° |
| C14 | C16 | H16A | H16B | 120.0° | 120.0° |
| H16 | C16 | H16A | H16B | 120.0° | 120.0° |
| C25 | C20 | C21 | C22 | 0.0° | 0.2° |
| C25 | C20 | C21 | H21 | 179.9° | 179.8° |
| C20 | C25 | N24 | C23 | 0.0° | 0.5° |
| C20 | C25 | N24 | H25 | 180.0° | 179.6° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C20 | C21 | C22 | H22 | 179.9° | 179.9° |
| C21 | C20 | C25 | N24 | 0.0° | 0.4° |
| C21 | C20 | C25 | H25 | 180.0° | 180.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | N24 | 0.1° | 0.0° |
| C21 | C22 | C23 | H23 | 179.9° | 180.0° |
| H21 | C21 | C22 | C23 | 179.9° | 180.0° |
| H21 | C21 | C22 | H22 | 0.1° | 0.0° |
| C22 | C23 | N24 | H23 | 180.0° | 180.0° |
| C22 | C23 | N24 | C25 | 0.1° | 0.2° |
| H22 | C22 | C23 | N24 | 179.9° | 179.9° |
| H22 | C22 | C23 | H23 | 0.1° | 0.0° |
| C23 | N24 | C25 | H25 | 179.9° | 180.0° |
| H23 | C23 | N24 | C25 | 180.0° | 179.7° |
