L0D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.35Å | 1.34Å | Aromatic |
| C1 | N5 | sing | 1.35Å | 1.34Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | sing | 1.41Å | 1.36Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| C3 | C7 | sing | 1.48Å | 1.45Å | Aromatic |
| N4 | N5 | sing | 1.40Å | 1.35Å | Aromatic |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C7 | N8 | doub | 1.31Å | 1.32Å | Aromatic |
| C7 | N15 | sing | 1.37Å | 1.35Å | Aromatic |
| N8 | C9 | sing | 1.35Å | 1.36Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C14 | sing | 1.41Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | N15 | sing | 1.38Å | 1.36Å | Aromatic |
| N15 | HN15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N5 | 106.8° | 108.0° |
| C2 | C1 | H1 | 126.6° | 126.0° |
| C1 | C2 | C3 | 107.0° | 107.9° |
| C1 | C2 | H2 | 126.5° | 126.1° |
| N5 | C1 | H1 | 126.6° | 126.0° |
| C1 | N5 | N4 | 111.3° | 108.1° |
| C1 | N5 | HN5 | 124.4° | 125.9° |
| C3 | C2 | H2 | 126.5° | 126.1° |
| C2 | C3 | N4 | 110.4° | 107.9° |
| C2 | C3 | C7 | 128.8° | 126.1° |
| N4 | C3 | C7 | 120.8° | 126.0° |
| C3 | N4 | N5 | 104.6° | 108.1° |
| C3 | C7 | N8 | 126.0° | 125.1° |
| C3 | C7 | N15 | 124.9° | 125.1° |
| N4 | N5 | HN5 | 124.4° | 125.9° |
| N8 | C7 | N15 | 109.1° | 109.8° |
| C7 | N8 | C9 | 107.9° | 109.7° |
| C7 | N15 | C14 | 109.5° | 107.2° |
| C7 | N15 | HN15 | 125.3° | 126.4° |
| N8 | C9 | C10 | 131.8° | 133.4° |
| N8 | C9 | C14 | 108.7° | 107.2° |
| C10 | C9 | C14 | 119.5° | 119.4° |
| C9 | C10 | C11 | 120.1° | 119.8° |
| C9 | C10 | H10 | 119.9° | 120.2° |
| C9 | C14 | C13 | 119.9° | 120.0° |
| C9 | C14 | N15 | 104.9° | 106.2° |
| C11 | C10 | H10 | 119.9° | 120.1° |
| C10 | C11 | C12 | 120.3° | 120.5° |
| C10 | C11 | H11 | 119.9° | 119.7° |
| C12 | C11 | H11 | 119.9° | 119.7° |
| C11 | C12 | C13 | 120.2° | 120.5° |
| C11 | C12 | H12 | 119.9° | 119.7° |
| C13 | C12 | H12 | 119.9° | 119.8° |
| C12 | C13 | C14 | 120.0° | 119.8° |
| C12 | C13 | H13 | 120.0° | 120.1° |
| C14 | C13 | H13 | 120.0° | 120.1° |
| C13 | C14 | N15 | 135.2° | 133.9° |
| C14 | N15 | HN15 | 125.3° | 126.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N5 | H1 | 180.0° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | N4 | 0.3° | 0.0° |
| C1 | C2 | C3 | C7 | 179.4° | 180.0° |
| C2 | C1 | N5 | N4 | 0.0° | 0.0° |
| C2 | C1 | N5 | HN5 | 180.0° | 180.0° |
| N5 | C1 | C2 | C3 | 0.2° | 0.0° |
| N5 | C1 | C2 | H2 | 179.8° | 180.0° |
| C1 | N5 | N4 | C3 | 0.2° | 0.0° |
| C1 | N5 | N4 | HN5 | 180.0° | 180.0° |
| H1 | C1 | C2 | C3 | 179.9° | 179.7° |
| H1 | C1 | C2 | H2 | 0.1° | 0.2° |
| H1 | C1 | N5 | N4 | 180.0° | 179.8° |
| H1 | C1 | N5 | HN5 | 0.0° | 0.2° |
| C2 | C3 | N4 | C7 | 179.3° | 179.9° |
| C2 | C3 | N4 | N5 | 0.3° | 0.0° |
| C2 | C3 | C7 | N8 | 2.7° | 0.1° |
| C2 | C3 | C7 | N15 | 176.5° | 179.7° |
| H2 | C2 | C3 | N4 | 179.7° | 180.0° |
| H2 | C2 | C3 | C7 | 0.5° | 0.1° |
| C3 | N4 | N5 | HN5 | 179.9° | 180.0° |
| N4 | C3 | C7 | N8 | 178.2° | 180.0° |
| N4 | C3 | C7 | N15 | 2.6° | 0.4° |
| C7 | C3 | N4 | N5 | 179.5° | 179.9° |
| C3 | C7 | N8 | N15 | 179.3° | 179.7° |
| C3 | C7 | N8 | C9 | 179.5° | 179.9° |
| C3 | C7 | N15 | C14 | 179.4° | 179.9° |
| C3 | C7 | N15 | HN15 | 0.5° | 0.0° |
| C7 | N8 | C9 | C10 | 179.8° | 180.0° |
| C7 | N8 | C9 | C14 | 0.2° | 0.0° |
| N8 | C7 | N15 | C14 | 0.2° | 0.4° |
| N8 | C7 | N15 | HN15 | 179.8° | 179.7° |
| N15 | C7 | N8 | C9 | 0.2° | 0.3° |
| C7 | N15 | C14 | C9 | 0.0° | 0.4° |
| C7 | N15 | C14 | C13 | 179.8° | 179.9° |
| C7 | N15 | C14 | HN15 | 180.0° | 179.9° |
| N8 | C9 | C10 | C14 | 180.0° | 180.0° |
| N8 | C9 | C10 | C11 | 179.9° | 180.0° |
| N8 | C9 | C10 | H10 | 0.1° | 0.1° |
| N8 | C9 | C14 | C13 | 180.0° | 180.0° |
| N8 | C9 | C14 | N15 | 0.1° | 0.2° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.1° | 0.0° |
| C9 | C10 | C11 | H11 | 179.9° | 179.9° |
| C10 | C9 | C14 | C13 | 0.0° | 0.0° |
| C10 | C9 | C14 | N15 | 179.9° | 179.8° |
| C14 | C9 | C10 | C11 | 0.1° | 0.0° |
| C14 | C9 | C10 | H10 | 179.9° | 180.0° |
| C9 | C14 | C13 | C12 | 0.0° | 0.0° |
| C9 | C14 | C13 | N15 | 179.8° | 179.7° |
| C9 | C14 | C13 | H13 | 180.0° | 179.9° |
| C9 | C14 | N15 | HN15 | 180.0° | 179.7° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C10 | C11 | C12 | H12 | 179.9° | 180.0° |
| H10 | C10 | C11 | C12 | 179.9° | 180.0° |
| H10 | C10 | C11 | H11 | 0.1° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.0° |
| C11 | C12 | C13 | H13 | 180.0° | 179.9° |
| H11 | C11 | C12 | C13 | 179.9° | 179.9° |
| H11 | C11 | C12 | H12 | 0.1° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | N15 | 179.8° | 179.7° |
| H12 | C12 | C13 | C14 | 180.0° | 180.0° |
| H12 | C12 | C13 | H13 | 0.0° | 0.1° |
| C13 | C14 | N15 | HN15 | 0.2° | 0.0° |
| H13 | C13 | C14 | N15 | 0.2° | 0.4° |
