H06
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C7 | doub | 1.22Å | 1.23Å | |
| C1 | N1 | doub | 1.30Å | 1.27Å | |
| C1 | C2 | sing | 1.48Å | 1.50Å | |
| C1 | N2 | sing | 1.38Å | 1.34Å | |
| C2 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | N4 | sing | 1.40Å | 1.34Å | |
| N3 | C6 | doub | 1.30Å | 1.29Å | |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| N4 | C7 | sing | 1.35Å | 1.35Å | |
| C5 | C6 | sing | 1.47Å | 1.49Å | |
| C5 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| N5 | C9 | doub | 1.32Å | 1.35Å | Aromatic |
| N5 | C10 | sing | 1.32Å | 1.34Å | Aromatic |
| C7 | C8 | sing | 1.48Å | 1.51Å | |
| C8 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N2 | HN2A | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C7 | N4 | 122.5° | 120.0° |
| O | C7 | C8 | 118.8° | 120.0° |
| N1 | C1 | C2 | 121.0° | 120.0° |
| N1 | C1 | N2 | 120.3° | 120.0° |
| C1 | N1 | HN1 | 112.0° | 120.0° |
| C2 | C1 | N2 | 118.7° | 120.0° |
| C1 | C2 | C3 | 119.0° | 120.0° |
| C1 | C2 | C14 | 121.4° | 120.0° |
| C1 | N2 | HN2 | 120.0° | 120.0° |
| C1 | N2 | HN2A | 120.0° | 119.9° |
| C3 | C2 | C14 | 119.6° | 120.1° |
| C2 | C3 | C4 | 120.1° | 120.0° |
| C2 | C3 | H3 | 119.9° | 120.0° |
| C2 | C14 | C13 | 120.1° | 120.0° |
| C2 | C14 | H14 | 120.0° | 120.0° |
| C3 | C4 | C5 | 120.8° | 120.0° |
| C4 | C3 | H3 | 120.0° | 120.0° |
| C3 | C4 | H4 | 119.6° | 120.0° |
| N4 | N3 | C6 | 122.4° | 120.0° |
| N3 | N4 | C7 | 122.3° | 120.0° |
| N3 | N4 | HN4 | 118.8° | 120.0° |
| N3 | C6 | C5 | 118.8° | 120.0° |
| N3 | C6 | H6 | 120.6° | 120.0° |
| C4 | C5 | C6 | 119.0° | 120.0° |
| C4 | C5 | C13 | 119.2° | 120.0° |
| C5 | C4 | H4 | 119.6° | 120.0° |
| N4 | C7 | C8 | 118.7° | 120.0° |
| C7 | N4 | HN4 | 118.9° | 120.0° |
| C6 | C5 | C13 | 121.7° | 120.1° |
| C5 | C6 | H6 | 120.6° | 120.0° |
| C5 | C13 | C14 | 120.2° | 120.0° |
| C5 | C13 | H13 | 119.9° | 120.0° |
| C9 | N5 | C10 | 122.4° | 121.9° |
| N5 | C9 | C8 | 120.1° | 120.6° |
| N5 | C9 | H9 | 119.9° | 119.7° |
| N5 | C10 | C11 | 120.1° | 121.1° |
| N5 | C10 | H10 | 120.0° | 119.5° |
| C7 | C8 | C9 | 121.0° | 120.6° |
| C7 | C8 | C12 | 120.3° | 120.5° |
| C9 | C8 | C12 | 118.7° | 118.9° |
| C8 | C9 | H9 | 120.0° | 119.7° |
| C8 | C12 | C11 | 119.8° | 118.3° |
| C8 | C12 | H12 | 120.1° | 120.9° |
| C10 | C11 | C12 | 119.0° | 119.3° |
| C11 | C10 | H10 | 119.9° | 119.5° |
| C10 | C11 | H11 | 120.5° | 120.3° |
| C12 | C11 | H11 | 120.5° | 120.4° |
| C11 | C12 | H12 | 120.1° | 120.8° |
| C14 | C13 | H13 | 119.9° | 120.0° |
| C13 | C14 | H14 | 119.9° | 120.0° |
| HN2 | N2 | HN2A | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C7 | N4 | N3 | 0.3° | 0.0° |
| O | C7 | N4 | C8 | 179.8° | 180.0° |
| O | C7 | C8 | C9 | 25.9° | 180.0° |
| O | C7 | C8 | C12 | 154.0° | 0.0° |
| O | C7 | N4 | HN4 | 179.7° | 180.0° |
| N1 | C1 | C2 | N2 | 178.8° | 179.7° |
| N1 | C1 | C2 | C3 | 168.0° | 0.0° |
| N1 | C1 | C2 | C14 | 12.4° | 179.7° |
| N1 | C1 | N2 | HN2 | 178.7° | 0.0° |
| N1 | C1 | N2 | HN2A | 1.2° | 179.9° |
| C1 | C2 | C3 | C14 | 179.6° | 179.8° |
| C1 | C2 | C3 | C4 | 179.4° | 180.0° |
| C1 | C2 | C14 | C13 | 179.3° | 179.7° |
| C2 | C1 | N1 | HN1 | 178.7° | 180.0° |
| C2 | C1 | N2 | HN2 | 0.0° | 179.7° |
| C2 | C1 | N2 | HN2A | 180.0° | 0.2° |
| C1 | C2 | C3 | H3 | 0.6° | 0.0° |
| C1 | C2 | C14 | H14 | 0.7° | 0.0° |
| N2 | C1 | C2 | C3 | 13.2° | 179.8° |
| N2 | C1 | C2 | C14 | 166.3° | 0.0° |
| N2 | C1 | N1 | HN1 | 0.0° | 0.3° |
| C1 | N2 | HN2 | HN2A | 180.0° | 179.9° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C3 | C2 | C14 | C13 | 0.2° | 0.5° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| C3 | C2 | C14 | H14 | 179.8° | 179.8° |
| C14 | C2 | C3 | C4 | 0.2° | 0.3° |
| C2 | C14 | C13 | C5 | 0.1° | 0.5° |
| C2 | C14 | C13 | H14 | 180.0° | 179.7° |
| C14 | C2 | C3 | H3 | 179.8° | 179.8° |
| C2 | C14 | C13 | H13 | 179.9° | 179.7° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 179.7° | 180.0° |
| C3 | C4 | C5 | C13 | 0.3° | 0.0° |
| N3 | N4 | C7 | HN4 | 180.0° | 180.0° |
| N4 | N3 | C6 | C5 | 179.6° | 180.0° |
| N3 | N4 | C7 | C8 | 179.5° | 180.0° |
| N4 | N3 | C6 | H6 | 0.4° | 0.0° |
| N3 | C6 | C5 | C4 | 39.8° | 180.0° |
| C6 | N3 | N4 | C7 | 166.1° | 180.0° |
| N3 | C6 | C5 | H6 | 180.0° | 180.0° |
| N3 | C6 | C5 | C13 | 140.1° | 0.1° |
| C6 | N3 | N4 | HN4 | 13.9° | 0.0° |
| C4 | C5 | C6 | C13 | 180.0° | 179.9° |
| C4 | C5 | C13 | C14 | 0.2° | 0.2° |
| C5 | C4 | C3 | H3 | 179.9° | 180.0° |
| C4 | C5 | C6 | H6 | 140.2° | 0.0° |
| C4 | C5 | C13 | H13 | 179.8° | 180.0° |
| N4 | C7 | C8 | C9 | 154.3° | 0.0° |
| N4 | C7 | C8 | C12 | 25.8° | 180.0° |
| C6 | C5 | C13 | C14 | 179.8° | 179.7° |
| C6 | C5 | C4 | H4 | 0.3° | 0.1° |
| C6 | C5 | C13 | H13 | 0.2° | 0.1° |
| C5 | C13 | C14 | H13 | 180.0° | 179.8° |
| C13 | C5 | C4 | H4 | 179.7° | 180.0° |
| C13 | C5 | C6 | H6 | 39.9° | 179.9° |
| C5 | C13 | C14 | H14 | 179.9° | 179.8° |
| N5 | C9 | C8 | C7 | 180.0° | 180.0° |
| N5 | C9 | C8 | H9 | 180.0° | 179.9° |
| N5 | C9 | C8 | C12 | 0.1° | 0.1° |
| C9 | N5 | C10 | C11 | 0.5° | 0.0° |
| C9 | N5 | C10 | H10 | 179.5° | 179.9° |
| C10 | N5 | C9 | C8 | 0.2° | 0.1° |
| N5 | C10 | C11 | H10 | 180.0° | 179.9° |
| N5 | C10 | C11 | C12 | 0.4° | 0.0° |
| C10 | N5 | C9 | H9 | 179.7° | 179.9° |
| N5 | C10 | C11 | H11 | 179.6° | 180.0° |
| C7 | C8 | C9 | C12 | 179.9° | 180.0° |
| C7 | C8 | C12 | C11 | 179.9° | 180.0° |
| C8 | C7 | N4 | HN4 | 0.5° | 0.0° |
| C7 | C8 | C9 | H9 | 0.0° | 0.1° |
| C7 | C8 | C12 | H12 | 0.1° | 0.0° |
| C9 | C8 | C12 | C11 | 0.2° | 0.0° |
| C9 | C8 | C12 | H12 | 179.8° | 180.0° |
| C8 | C12 | C11 | C10 | 0.0° | 0.0° |
| C8 | C12 | C11 | H12 | 180.0° | 180.0° |
| C12 | C8 | C9 | H9 | 179.9° | 179.9° |
| C8 | C12 | C11 | H11 | 179.9° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | H12 | 180.0° | 180.0° |
| C12 | C11 | C10 | H10 | 179.6° | 179.9° |
| H3 | C3 | C4 | H4 | 0.1° | 0.0° |
| H10 | C10 | C11 | H11 | 0.4° | 0.1° |
| H11 | C11 | C12 | H12 | 0.0° | 0.0° |
| H13 | C13 | C14 | H14 | 0.1° | 0.0° |
