HH6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | C16 | sing | 1.36Å | 1.36Å | |
| C13 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C14 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | C2 | sing | 1.48Å | 1.49Å | |
| N6 | C2 | doub | 1.31Å | 1.31Å | Aromatic |
| N6 | N7 | sing | 1.40Å | 1.41Å | Aromatic |
| C2 | C1 | sing | 1.47Å | 1.46Å | Aromatic |
| N7 | C3 | sing | 1.37Å | 1.37Å | Aromatic |
| C1 | C4 | doub | 1.40Å | 1.42Å | Aromatic |
| C1 | C3 | sing | 1.41Å | 1.43Å | Aromatic |
| C4 | C9 | sing | 1.36Å | 1.38Å | Aromatic |
| C3 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C8 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | O15 | sing | 1.36Å | 1.35Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| O15 | H9 | sing | 0.97Å | 0.95Å | |
| O17 | H10 | sing | 0.97Å | 0.95Å | |
| N7 | H2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | C16 | C13 | 120.1° | 119.9° |
| O17 | C16 | C14 | 119.8° | 119.9° |
| C16 | O17 | H10 | 109.5° | 113.9° |
| C16 | C13 | C10 | 120.4° | 120.1° |
| C13 | C16 | C14 | 120.1° | 120.1° |
| C16 | C13 | H7 | 119.8° | 120.0° |
| C13 | C10 | C5 | 119.9° | 119.9° |
| C13 | C10 | H5 | 120.0° | 120.1° |
| C10 | C13 | H7 | 119.8° | 119.9° |
| C16 | C14 | C11 | 119.7° | 120.1° |
| C16 | C14 | H8 | 120.2° | 120.0° |
| C10 | C5 | C11 | 119.1° | 119.8° |
| C10 | C5 | C2 | 119.3° | 120.1° |
| C5 | C10 | H5 | 120.1° | 120.0° |
| C14 | C11 | C5 | 120.6° | 119.9° |
| C14 | C11 | H6 | 119.7° | 120.1° |
| C11 | C14 | H8 | 120.1° | 119.9° |
| C11 | C5 | C2 | 121.1° | 120.1° |
| C5 | C11 | H6 | 119.7° | 120.0° |
| C5 | C2 | N6 | 123.8° | 126.2° |
| C5 | C2 | C1 | 129.3° | 126.2° |
| C2 | N6 | N7 | 111.9° | 110.0° |
| N6 | C2 | C1 | 106.6° | 107.6° |
| N6 | N7 | C3 | 107.2° | 109.3° |
| N6 | N7 | H2 | 126.4° | 125.3° |
| C2 | C1 | C4 | 134.3° | 133.8° |
| C2 | C1 | C3 | 106.2° | 106.2° |
| N7 | C3 | C1 | 107.7° | 106.9° |
| N7 | C3 | C8 | 132.5° | 133.6° |
| C3 | N7 | H2 | 126.4° | 125.4° |
| C4 | C1 | C3 | 119.5° | 119.9° |
| C1 | C4 | C9 | 119.8° | 119.9° |
| C1 | C4 | H1 | 120.1° | 120.0° |
| C1 | C3 | C8 | 119.7° | 119.5° |
| C4 | C9 | C12 | 119.8° | 120.6° |
| C9 | C4 | H1 | 120.1° | 120.1° |
| C4 | C9 | H4 | 120.1° | 119.7° |
| C3 | C8 | C12 | 119.4° | 119.7° |
| C3 | C8 | H3 | 120.3° | 120.2° |
| C9 | C12 | C8 | 121.5° | 120.5° |
| C9 | C12 | O15 | 120.7° | 119.8° |
| C12 | C9 | H4 | 120.1° | 119.7° |
| C8 | C12 | O15 | 117.8° | 119.7° |
| C12 | C8 | H3 | 120.3° | 120.2° |
| C12 | O15 | H9 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | C16 | C13 | C14 | 179.8° | 179.7° |
| O17 | C16 | C13 | C10 | 179.7° | 180.0° |
| O17 | C16 | C14 | C11 | 178.7° | 179.8° |
| O17 | C16 | C13 | H7 | 0.3° | 0.2° |
| O17 | C16 | C14 | H8 | 1.3° | 0.3° |
| C16 | C13 | C10 | H7 | 180.0° | 179.8° |
| C16 | C13 | C10 | C5 | 1.0° | 0.0° |
| C13 | C16 | C14 | C11 | 1.1° | 0.5° |
| C16 | C13 | C10 | H5 | 179.0° | 180.0° |
| C13 | C16 | C14 | H8 | 178.9° | 180.0° |
| C13 | C16 | O17 | H10 | 180.0° | 90.0° |
| C10 | C13 | C16 | C14 | 0.4° | 0.3° |
| C13 | C10 | C5 | H5 | 180.0° | 180.0° |
| C13 | C10 | C5 | C11 | 4.0° | 0.0° |
| C13 | C10 | C5 | C2 | 175.9° | 179.8° |
| C16 | C14 | C11 | H8 | 180.0° | 179.5° |
| C16 | C14 | C11 | C5 | 4.2° | 0.5° |
| C16 | C14 | C11 | H6 | 175.9° | 179.5° |
| C14 | C16 | C13 | H7 | 179.6° | 180.0° |
| C14 | C16 | O17 | H10 | 0.2° | 90.3° |
| C10 | C5 | C11 | C14 | 5.6° | 0.2° |
| C10 | C5 | C11 | C2 | 171.8° | 179.8° |
| C10 | C5 | C2 | N6 | 8.8° | 145.3° |
| C10 | C5 | C2 | C1 | 177.5° | 34.8° |
| C10 | C5 | C11 | H6 | 174.4° | 179.8° |
| C5 | C10 | C13 | H7 | 179.0° | 179.8° |
| C14 | C11 | C5 | H6 | 180.0° | 180.0° |
| C14 | C11 | C5 | C2 | 177.4° | 180.0° |
| C11 | C5 | C2 | N6 | 163.0° | 34.9° |
| C11 | C5 | C2 | C1 | 10.7° | 145.0° |
| C11 | C5 | C10 | H5 | 176.0° | 179.9° |
| C5 | C11 | C14 | H8 | 175.9° | 180.0° |
| C5 | C2 | N6 | C1 | 175.0° | 179.9° |
| C5 | C2 | N6 | N7 | 169.5° | 179.8° |
| C5 | C2 | C1 | C4 | 9.3° | 0.1° |
| C5 | C2 | C1 | C3 | 172.5° | 179.8° |
| C2 | C5 | C10 | H5 | 4.1° | 0.3° |
| C2 | C5 | C11 | H6 | 2.6° | 0.0° |
| C2 | N6 | N7 | C3 | 6.9° | 0.1° |
| N6 | C2 | C1 | C4 | 176.1° | 180.0° |
| N6 | C2 | C1 | C3 | 2.1° | 0.3° |
| C2 | N6 | N7 | H2 | 173.1° | 180.0° |
| N7 | N6 | C2 | C1 | 5.5° | 0.2° |
| N6 | N7 | C3 | H2 | 180.0° | 179.9° |
| N6 | N7 | C3 | C1 | 5.2° | 0.1° |
| N6 | N7 | C3 | C8 | 177.6° | 179.9° |
| C2 | C1 | C3 | N7 | 2.1° | 0.2° |
| C2 | C1 | C4 | C3 | 178.0° | 179.7° |
| C2 | C1 | C4 | C9 | 177.6° | 179.7° |
| C2 | C1 | C3 | C8 | 179.7° | 179.8° |
| C2 | C1 | C4 | H1 | 2.4° | 0.4° |
| N7 | C3 | C1 | C4 | 179.4° | 180.0° |
| N7 | C3 | C1 | C8 | 177.6° | 180.0° |
| N7 | C3 | C8 | C12 | 177.5° | 180.0° |
| N7 | C3 | C8 | H3 | 2.5° | 0.1° |
| C1 | C4 | C9 | H1 | 180.0° | 180.0° |
| C4 | C1 | C3 | C8 | 1.8° | 0.0° |
| C1 | C4 | C9 | C12 | 3.8° | 0.0° |
| C1 | C4 | C9 | H4 | 176.2° | 180.0° |
| C3 | C1 | C4 | C9 | 0.4° | 0.0° |
| C1 | C3 | C8 | C12 | 0.6° | 0.0° |
| C3 | C1 | C4 | H1 | 179.6° | 180.0° |
| C1 | C3 | C8 | H3 | 179.4° | 179.9° |
| C1 | C3 | N7 | H2 | 174.8° | 179.8° |
| C4 | C9 | C12 | H4 | 180.0° | 180.0° |
| C4 | C9 | C12 | C8 | 5.1° | 0.0° |
| C4 | C9 | C12 | O15 | 175.9° | 180.0° |
| C3 | C8 | C12 | C9 | 2.8° | 0.0° |
| C3 | C8 | C12 | H3 | 180.0° | 179.9° |
| C3 | C8 | C12 | O15 | 178.2° | 180.0° |
| C8 | C3 | N7 | H2 | 2.4° | 0.2° |
| C9 | C12 | C8 | O15 | 179.0° | 179.9° |
| C12 | C9 | C4 | H1 | 176.2° | 179.9° |
| C9 | C12 | C8 | H3 | 177.2° | 179.9° |
| C9 | C12 | O15 | H9 | 180.0° | 90.1° |
| C8 | C12 | C9 | H4 | 174.9° | 180.0° |
| C8 | C12 | O15 | H9 | 0.9° | 90.0° |
| O15 | C12 | C8 | H3 | 1.8° | 0.0° |
| O15 | C12 | C9 | H4 | 4.1° | 0.0° |
| H1 | C4 | C9 | H4 | 3.8° | 0.0° |
| H5 | C10 | C13 | H7 | 1.0° | 0.3° |
| H6 | C11 | C14 | H8 | 4.1° | 0.1° |
