YHN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C10 | doub | 1.35Å | 1.37Å | Aromatic |
| C9 | C8 | sing | 1.41Å | 1.36Å | Aromatic |
| C10 | C11 | sing | 1.41Å | 1.39Å | Aromatic |
| N | C8 | doub | 1.31Å | 1.32Å | Aromatic |
| N | O | sing | 1.21Å | 1.42Å | Aromatic |
| O2 | C12 | doub | 1.22Å | 1.25Å | |
| C8 | C14 | sing | 1.48Å | 1.36Å | Aromatic |
| C11 | C12 | sing | 1.47Å | 1.42Å | |
| C11 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | O1 | sing | 1.35Å | 1.24Å | |
| O | C7 | sing | 1.34Å | 1.35Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.37Å | Aromatic |
| C14 | C7 | doub | 1.40Å | 1.37Å | Aromatic |
| C7 | C6 | sing | 1.47Å | 1.37Å | |
| C6 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.40Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.41Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| O1 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | C8 | 119.2° | 119.8° |
| C9 | C10 | C11 | 121.6° | 121.8° |
| C10 | C9 | H6 | 120.4° | 120.0° |
| C9 | C10 | H7 | 119.2° | 119.1° |
| C9 | C8 | N | 128.2° | 136.3° |
| C9 | C8 | C14 | 121.9° | 118.6° |
| C8 | C9 | H6 | 120.4° | 120.1° |
| C10 | C11 | C12 | 119.8° | 119.4° |
| C10 | C11 | C13 | 116.6° | 121.1° |
| C11 | C10 | H7 | 119.2° | 119.2° |
| C8 | N | O | 106.7° | 112.6° |
| N | C8 | C14 | 109.9° | 105.1° |
| N | O | C7 | 107.4° | 113.6° |
| O2 | C12 | C11 | 121.6° | 120.0° |
| O2 | C12 | O1 | 115.7° | 120.0° |
| C8 | C14 | C13 | 118.2° | 119.4° |
| C8 | C14 | C7 | 108.0° | 103.0° |
| C12 | C11 | C13 | 123.6° | 119.5° |
| C11 | C12 | O1 | 122.7° | 120.0° |
| C11 | C13 | C14 | 122.5° | 119.2° |
| C11 | C13 | H8 | 118.7° | 120.4° |
| C12 | O1 | H13 | 109.5° | 117.0° |
| O | C7 | C14 | 108.0° | 105.7° |
| O | C7 | C6 | 119.2° | 127.1° |
| C13 | C14 | C7 | 133.7° | 137.6° |
| C14 | C13 | H8 | 118.8° | 120.4° |
| C14 | C7 | C6 | 132.8° | 127.1° |
| C7 | C6 | C5 | 117.8° | 120.2° |
| C7 | C6 | C15 | 124.1° | 120.2° |
| C5 | C6 | C15 | 118.0° | 119.7° |
| C6 | C5 | C3 | 121.0° | 119.8° |
| C6 | C5 | H5 | 119.5° | 120.1° |
| C6 | C15 | C1 | 121.2° | 119.9° |
| C6 | C15 | H12 | 119.4° | 120.1° |
| C5 | C3 | C4 | 120.3° | 119.9° |
| C5 | C3 | C2 | 120.0° | 120.2° |
| C3 | C5 | H5 | 119.5° | 120.1° |
| C15 | C1 | C2 | 119.8° | 120.1° |
| C15 | C1 | C | 121.2° | 119.9° |
| C1 | C15 | H12 | 119.4° | 120.1° |
| C4 | C3 | C2 | 119.6° | 119.9° |
| C3 | C4 | H2 | 109.5° | 109.4° |
| C3 | C4 | H3 | 109.5° | 109.5° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| C3 | C2 | C1 | 119.9° | 120.4° |
| C3 | C2 | H1 | 120.0° | 119.8° |
| C2 | C1 | C | 119.0° | 119.9° |
| C1 | C2 | H1 | 120.1° | 119.8° |
| C1 | C | H9 | 109.5° | 109.5° |
| C1 | C | H10 | 109.5° | 109.5° |
| C1 | C | H11 | 109.4° | 109.5° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H2 | C4 | H4 | 109.4° | 109.5° |
| H3 | C4 | H4 | 109.5° | 109.4° |
| H9 | C | H10 | 109.5° | 109.4° |
| H9 | C | H11 | 109.5° | 109.4° |
| H10 | C | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | C8 | H6 | 180.0° | 180.0° |
| C9 | C10 | C11 | H7 | 180.0° | 179.9° |
| C10 | C9 | C8 | N | 179.7° | 179.7° |
| C10 | C9 | C8 | C14 | 0.3° | 0.1° |
| C9 | C10 | C11 | C12 | 180.0° | 180.0° |
| C9 | C10 | C11 | C13 | 0.8° | 0.1° |
| C8 | C9 | C10 | C11 | 0.7° | 0.1° |
| C9 | C8 | N | C14 | 180.0° | 179.7° |
| C9 | C8 | N | O | 179.5° | 179.7° |
| C9 | C8 | C14 | C13 | 0.0° | 0.1° |
| C9 | C8 | C14 | C7 | 179.2° | 180.0° |
| C8 | C9 | C10 | H7 | 179.3° | 180.0° |
| C10 | C11 | C12 | O2 | 3.5° | 180.0° |
| C10 | C11 | C12 | C13 | 179.1° | 179.9° |
| C10 | C11 | C12 | O1 | 179.0° | 0.0° |
| C10 | C11 | C13 | C14 | 0.5° | 0.1° |
| C11 | C10 | C9 | H6 | 179.3° | 179.9° |
| C10 | C11 | C13 | H8 | 179.5° | 180.0° |
| C8 | N | O | C7 | 0.0° | 0.1° |
| N | C8 | C14 | C13 | 180.0° | 179.8° |
| N | C8 | C14 | C7 | 0.8° | 0.2° |
| N | C8 | C9 | H6 | 0.3° | 0.3° |
| O | N | C8 | C14 | 0.5° | 0.1° |
| N | O | C7 | C14 | 0.5° | 0.3° |
| N | O | C7 | C6 | 179.4° | 180.0° |
| O2 | C12 | C11 | O1 | 177.4° | 180.0° |
| O2 | C12 | C11 | C13 | 175.6° | 0.1° |
| O2 | C12 | O1 | H13 | 0.0° | 0.1° |
| C8 | C14 | C13 | C11 | 0.1° | 0.1° |
| C8 | C14 | C7 | O | 0.8° | 0.3° |
| C8 | C14 | C13 | C7 | 179.0° | 179.9° |
| C8 | C14 | C7 | C6 | 179.5° | 180.0° |
| C14 | C8 | C9 | H6 | 179.7° | 179.9° |
| C8 | C14 | C13 | H8 | 179.9° | 180.0° |
| C12 | C11 | C13 | C14 | 179.6° | 180.0° |
| C12 | C11 | C10 | H7 | 0.1° | 0.1° |
| C12 | C11 | C13 | H8 | 0.4° | 0.1° |
| C11 | C12 | O1 | H13 | 177.6° | 180.0° |
| C13 | C11 | C12 | O1 | 1.9° | 179.9° |
| C11 | C13 | C14 | H8 | 180.0° | 179.9° |
| C11 | C13 | C14 | C7 | 178.9° | 180.0° |
| C13 | C11 | C10 | H7 | 179.2° | 180.0° |
| O | C7 | C14 | C13 | 179.9° | 179.8° |
| O | C7 | C14 | C6 | 178.8° | 179.7° |
| O | C7 | C6 | C5 | 32.7° | 134.0° |
| O | C7 | C6 | C15 | 144.7° | 46.0° |
| C13 | C14 | C7 | C6 | 1.4° | 0.1° |
| C14 | C7 | C6 | C5 | 145.9° | 46.4° |
| C14 | C7 | C6 | C15 | 36.6° | 133.6° |
| C7 | C14 | C13 | H8 | 1.1° | 0.1° |
| C7 | C6 | C5 | C15 | 177.6° | 180.0° |
| C7 | C6 | C5 | C3 | 179.4° | 180.0° |
| C7 | C6 | C15 | C1 | 179.0° | 179.7° |
| C7 | C6 | C5 | H5 | 0.6° | 0.1° |
| C7 | C6 | C15 | H12 | 1.0° | 0.0° |
| C6 | C5 | C3 | H5 | 180.0° | 180.0° |
| C5 | C6 | C15 | C1 | 1.5° | 0.3° |
| C6 | C5 | C3 | C4 | 179.8° | 180.0° |
| C6 | C5 | C3 | C2 | 1.5° | 0.0° |
| C5 | C6 | C15 | H12 | 178.5° | 180.0° |
| C15 | C6 | C5 | C3 | 1.8° | 0.0° |
| C6 | C15 | C1 | H12 | 180.0° | 179.7° |
| C6 | C15 | C1 | C2 | 1.0° | 0.6° |
| C6 | C15 | C1 | C | 179.8° | 179.7° |
| C15 | C6 | C5 | H5 | 178.2° | 180.0° |
| C5 | C3 | C4 | C2 | 178.7° | 180.0° |
| C5 | C3 | C2 | C1 | 1.0° | 0.3° |
| C5 | C3 | C2 | H1 | 179.0° | 180.0° |
| C5 | C3 | C4 | H2 | 89.3° | 90.0° |
| C5 | C3 | C4 | H3 | 150.7° | 30.0° |
| C5 | C3 | C4 | H4 | 30.6° | 150.0° |
| C15 | C1 | C2 | C3 | 0.7° | 0.6° |
| C15 | C1 | C2 | C | 179.2° | 179.6° |
| C15 | C1 | C2 | H1 | 179.3° | 179.7° |
| C15 | C1 | C | H9 | 90.4° | 89.7° |
| C15 | C1 | C | H10 | 149.6° | 30.3° |
| C15 | C1 | C | H11 | 29.6° | 150.3° |
| C4 | C3 | C2 | C1 | 179.7° | 179.7° |
| C4 | C3 | C2 | H1 | 0.3° | 0.0° |
| C3 | C4 | H2 | H3 | 120.0° | 120.0° |
| C3 | C4 | H2 | H4 | 120.0° | 120.0° |
| C3 | C4 | H3 | H4 | 120.0° | 120.0° |
| C4 | C3 | C5 | H5 | 0.3° | 0.0° |
| C3 | C2 | C1 | H1 | 180.0° | 179.7° |
| C3 | C2 | C1 | C | 179.9° | 179.7° |
| C2 | C3 | C4 | H2 | 89.4° | 90.1° |
| C2 | C3 | C4 | H3 | 30.6° | 150.0° |
| C2 | C3 | C4 | H4 | 150.7° | 30.0° |
| C2 | C3 | C5 | H5 | 178.4° | 180.0° |
| C2 | C1 | C | H9 | 90.4° | 90.0° |
| C2 | C1 | C | H10 | 29.6° | 150.0° |
| C2 | C1 | C | H11 | 149.6° | 30.0° |
| C2 | C1 | C15 | H12 | 179.0° | 179.7° |
| C | C1 | C2 | H1 | 0.1° | 0.1° |
| C1 | C | H9 | H10 | 120.0° | 120.1° |
| C1 | C | H9 | H11 | 120.0° | 120.0° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| C | C1 | C15 | H12 | 0.2° | 0.1° |
| H2 | C4 | H3 | H4 | 120.0° | 120.0° |
| H6 | C9 | C10 | H7 | 0.7° | 0.0° |
| H9 | C | H10 | H11 | 120.0° | 119.9° |
