YLG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C14 | sing | 1.51Å | 1.39Å | |
| C4 | C3 | sing | 1.53Å | 1.58Å | |
| C14 | C5 | sing | 1.38Å | 1.43Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.37Å | Aromatic |
| C5 | C10 | sing | 1.51Å | 1.47Å | |
| C6 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.42Å | Aromatic |
| C8 | C10 | sing | 1.53Å | 1.56Å | |
| C10 | N2 | sing | 1.47Å | 1.47Å | |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | C3 | sing | 1.47Å | 1.44Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C8 | H83C | sing | 1.09Å | 1.10Å | |
| N2 | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C4 | C3 | 113.6° | 110.0° |
| C4 | C14 | C5 | 125.3° | 121.6° |
| C4 | C14 | C13 | 114.0° | 118.6° |
| C14 | C4 | H41C | 108.4° | 109.4° |
| C14 | C4 | H42C | 108.4° | 109.4° |
| C4 | C3 | N2 | 108.7° | 108.5° |
| C3 | C4 | H41C | 108.4° | 109.4° |
| C3 | C4 | H42C | 108.4° | 109.4° |
| C4 | C3 | H31C | 109.7° | 109.6° |
| C4 | C3 | H32C | 109.7° | 109.7° |
| C5 | C14 | C13 | 120.8° | 119.8° |
| C14 | C5 | C6 | 125.6° | 119.7° |
| C14 | C5 | C10 | 121.8° | 121.8° |
| C14 | C13 | C12 | 113.9° | 120.4° |
| C14 | C13 | H13 | 123.0° | 119.8° |
| C6 | C5 | C10 | 112.6° | 118.5° |
| C5 | C6 | C11 | 113.0° | 120.4° |
| C5 | C6 | H6 | 123.5° | 119.8° |
| C5 | C10 | C8 | 112.0° | 109.3° |
| C5 | C10 | N2 | 109.1° | 110.5° |
| C5 | C10 | H10 | 108.5° | 109.3° |
| C6 | C11 | C12 | 123.4° | 119.8° |
| C11 | C6 | H6 | 123.5° | 119.8° |
| C6 | C11 | H11 | 118.3° | 120.0° |
| C11 | C12 | C13 | 123.4° | 119.8° |
| C12 | C11 | H11 | 118.3° | 120.1° |
| C11 | C12 | H12 | 118.3° | 120.1° |
| C8 | C10 | N2 | 111.3° | 109.3° |
| C8 | C10 | H10 | 107.4° | 109.3° |
| C10 | C8 | H81C | 109.5° | 109.5° |
| C10 | C8 | H82C | 109.4° | 109.5° |
| C10 | C8 | H83C | 109.5° | 109.5° |
| C10 | N2 | C3 | 122.2° | 110.3° |
| N2 | C10 | H10 | 108.5° | 109.1° |
| C10 | N2 | H2 | 106.2° | 111.0° |
| C12 | C13 | H13 | 123.1° | 119.8° |
| C13 | C12 | H12 | 118.3° | 120.1° |
| N2 | C3 | H31C | 109.7° | 109.6° |
| N2 | C3 | H32C | 109.7° | 109.6° |
| C3 | N2 | H2 | 106.2° | 111.0° |
| H41C | C4 | H42C | 109.5° | 109.3° |
| H31C | C3 | H32C | 109.4° | 109.8° |
| H81C | C8 | H82C | 109.5° | 109.4° |
| H81C | C8 | H83C | 109.5° | 109.4° |
| H82C | C8 | H83C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C4 | C3 | H41C | 120.6° | 120.2° |
| C14 | C4 | C3 | H42C | 120.6° | 120.1° |
| C4 | C14 | C5 | C13 | 179.7° | 180.0° |
| C4 | C14 | C5 | C6 | 178.6° | 179.7° |
| C4 | C14 | C5 | C10 | 0.4° | 0.5° |
| C4 | C14 | C13 | C12 | 178.0° | 179.8° |
| C14 | C4 | C3 | N2 | 34.7° | 50.4° |
| C14 | C4 | H41C | H42C | 118.1° | 119.7° |
| C14 | C4 | C3 | H31C | 85.2° | 170.1° |
| C14 | C4 | C3 | H32C | 154.6° | 69.3° |
| C4 | C14 | C13 | H13 | 2.0° | 0.1° |
| C3 | C4 | C14 | C5 | 11.9° | 16.9° |
| C3 | C4 | C14 | C13 | 168.4° | 163.1° |
| C4 | C3 | N2 | C10 | 53.8° | 71.3° |
| C4 | C3 | N2 | H31C | 119.9° | 119.7° |
| C4 | C3 | N2 | H32C | 119.9° | 119.7° |
| C3 | C4 | H41C | H42C | 118.1° | 119.7° |
| C4 | C3 | H31C | H32C | 120.4° | 120.5° |
| C4 | C3 | N2 | H2 | 68.0° | 165.3° |
| C14 | C5 | C6 | C10 | 178.3° | 179.8° |
| C14 | C5 | C6 | C11 | 1.1° | 0.2° |
| C14 | C5 | C10 | C8 | 111.2° | 138.0° |
| C14 | C5 | C10 | N2 | 12.5° | 17.6° |
| C5 | C14 | C13 | C12 | 2.3° | 0.2° |
| C5 | C14 | C4 | H41C | 132.5° | 103.3° |
| C5 | C14 | C4 | H42C | 108.7° | 137.1° |
| C5 | C14 | C13 | H13 | 177.8° | 179.9° |
| C14 | C5 | C6 | H6 | 178.9° | 179.8° |
| C14 | C5 | C10 | H10 | 130.5° | 102.5° |
| C13 | C14 | C5 | C6 | 1.8° | 0.3° |
| C13 | C14 | C5 | C10 | 179.9° | 179.5° |
| C14 | C13 | C12 | C11 | 2.5° | 0.0° |
| C14 | C13 | C12 | H13 | 180.0° | 179.9° |
| C13 | C14 | C4 | H41C | 47.8° | 76.7° |
| C13 | C14 | C4 | H42C | 71.0° | 43.0° |
| C14 | C13 | C12 | H12 | 177.6° | 180.0° |
| C5 | C6 | C11 | H6 | 180.0° | 179.9° |
| C5 | C6 | C11 | C12 | 1.1° | 0.0° |
| C6 | C5 | C10 | C8 | 67.2° | 42.2° |
| C6 | C5 | C10 | N2 | 169.2° | 162.6° |
| C6 | C5 | C10 | H10 | 51.2° | 77.3° |
| C5 | C6 | C11 | H11 | 178.9° | 179.9° |
| C10 | C5 | C6 | C11 | 179.4° | 179.6° |
| C5 | C10 | C8 | N2 | 122.4° | 121.1° |
| C5 | C10 | C8 | H10 | 119.0° | 119.5° |
| C5 | C10 | N2 | H10 | 118.0° | 120.2° |
| C5 | C10 | N2 | C3 | 42.3° | 52.6° |
| C10 | C5 | C6 | H6 | 0.6° | 0.4° |
| C5 | C10 | C8 | H81C | 180.0° | 60.0° |
| C5 | C10 | C8 | H82C | 60.0° | 180.0° |
| C5 | C10 | C8 | H83C | 60.0° | 60.0° |
| C5 | C10 | N2 | H2 | 79.5° | 176.0° |
| C6 | C11 | C12 | H11 | 180.0° | 179.9° |
| C6 | C11 | C12 | C13 | 2.0° | 0.1° |
| C6 | C11 | C12 | H12 | 178.0° | 179.9° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | H13 | 177.6° | 180.0° |
| C12 | C11 | C6 | H6 | 178.8° | 179.9° |
| C8 | C10 | N2 | H10 | 118.0° | 119.5° |
| C8 | C10 | N2 | C3 | 81.8° | 172.9° |
| C10 | C8 | H81C | H82C | 120.0° | 120.0° |
| C10 | C8 | H81C | H83C | 120.0° | 120.0° |
| C10 | C8 | H82C | H83C | 120.0° | 120.1° |
| C8 | C10 | N2 | H2 | 156.5° | 63.7° |
| C10 | N2 | C3 | H2 | 121.8° | 123.4° |
| C10 | N2 | C3 | H31C | 66.1° | 169.0° |
| C10 | N2 | C3 | H32C | 173.7° | 48.4° |
| N2 | C10 | C8 | H81C | 57.6° | 61.0° |
| N2 | C10 | C8 | H82C | 177.6° | 58.9° |
| N2 | C10 | C8 | H83C | 62.4° | 179.0° |
| C13 | C12 | C11 | H11 | 178.0° | 179.9° |
| N2 | C3 | C4 | H41C | 155.4° | 69.8° |
| N2 | C3 | C4 | H42C | 85.9° | 170.5° |
| N2 | C3 | H31C | H32C | 120.4° | 120.5° |
| C3 | N2 | C10 | H10 | 160.3° | 67.6° |
| H41C | C4 | C3 | H31C | 35.5° | 49.9° |
| H41C | C4 | C3 | H32C | 84.7° | 170.5° |
| H42C | C4 | C3 | H31C | 154.2° | 69.8° |
| H42C | C4 | C3 | H32C | 34.0° | 50.8° |
| H31C | C3 | N2 | H2 | 172.1° | 45.6° |
| H32C | C3 | N2 | H2 | 51.9° | 75.0° |
| H13 | C13 | C12 | H12 | 2.4° | 0.1° |
| H6 | C6 | C11 | H11 | 1.2° | 0.0° |
| H10 | C10 | C8 | H81C | 61.0° | 179.6° |
| H10 | C10 | C8 | H82C | 59.0° | 60.5° |
| H10 | C10 | C8 | H83C | 179.0° | 59.6° |
| H10 | C10 | N2 | H2 | 38.5° | 55.8° |
| H11 | C11 | C12 | H12 | 2.0° | 0.2° |
| H81C | C8 | H82C | H83C | 120.0° | 120.0° |
