YGH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | O7 | sing | 1.43Å | 1.42Å | |
| O7 | C4 | sing | 1.36Å | 1.40Å | |
| F1 | C3 | sing | 1.35Å | 1.36Å | |
| C18 | C16 | sing | 1.55Å | 1.51Å | |
| C18 | C15 | sing | 1.55Å | 1.52Å | |
| C16 | N13 | sing | 1.49Å | 1.48Å | |
| C4 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.43Å | Aromatic |
| C15 | C14 | sing | 1.54Å | 1.52Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| N13 | C14 | sing | 1.48Å | 1.48Å | |
| N13 | C12 | sing | 1.47Å | 1.50Å | |
| C2 | C10 | sing | 1.47Å | 1.45Å | Aromatic |
| C2 | C1 | doub | 1.41Å | 1.43Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.48Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | doub | 1.34Å | 1.38Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.42Å | Aromatic |
| C1 | N1 | sing | 1.38Å | 1.42Å | Aromatic |
| C9 | N1 | sing | 1.37Å | 1.40Å | Aromatic |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.08Å | 1.08Å | |
| C6 | H14 | sing | 1.08Å | 1.08Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.08Å | 1.08Å | |
| N1 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | O7 | C4 | 118.3° | 117.1° |
| O7 | C8 | H15 | 109.5° | 109.5° |
| O7 | C8 | H16 | 109.4° | 109.5° |
| O7 | C8 | H17 | 109.4° | 109.5° |
| O7 | C4 | C3 | 121.8° | 119.9° |
| O7 | C4 | C5 | 122.1° | 119.9° |
| F1 | C3 | C4 | 119.3° | 120.2° |
| F1 | C3 | C2 | 116.7° | 120.2° |
| C16 | C18 | C15 | 105.1° | 102.9° |
| C18 | C16 | N13 | 103.9° | 103.3° |
| C18 | C16 | H9 | 110.8° | 110.4° |
| C18 | C16 | H10 | 110.8° | 110.9° |
| C16 | C18 | H11 | 110.6° | 110.7° |
| C16 | C18 | H12 | 110.6° | 110.7° |
| C18 | C15 | C14 | 107.0° | 105.1° |
| C18 | C15 | H7 | 110.1° | 110.3° |
| C18 | C15 | H8 | 110.1° | 110.3° |
| C15 | C18 | H11 | 110.5° | 110.8° |
| C15 | C18 | H12 | 110.6° | 110.7° |
| C16 | N13 | C14 | 107.4° | 105.7° |
| C16 | N13 | C12 | 106.4° | 111.0° |
| N13 | C16 | H9 | 110.8° | 110.7° |
| N13 | C16 | H10 | 110.8° | 110.7° |
| C3 | C4 | C5 | 116.2° | 120.2° |
| C4 | C3 | C2 | 124.0° | 119.6° |
| C4 | C5 | C6 | 122.8° | 120.7° |
| C4 | C5 | H13 | 118.6° | 119.7° |
| C3 | C2 | C10 | 136.7° | 133.9° |
| C3 | C2 | C1 | 117.0° | 120.0° |
| C15 | C14 | N13 | 105.4° | 107.2° |
| C15 | C14 | H5 | 110.5° | 109.9° |
| C15 | C14 | H6 | 110.5° | 109.9° |
| C14 | C15 | H7 | 110.1° | 110.3° |
| C14 | C15 | H8 | 110.1° | 110.4° |
| C5 | C6 | C1 | 119.7° | 120.0° |
| C6 | C5 | H13 | 118.6° | 119.6° |
| C5 | C6 | H14 | 120.1° | 120.0° |
| C14 | N13 | C12 | 106.0° | 111.2° |
| N13 | C14 | H5 | 110.5° | 109.9° |
| N13 | C14 | H6 | 110.5° | 109.9° |
| N13 | C12 | C11 | 106.4° | 109.5° |
| N13 | C12 | H3 | 110.2° | 109.5° |
| N13 | C12 | H4 | 110.2° | 109.4° |
| C10 | C2 | C1 | 106.4° | 106.1° |
| C2 | C10 | C11 | 130.7° | 126.5° |
| C2 | C10 | C9 | 108.3° | 107.0° |
| C2 | C1 | C6 | 120.3° | 119.5° |
| C2 | C1 | N1 | 107.8° | 107.2° |
| C10 | C11 | C12 | 113.7° | 109.5° |
| C11 | C10 | C9 | 121.0° | 126.5° |
| C10 | C11 | H1 | 108.4° | 109.4° |
| C10 | C11 | H2 | 108.4° | 109.5° |
| C12 | C11 | H1 | 108.4° | 109.5° |
| C12 | C11 | H2 | 108.4° | 109.5° |
| C11 | C12 | H3 | 110.2° | 109.5° |
| C11 | C12 | H4 | 110.2° | 109.5° |
| C10 | C9 | N1 | 109.3° | 109.9° |
| C10 | C9 | H18 | 125.4° | 125.0° |
| C6 | C1 | N1 | 131.9° | 133.4° |
| C1 | C6 | H14 | 120.2° | 120.0° |
| C1 | N1 | C9 | 108.2° | 109.8° |
| C1 | N1 | H19 | 125.9° | 125.1° |
| N1 | C9 | H18 | 125.3° | 125.0° |
| C9 | N1 | H19 | 125.9° | 125.1° |
| H1 | C11 | H2 | 109.5° | 109.5° |
| H3 | C12 | H4 | 109.5° | 109.5° |
| H5 | C14 | H6 | 109.5° | 110.0° |
| H7 | C15 | H8 | 109.5° | 110.3° |
| H9 | C16 | H10 | 109.5° | 110.6° |
| H11 | C18 | H12 | 109.5° | 110.8° |
| H15 | C8 | H16 | 109.5° | 109.4° |
| H15 | C8 | H17 | 109.5° | 109.5° |
| H16 | C8 | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | O7 | C4 | C3 | 145.3° | 180.0° |
| C8 | O7 | C4 | C5 | 34.7° | 0.1° |
| O7 | C8 | H15 | H16 | 120.0° | 120.0° |
| O7 | C8 | H15 | H17 | 120.0° | 120.0° |
| O7 | C8 | H16 | H17 | 120.0° | 120.0° |
| O7 | C4 | C3 | F1 | 0.1° | 0.0° |
| O7 | C4 | C3 | C5 | 180.0° | 179.9° |
| O7 | C4 | C3 | C2 | 180.0° | 179.9° |
| O7 | C4 | C5 | C6 | 179.8° | 179.8° |
| O7 | C4 | C5 | H13 | 0.3° | 0.1° |
| C4 | O7 | C8 | H15 | 180.0° | 180.0° |
| C4 | O7 | C8 | H16 | 60.0° | 60.0° |
| C4 | O7 | C8 | H17 | 60.0° | 60.0° |
| F1 | C3 | C4 | C2 | 179.9° | 179.9° |
| F1 | C3 | C4 | C5 | 179.9° | 179.9° |
| F1 | C3 | C2 | C10 | 0.2° | 0.1° |
| F1 | C3 | C2 | C1 | 179.9° | 180.0° |
| C16 | C18 | C15 | H11 | 119.3° | 118.3° |
| C16 | C18 | C15 | H12 | 119.3° | 118.3° |
| C18 | C16 | N13 | H9 | 119.1° | 118.2° |
| C18 | C16 | N13 | H10 | 119.1° | 118.8° |
| C16 | C18 | C15 | C14 | 15.5° | 22.0° |
| C18 | C16 | N13 | C14 | 34.3° | 39.0° |
| C18 | C16 | N13 | C12 | 147.5° | 159.8° |
| C16 | C18 | C15 | H7 | 135.1° | 96.9° |
| C16 | C18 | C15 | H8 | 104.1° | 140.9° |
| C18 | C16 | H9 | H10 | 122.6° | 123.2° |
| C16 | C18 | H11 | H12 | 122.1° | 123.3° |
| C15 | C18 | C16 | N13 | 30.1° | 37.3° |
| C18 | C15 | C14 | H7 | 119.6° | 118.9° |
| C18 | C15 | C14 | H8 | 119.6° | 119.0° |
| C18 | C15 | C14 | N13 | 5.1° | 1.1° |
| C18 | C15 | C14 | H5 | 124.4° | 120.5° |
| C18 | C15 | C14 | H6 | 114.3° | 118.3° |
| C18 | C15 | H7 | H8 | 121.1° | 122.2° |
| C15 | C18 | C16 | H9 | 89.0° | 81.0° |
| C15 | C18 | C16 | H10 | 149.2° | 155.9° |
| C15 | C18 | H11 | H12 | 122.0° | 123.2° |
| C16 | N13 | C14 | C15 | 24.5° | 25.1° |
| C16 | N13 | C14 | C12 | 113.5° | 120.5° |
| C16 | N13 | C12 | C11 | 60.5° | 170.0° |
| C16 | N13 | C12 | H3 | 180.0° | 50.0° |
| C16 | N13 | C12 | H4 | 59.0° | 70.0° |
| C16 | N13 | C14 | H5 | 143.8° | 144.5° |
| C16 | N13 | C14 | H6 | 94.9° | 94.3° |
| N13 | C16 | H9 | H10 | 122.6° | 123.0° |
| N13 | C16 | C18 | H11 | 89.2° | 155.8° |
| N13 | C16 | C18 | H12 | 149.4° | 80.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.1° |
| C4 | C3 | C2 | C10 | 179.9° | 180.0° |
| C4 | C3 | C2 | C1 | 0.2° | 0.1° |
| C3 | C4 | C5 | H13 | 179.7° | 180.0° |
| C5 | C4 | C3 | C2 | 0.0° | 0.0° |
| C4 | C5 | C6 | H13 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 0.3° | 0.3° |
| C4 | C5 | C6 | H14 | 179.7° | 180.0° |
| C3 | C2 | C10 | C1 | 179.8° | 179.9° |
| C3 | C2 | C10 | C11 | 0.2° | 0.1° |
| C3 | C2 | C10 | C9 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.1° | 0.3° |
| C3 | C2 | C1 | N1 | 180.0° | 180.0° |
| C15 | C14 | N13 | H5 | 119.3° | 119.4° |
| C15 | C14 | N13 | H6 | 119.3° | 119.5° |
| C15 | C14 | N13 | C12 | 138.0° | 145.7° |
| C15 | C14 | H5 | H6 | 121.9° | 121.1° |
| C14 | C15 | H7 | H8 | 121.2° | 122.2° |
| C14 | C15 | C18 | H11 | 103.8° | 140.3° |
| C14 | C15 | C18 | H12 | 134.9° | 96.4° |
| C5 | C6 | C1 | C2 | 0.1° | 0.4° |
| C5 | C6 | C1 | H14 | 180.0° | 179.6° |
| C5 | C6 | C1 | N1 | 179.8° | 180.0° |
| C14 | N13 | C12 | C11 | 174.6° | 72.6° |
| C14 | N13 | C12 | H3 | 65.8° | 167.4° |
| C14 | N13 | C12 | H4 | 55.1° | 47.4° |
| N13 | C14 | H5 | H6 | 121.9° | 121.1° |
| N13 | C14 | C15 | H7 | 114.5° | 120.0° |
| N13 | C14 | C15 | H8 | 124.6° | 117.8° |
| C14 | N13 | C16 | H9 | 84.8° | 79.2° |
| C14 | N13 | C16 | H10 | 153.4° | 157.8° |
| N13 | C12 | C11 | C10 | 172.3° | 180.0° |
| N13 | C12 | C11 | H3 | 119.5° | 120.0° |
| N13 | C12 | C11 | H4 | 119.5° | 120.0° |
| N13 | C12 | C11 | H1 | 67.1° | 60.0° |
| N13 | C12 | C11 | H2 | 51.7° | 60.0° |
| N13 | C12 | H3 | H4 | 121.4° | 120.0° |
| C12 | N13 | C14 | H5 | 102.7° | 94.9° |
| C12 | N13 | C14 | H6 | 18.6° | 26.2° |
| C12 | N13 | C16 | H9 | 28.4° | 41.5° |
| C12 | N13 | C16 | H10 | 93.4° | 81.5° |
| C2 | C10 | C11 | C9 | 179.7° | 179.9° |
| C2 | C10 | C11 | C12 | 100.8° | 85.0° |
| C10 | C2 | C1 | C6 | 179.9° | 179.8° |
| C10 | C2 | C1 | N1 | 0.2° | 0.1° |
| C2 | C10 | C9 | N1 | 0.2° | 0.0° |
| C2 | C10 | C11 | H1 | 138.6° | 155.0° |
| C2 | C10 | C11 | H2 | 19.8° | 35.1° |
| C2 | C10 | C9 | H18 | 179.8° | 180.0° |
| C1 | C2 | C10 | C11 | 180.0° | 180.0° |
| C1 | C2 | C10 | C9 | 0.2° | 0.0° |
| C2 | C1 | C6 | N1 | 179.9° | 179.6° |
| C2 | C1 | N1 | C9 | 0.1° | 0.1° |
| C2 | C1 | C6 | H14 | 179.9° | 179.9° |
| C2 | C1 | N1 | H19 | 179.9° | 179.9° |
| C10 | C11 | C12 | H1 | 120.6° | 120.0° |
| C10 | C11 | C12 | H2 | 120.6° | 120.0° |
| C11 | C10 | C9 | N1 | 180.0° | 180.0° |
| C10 | C11 | H1 | H2 | 118.1° | 119.9° |
| C10 | C11 | C12 | H3 | 68.1° | 60.0° |
| C10 | C11 | C12 | H4 | 52.8° | 60.0° |
| C11 | C10 | C9 | H18 | 0.0° | 0.0° |
| C12 | C11 | C10 | C9 | 78.9° | 95.0° |
| C12 | C11 | H1 | H2 | 118.1° | 120.1° |
| C11 | C12 | H3 | H4 | 121.4° | 120.0° |
| C10 | C9 | N1 | C1 | 0.1° | 0.0° |
| C10 | C9 | N1 | H18 | 180.0° | 180.0° |
| C9 | C10 | C11 | H1 | 41.7° | 25.1° |
| C9 | C10 | C11 | H2 | 160.5° | 145.0° |
| C10 | C9 | N1 | H19 | 179.9° | 180.0° |
| C6 | C1 | N1 | C9 | 179.9° | 179.7° |
| C1 | C6 | C5 | H13 | 179.7° | 179.8° |
| C6 | C1 | N1 | H19 | 0.0° | 0.3° |
| C1 | N1 | C9 | H19 | 180.0° | 180.0° |
| N1 | C1 | C6 | H14 | 0.3° | 0.3° |
| C1 | N1 | C9 | H18 | 179.9° | 180.0° |
| H1 | C11 | C12 | H3 | 52.5° | 180.0° |
| H1 | C11 | C12 | H4 | 173.4° | 59.9° |
| H2 | C11 | C12 | H3 | 171.2° | 60.0° |
| H2 | C11 | C12 | H4 | 67.8° | 180.0° |
| H5 | C14 | C15 | H7 | 4.8° | 120.6° |
| H5 | C14 | C15 | H8 | 116.0° | 1.6° |
| H6 | C14 | C15 | H7 | 126.1° | 0.6° |
| H6 | C14 | C15 | H8 | 5.3° | 122.7° |
| H7 | C15 | C18 | H11 | 15.8° | 21.4° |
| H7 | C15 | C18 | H12 | 105.6° | 144.7° |
| H8 | C15 | C18 | H11 | 136.6° | 100.7° |
| H8 | C15 | C18 | H12 | 15.2° | 22.6° |
| H9 | C16 | C18 | H11 | 151.7° | 37.4° |
| H9 | C16 | C18 | H12 | 30.3° | 160.7° |
| H10 | C16 | C18 | H11 | 29.9° | 85.7° |
| H10 | C16 | C18 | H12 | 91.5° | 37.6° |
| H13 | C5 | C6 | H14 | 0.3° | 0.1° |
| H15 | C8 | H16 | H17 | 120.0° | 120.0° |
| H18 | C9 | N1 | H19 | 0.1° | 0.0° |
