GYQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | N10 | doub | 1.32Å | 1.32Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| N10 | C9 | sing | 1.33Å | 1.34Å | Aromatic |
| C12 | N13 | sing | 1.38Å | 1.39Å | |
| C12 | C17 | doub | 1.41Å | 1.42Å | Aromatic |
| N13 | C14 | sing | 1.35Å | 1.34Å | |
| C9 | N8 | sing | 1.35Å | 1.39Å | |
| C9 | N18 | doub | 1.33Å | 1.34Å | Aromatic |
| N8 | C7 | doub | 1.32Å | 1.41Å | |
| O1 | C2 | doub | 1.22Å | 1.22Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | C19 | sing | 1.53Å | 1.53Å | |
| C14 | O15 | doub | 1.22Å | 1.21Å | |
| C14 | N16 | sing | 1.35Å | 1.35Å | |
| C17 | N18 | sing | 1.32Å | 1.34Å | Aromatic |
| C17 | N16 | sing | 1.38Å | 1.39Å | |
| C7 | C2 | sing | 1.48Å | 1.41Å | |
| C7 | C6 | sing | 1.47Å | 1.38Å | |
| C2 | N3 | sing | 1.34Å | 1.35Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| N16 | C19 | sing | 1.47Å | 1.46Å | |
| N27 | C26 | trip | 1.14Å | 1.15Å | |
| C6 | C5 | doub | 1.36Å | 1.40Å | |
| N3 | C4 | doub | 1.31Å | 1.36Å | |
| C19 | C29 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | sing | 1.47Å | 1.46Å | |
| C4 | C5 | sing | 1.40Å | 1.35Å | |
| C23 | C25 | sing | 1.53Å | 1.55Å | |
| C23 | C28 | sing | 1.53Å | 1.55Å | |
| C29 | C28 | sing | 1.53Å | 1.57Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| N13 | H5 | sing | 0.97Å | 1.00Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N10 | C11 | C12 | 118.5° | 118.8° |
| C11 | N10 | C9 | 122.1° | 121.1° |
| N10 | C11 | H4 | 120.8° | 120.6° |
| C11 | C12 | N13 | 133.6° | 134.5° |
| C11 | C12 | C17 | 119.1° | 118.7° |
| C12 | C11 | H4 | 120.8° | 120.6° |
| N10 | C9 | N8 | 113.5° | 119.0° |
| N10 | C9 | N18 | 121.2° | 122.0° |
| N13 | C12 | C17 | 107.3° | 106.8° |
| C12 | N13 | C14 | 108.1° | 108.4° |
| C12 | N13 | H5 | 125.9° | 125.8° |
| C12 | C17 | N18 | 118.8° | 119.0° |
| C12 | C17 | N16 | 105.8° | 106.6° |
| N13 | C14 | O15 | 123.8° | 125.1° |
| N13 | C14 | N16 | 110.1° | 109.8° |
| C14 | N13 | H5 | 125.9° | 125.8° |
| N8 | C9 | N18 | 125.2° | 119.0° |
| C9 | N8 | C7 | 130.1° | 120.0° |
| C9 | N18 | C17 | 120.3° | 120.4° |
| N8 | C7 | C2 | 115.4° | 121.4° |
| N8 | C7 | C6 | 126.3° | 121.3° |
| O1 | C2 | C7 | 120.2° | 120.6° |
| O1 | C2 | N3 | 119.5° | 120.6° |
| C22 | C21 | C19 | 107.6° | 109.5° |
| C21 | C22 | C23 | 109.2° | 109.5° |
| C22 | C21 | H7 | 109.9° | 109.5° |
| C22 | C21 | H8 | 110.0° | 109.5° |
| C21 | C22 | H10 | 109.5° | 109.5° |
| C21 | C22 | H11 | 109.5° | 109.4° |
| C21 | C19 | N16 | 108.7° | 109.5° |
| C21 | C19 | C29 | 108.7° | 109.5° |
| C21 | C19 | H6 | 107.2° | 109.5° |
| C19 | C21 | H7 | 110.0° | 109.4° |
| C19 | C21 | H8 | 109.9° | 109.5° |
| O15 | C14 | N16 | 126.0° | 125.1° |
| C14 | N16 | C17 | 108.6° | 108.4° |
| C14 | N16 | C19 | 123.1° | 125.8° |
| N18 | C17 | N16 | 135.4° | 134.4° |
| C17 | N16 | C19 | 128.1° | 125.8° |
| C2 | C7 | C6 | 118.3° | 117.3° |
| C7 | C2 | N3 | 120.3° | 118.9° |
| C7 | C6 | C5 | 119.6° | 117.8° |
| C7 | C6 | H3 | 120.2° | 121.1° |
| C2 | N3 | C4 | 121.0° | 122.2° |
| C22 | C23 | C25 | 109.5° | 109.5° |
| C22 | C23 | C28 | 109.5° | 109.5° |
| C22 | C23 | H9 | 110.9° | 109.5° |
| C23 | C22 | H10 | 109.5° | 109.5° |
| C23 | C22 | H11 | 109.5° | 109.5° |
| N16 | C19 | C29 | 116.5° | 109.4° |
| N16 | C19 | H6 | 108.1° | 109.4° |
| N27 | C26 | C25 | 177.0° | 180.0° |
| C6 | C5 | C4 | 119.9° | 120.7° |
| C6 | C5 | H2 | 120.0° | 119.7° |
| C5 | C6 | H3 | 120.2° | 121.1° |
| N3 | C4 | C5 | 120.8° | 123.1° |
| N3 | C4 | H1 | 119.6° | 118.4° |
| C19 | C29 | C28 | 106.8° | 109.5° |
| C29 | C19 | H6 | 107.2° | 109.5° |
| C19 | C29 | H16 | 110.1° | 109.5° |
| C19 | C29 | H17 | 110.1° | 109.5° |
| C26 | C25 | C23 | 110.0° | 109.4° |
| C26 | C25 | H12 | 109.4° | 109.4° |
| C26 | C25 | H13 | 109.3° | 109.5° |
| C5 | C4 | H1 | 119.6° | 118.5° |
| C4 | C5 | H2 | 120.1° | 119.6° |
| C25 | C23 | C28 | 105.4° | 109.4° |
| C25 | C23 | H9 | 110.7° | 109.4° |
| C23 | C25 | H12 | 109.3° | 109.5° |
| C23 | C25 | H13 | 109.3° | 109.5° |
| C23 | C28 | C29 | 111.1° | 109.4° |
| C28 | C23 | H9 | 110.7° | 109.5° |
| C23 | C28 | H14 | 109.0° | 109.5° |
| C23 | C28 | H15 | 109.1° | 109.5° |
| C29 | C28 | H14 | 109.1° | 109.5° |
| C29 | C28 | H15 | 109.1° | 109.5° |
| C28 | C29 | H16 | 110.1° | 109.5° |
| C28 | C29 | H17 | 110.1° | 109.4° |
| H7 | C21 | H8 | 109.4° | 109.4° |
| H10 | C22 | H11 | 109.5° | 109.4° |
| H12 | C25 | H13 | 109.5° | 109.5° |
| H14 | C28 | H15 | 109.5° | 109.5° |
| H16 | C29 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N10 | C11 | C12 | H4 | 180.0° | 180.0° |
| N10 | C11 | C12 | N13 | 179.2° | 179.9° |
| N10 | C11 | C12 | C17 | 0.8° | 0.0° |
| C11 | N10 | C9 | N8 | 179.9° | 180.0° |
| C11 | N10 | C9 | N18 | 0.9° | 0.0° |
| C12 | C11 | N10 | C9 | 0.1° | 0.0° |
| C11 | C12 | N13 | C17 | 178.6° | 179.9° |
| C11 | C12 | N13 | C14 | 177.9° | 179.9° |
| C11 | C12 | C17 | N18 | 0.5° | 0.0° |
| C11 | C12 | C17 | N16 | 178.7° | 179.9° |
| C11 | C12 | N13 | H5 | 2.1° | 0.1° |
| N10 | C9 | N8 | N18 | 179.1° | 180.0° |
| N10 | C9 | N8 | C7 | 172.9° | 85.2° |
| N10 | C9 | N18 | C17 | 1.3° | 0.0° |
| C9 | N10 | C11 | H4 | 179.9° | 180.0° |
| C12 | N13 | C14 | H5 | 180.0° | 180.0° |
| C12 | N13 | C14 | O15 | 179.5° | 180.0° |
| C12 | N13 | C14 | N16 | 1.1° | 0.0° |
| N13 | C12 | C17 | N18 | 179.3° | 180.0° |
| N13 | C12 | C17 | N16 | 0.1° | 0.0° |
| N13 | C12 | C11 | H4 | 0.8° | 0.1° |
| C17 | C12 | N13 | C14 | 0.7° | 0.0° |
| C12 | C17 | N18 | C9 | 0.6° | 0.0° |
| C12 | C17 | N16 | C14 | 0.6° | 0.0° |
| C12 | C17 | N18 | N16 | 178.9° | 179.9° |
| C12 | C17 | N16 | C19 | 177.0° | 180.0° |
| C17 | C12 | C11 | H4 | 179.2° | 180.0° |
| C17 | C12 | N13 | H5 | 179.3° | 180.0° |
| N13 | C14 | O15 | N16 | 179.3° | 179.9° |
| N13 | C14 | N16 | C17 | 1.0° | 0.1° |
| N13 | C14 | N16 | C19 | 177.7° | 180.0° |
| N8 | C9 | N18 | C17 | 179.7° | 180.0° |
| C9 | N8 | C7 | C2 | 171.2° | 174.7° |
| C9 | N8 | C7 | C6 | 9.8° | 5.4° |
| N18 | C9 | N8 | C7 | 8.0° | 94.8° |
| C9 | N18 | C17 | N16 | 179.5° | 179.9° |
| N8 | C7 | C2 | O1 | 0.7° | 0.3° |
| N8 | C7 | C2 | C6 | 179.1° | 180.0° |
| N8 | C7 | C2 | N3 | 179.6° | 180.0° |
| N8 | C7 | C6 | C5 | 179.3° | 180.0° |
| N8 | C7 | C6 | H3 | 0.7° | 0.1° |
| O1 | C2 | C7 | N3 | 179.7° | 179.7° |
| O1 | C2 | C7 | C6 | 179.8° | 179.7° |
| O1 | C2 | N3 | C4 | 179.8° | 179.8° |
| C22 | C21 | C19 | H7 | 119.7° | 120.0° |
| C22 | C21 | C19 | H8 | 119.7° | 120.1° |
| C21 | C22 | C23 | H10 | 119.9° | 120.1° |
| C21 | C22 | C23 | H11 | 120.0° | 120.0° |
| C22 | C21 | C19 | N16 | 164.6° | 180.0° |
| C22 | C21 | C19 | C29 | 67.7° | 60.0° |
| C21 | C22 | C23 | C25 | 173.4° | 180.0° |
| C21 | C22 | C23 | C28 | 58.3° | 60.0° |
| C22 | C21 | C19 | H6 | 47.9° | 60.1° |
| C22 | C21 | H7 | H8 | 120.9° | 120.0° |
| C21 | C22 | C23 | H9 | 64.1° | 60.1° |
| C21 | C22 | H10 | H11 | 120.1° | 120.0° |
| C21 | C19 | N16 | C14 | 117.4° | 60.0° |
| C21 | C19 | N16 | C17 | 58.6° | 119.9° |
| C19 | C21 | C22 | C23 | 63.9° | 59.9° |
| C21 | C19 | N16 | C29 | 123.2° | 120.1° |
| C21 | C19 | N16 | H6 | 116.1° | 120.0° |
| C21 | C19 | C29 | H6 | 115.6° | 120.0° |
| C21 | C19 | C29 | C28 | 63.8° | 60.0° |
| C19 | C21 | H7 | H8 | 120.9° | 120.0° |
| C19 | C21 | C22 | H10 | 176.1° | 180.0° |
| C19 | C21 | C22 | H11 | 56.0° | 60.0° |
| C21 | C19 | C29 | H16 | 176.6° | 180.0° |
| C21 | C19 | C29 | H17 | 55.8° | 60.0° |
| O15 | C14 | N16 | C17 | 179.6° | 180.0° |
| O15 | C14 | N16 | C19 | 2.9° | 0.1° |
| O15 | C14 | N13 | H5 | 0.5° | 0.1° |
| C14 | N16 | C17 | N18 | 178.4° | 180.0° |
| C14 | N16 | C17 | C19 | 176.4° | 179.9° |
| C14 | N16 | C19 | C29 | 119.5° | 60.1° |
| N16 | C14 | N13 | H5 | 178.9° | 180.0° |
| C14 | N16 | C19 | H6 | 1.3° | 180.0° |
| N18 | C17 | N16 | C19 | 2.1° | 0.1° |
| C17 | N16 | C19 | C29 | 64.6° | 120.0° |
| C17 | N16 | C19 | H6 | 174.6° | 0.1° |
| C2 | C7 | C6 | C5 | 0.3° | 0.0° |
| C7 | C2 | N3 | C4 | 0.5° | 0.0° |
| C2 | C7 | C6 | H3 | 179.7° | 180.0° |
| C6 | C7 | C2 | N3 | 0.5° | 0.0° |
| C7 | C6 | C5 | H3 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 0.1° | 0.0° |
| C7 | C6 | C5 | H2 | 179.9° | 179.9° |
| C2 | N3 | C4 | C5 | 0.3° | 0.1° |
| C2 | N3 | C4 | H1 | 179.6° | 180.0° |
| C22 | C23 | C25 | C26 | 60.5° | 65.0° |
| C22 | C23 | C25 | C28 | 117.7° | 120.0° |
| C22 | C23 | C25 | H9 | 122.6° | 120.0° |
| C22 | C23 | C28 | H9 | 122.6° | 120.1° |
| C22 | C23 | C28 | C29 | 56.1° | 60.0° |
| C23 | C22 | C21 | H7 | 176.3° | 60.0° |
| C23 | C22 | C21 | H8 | 55.8° | 180.0° |
| C23 | C22 | H10 | H11 | 120.1° | 120.0° |
| C22 | C23 | C25 | H12 | 179.4° | 55.0° |
| C22 | C23 | C25 | H13 | 59.6° | 175.0° |
| C22 | C23 | C28 | H14 | 176.3° | 180.0° |
| C22 | C23 | C28 | H15 | 64.2° | 60.0° |
| N16 | C19 | C29 | H6 | 121.2° | 119.9° |
| N16 | C19 | C29 | C28 | 173.0° | 180.0° |
| N16 | C19 | C21 | H7 | 44.8° | 60.0° |
| N16 | C19 | C21 | H8 | 75.7° | 59.9° |
| N16 | C19 | C29 | H16 | 53.5° | 60.0° |
| N16 | C19 | C29 | H17 | 67.4° | 60.1° |
| N27 | C26 | C25 | C23 | 161.4° | 166.8° |
| N27 | C26 | C25 | H12 | 41.4° | 46.8° |
| N27 | C26 | C25 | H13 | 78.5° | 73.2° |
| C6 | C5 | C4 | N3 | 0.1° | 0.0° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | H1 | 179.9° | 179.9° |
| N3 | C4 | C5 | H1 | 180.0° | 179.9° |
| N3 | C4 | C5 | H2 | 179.9° | 179.9° |
| C19 | C29 | C28 | C23 | 58.3° | 60.0° |
| C19 | C29 | C28 | H16 | 119.6° | 120.0° |
| C19 | C29 | C28 | H17 | 119.6° | 120.0° |
| C29 | C19 | C21 | H7 | 172.6° | 60.0° |
| C29 | C19 | C21 | H8 | 52.0° | 180.0° |
| C19 | C29 | C28 | H14 | 178.6° | 179.9° |
| C19 | C29 | C28 | H15 | 61.9° | 60.0° |
| C19 | C29 | H16 | H17 | 121.2° | 120.0° |
| C26 | C25 | C23 | H12 | 120.1° | 119.9° |
| C26 | C25 | C23 | H13 | 120.1° | 120.0° |
| C26 | C25 | C23 | C28 | 178.2° | 175.0° |
| C26 | C25 | C23 | H9 | 62.1° | 55.0° |
| C26 | C25 | H12 | H13 | 119.8° | 120.0° |
| C4 | C5 | C6 | H3 | 179.9° | 179.9° |
| C25 | C23 | C28 | H9 | 119.7° | 119.9° |
| C25 | C23 | C28 | C29 | 173.8° | 180.0° |
| C25 | C23 | C22 | H10 | 66.7° | 60.0° |
| C25 | C23 | C22 | H11 | 53.4° | 60.0° |
| C23 | C25 | H12 | H13 | 119.7° | 120.1° |
| C25 | C23 | C28 | H14 | 66.0° | 60.0° |
| C25 | C23 | C28 | H15 | 53.5° | 60.0° |
| C23 | C28 | C29 | H14 | 120.2° | 120.0° |
| C23 | C28 | C29 | H15 | 120.2° | 119.9° |
| C28 | C23 | C22 | H10 | 178.2° | 179.9° |
| C28 | C23 | C22 | H11 | 61.7° | 60.0° |
| C28 | C23 | C25 | H12 | 61.7° | 65.1° |
| C28 | C23 | C25 | H13 | 58.1° | 55.0° |
| C23 | C28 | H14 | H15 | 119.2° | 120.0° |
| C23 | C28 | C29 | H16 | 177.9° | 180.0° |
| C23 | C28 | C29 | H17 | 61.2° | 60.0° |
| C28 | C29 | C19 | H6 | 51.8° | 60.0° |
| C29 | C28 | C23 | H9 | 66.5° | 60.1° |
| C29 | C28 | H14 | H15 | 119.3° | 120.0° |
| C28 | C29 | H16 | H17 | 121.2° | 120.0° |
| H1 | C4 | C5 | H2 | 0.1° | 0.0° |
| H2 | C5 | C6 | H3 | 0.1° | 0.1° |
| H6 | C19 | C21 | H7 | 71.8° | 179.9° |
| H6 | C19 | C21 | H8 | 167.6° | 60.0° |
| H6 | C19 | C29 | H16 | 67.8° | 60.0° |
| H6 | C19 | C29 | H17 | 171.4° | NaN° |
| H7 | C21 | C22 | H10 | 56.4° | 60.0° |
| H7 | C21 | C22 | H11 | 63.7° | 180.0° |
| H8 | C21 | C22 | H10 | 64.2° | 60.0° |
| H8 | C21 | C22 | H11 | 175.7° | 60.0° |
| H9 | C23 | C22 | H10 | 55.8° | 60.0° |
| H9 | C23 | C22 | H11 | 175.9° | 180.0° |
| H9 | C23 | C25 | H12 | 58.0° | 174.9° |
| H9 | C23 | C25 | H13 | 177.8° | 65.0° |
| H9 | C23 | C28 | H14 | 53.8° | 59.9° |
| H9 | C23 | C28 | H15 | 173.2° | 180.0° |
| H14 | C28 | C29 | H16 | 61.9° | 60.0° |
| H14 | C28 | C29 | H17 | 59.0° | 60.0° |
| H15 | C28 | C29 | H16 | 57.7° | 60.1° |
| H15 | C28 | C29 | H17 | 178.5° | 180.0° |
