G8Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C19 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C07 | C08 | sing | 1.53Å | 1.52Å | |
| C07 | N06 | sing | 1.47Å | 1.47Å | |
| S09 | C08 | sing | 1.81Å | 1.80Å | |
| C19 | O18 | sing | 1.43Å | 1.42Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| N06 | C04 | sing | 1.47Å | 1.49Å | |
| O18 | C16 | sing | 1.43Å | 1.42Å | |
| C04 | O05 | sing | 1.43Å | 1.44Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| C16 | O17 | sing | 1.43Å | 1.43Å | |
| C16 | N02 | sing | 1.47Å | 1.48Å | |
| N02 | C03 | sing | 1.47Å | 1.48Å | |
| N02 | C01 | sing | 1.47Å | 1.46Å | |
| C03 | C10 | sing | 1.51Å | 1.49Å | |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.08Å | 1.08Å | |
| C12 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| N06 | H26 | sing | 1.01Å | 1.00Å | |
| O05 | H28 | sing | 0.97Å | 0.95Å | |
| O17 | H29 | sing | 0.97Å | 0.95Å | |
| S09 | H30 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C19 | C20 | 110.1° | 109.4° |
| C22 | C19 | O18 | 106.8° | 109.5° |
| C22 | C19 | C21 | 111.1° | 109.5° |
| C19 | C22 | H4 | 109.5° | 109.5° |
| C19 | C22 | H5 | 109.5° | 109.5° |
| C19 | C22 | H6 | 109.5° | 109.5° |
| C20 | C19 | O18 | 105.4° | 109.5° |
| C20 | C19 | C21 | 110.5° | 109.5° |
| C19 | C20 | H19 | 109.5° | 109.5° |
| C19 | C20 | H20 | 109.5° | 109.4° |
| C19 | C20 | H21 | 109.5° | 109.4° |
| C08 | C07 | N06 | 106.4° | 109.5° |
| C07 | C08 | S09 | 108.8° | 109.5° |
| C08 | C07 | H12 | 110.2° | 109.5° |
| C08 | C07 | H13 | 110.2° | 109.5° |
| C07 | C08 | H14 | 109.7° | 109.4° |
| C07 | C08 | H15 | 109.7° | 109.5° |
| C07 | N06 | C04 | 111.4° | 111.0° |
| N06 | C07 | H12 | 110.2° | 109.4° |
| N06 | C07 | H13 | 110.2° | 109.5° |
| C07 | N06 | H26 | 109.0° | 111.0° |
| S09 | C08 | H14 | 109.6° | 109.5° |
| S09 | C08 | H15 | 109.6° | 109.5° |
| C08 | S09 | H30 | 102.0° | 103.0° |
| O18 | C19 | C21 | 112.7° | 109.5° |
| C19 | O18 | C16 | 119.1° | 114.0° |
| C19 | C21 | H22 | 109.5° | 109.5° |
| C19 | C21 | H23 | 109.5° | 109.5° |
| C19 | C21 | H24 | 109.5° | 109.5° |
| N06 | C04 | O05 | 115.9° | 109.5° |
| N06 | C04 | C03 | 108.2° | 109.5° |
| N06 | C04 | H11 | 106.7° | 109.5° |
| C04 | N06 | H26 | 109.0° | 111.0° |
| O18 | C16 | O17 | 108.8° | 109.5° |
| O18 | C16 | N02 | 110.9° | 109.4° |
| O18 | C16 | H18 | 109.7° | 109.5° |
| O05 | C04 | C03 | 111.8° | 109.5° |
| O05 | C04 | H11 | 107.4° | 109.4° |
| C04 | O05 | H28 | 109.5° | 114.0° |
| C04 | C03 | N02 | 109.3° | 109.5° |
| C04 | C03 | C10 | 107.4° | 109.5° |
| C04 | C03 | H10 | 107.7° | 109.5° |
| C03 | C04 | H11 | 106.3° | 109.4° |
| O17 | C16 | N02 | 108.9° | 109.5° |
| O17 | C16 | H18 | 109.6° | 109.5° |
| C16 | O17 | H29 | 109.5° | 114.0° |
| C16 | N02 | C03 | 112.0° | 111.0° |
| C16 | N02 | C01 | 105.9° | 111.0° |
| N02 | C16 | H18 | 109.0° | 109.4° |
| C03 | N02 | C01 | 110.6° | 111.0° |
| N02 | C03 | C10 | 115.7° | 109.4° |
| N02 | C03 | H10 | 108.3° | 109.5° |
| N02 | C01 | H7 | 109.5° | 109.4° |
| N02 | C01 | H8 | 109.4° | 109.5° |
| N02 | C01 | H9 | 109.5° | 109.5° |
| C03 | C10 | C11 | 123.1° | 120.1° |
| C03 | C10 | C15 | 117.5° | 120.0° |
| C10 | C03 | H10 | 108.2° | 109.5° |
| C10 | C11 | C12 | 120.2° | 120.0° |
| C11 | C10 | C15 | 119.4° | 120.0° |
| C10 | C11 | H16 | 119.9° | 120.0° |
| C11 | C12 | C13 | 120.1° | 120.0° |
| C12 | C11 | H16 | 119.9° | 120.0° |
| C11 | C12 | H17 | 120.0° | 119.9° |
| C10 | C15 | C14 | 120.5° | 120.0° |
| C10 | C15 | H3 | 119.7° | 120.0° |
| C12 | C13 | C14 | 119.8° | 120.0° |
| C12 | C13 | H1 | 120.1° | 120.0° |
| C13 | C12 | H17 | 119.9° | 120.0° |
| C15 | C14 | C13 | 119.9° | 120.0° |
| C15 | C14 | H2 | 120.0° | 120.0° |
| C14 | C15 | H3 | 119.7° | 120.0° |
| C14 | C13 | H1 | 120.1° | 120.0° |
| C13 | C14 | H2 | 120.0° | 120.0° |
| H4 | C22 | H5 | 109.4° | 109.4° |
| H4 | C22 | H6 | 109.5° | 109.5° |
| H5 | C22 | H6 | 109.5° | 109.4° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H12 | C07 | H13 | 109.4° | 109.5° |
| H14 | C08 | H15 | 109.5° | 109.5° |
| H19 | C20 | H20 | 109.4° | 109.5° |
| H19 | C20 | H21 | 109.5° | 109.5° |
| H20 | C20 | H21 | 109.5° | 109.5° |
| H22 | C21 | H23 | 109.4° | 109.5° |
| H22 | C21 | H24 | 109.5° | 109.4° |
| H23 | C21 | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C19 | C20 | O18 | 114.8° | 120.0° |
| C22 | C19 | C20 | C21 | 123.1° | 120.0° |
| C22 | C19 | O18 | C21 | 122.2° | 120.0° |
| C22 | C19 | O18 | C16 | 102.9° | 63.7° |
| C19 | C22 | H4 | H5 | 120.0° | 120.0° |
| C19 | C22 | H4 | H6 | 120.0° | 120.0° |
| C19 | C22 | H5 | H6 | 120.0° | 120.0° |
| C22 | C19 | C20 | H19 | 180.0° | 66.4° |
| C22 | C19 | C20 | H20 | 60.0° | 173.6° |
| C22 | C19 | C20 | H21 | 60.0° | 53.6° |
| C22 | C19 | C21 | H22 | 180.0° | 60.0° |
| C22 | C19 | C21 | H23 | 60.0° | 179.9° |
| C22 | C19 | C21 | H24 | 60.0° | 60.0° |
| C20 | C19 | O18 | C21 | 120.7° | 120.0° |
| C20 | C19 | O18 | C16 | 139.9° | 56.3° |
| C20 | C19 | C22 | H4 | 180.0° | 173.8° |
| C20 | C19 | C22 | H5 | 60.0° | 66.2° |
| C20 | C19 | C22 | H6 | 60.0° | 53.8° |
| C19 | C20 | H19 | H20 | 120.0° | 120.0° |
| C19 | C20 | H19 | H21 | 120.0° | 120.0° |
| C19 | C20 | H20 | H21 | 120.0° | 119.9° |
| C20 | C19 | C21 | H22 | 57.4° | 180.0° |
| C20 | C19 | C21 | H23 | 62.5° | 60.0° |
| C20 | C19 | C21 | H24 | 177.5° | 60.0° |
| C08 | C07 | N06 | H12 | 119.5° | 120.0° |
| C08 | C07 | N06 | H13 | 119.5° | 120.0° |
| C07 | C08 | S09 | H14 | 119.9° | 119.9° |
| C07 | C08 | S09 | H15 | 119.9° | 120.0° |
| C08 | C07 | N06 | C04 | 87.2° | 180.0° |
| C08 | C07 | H12 | H13 | 121.4° | 120.0° |
| C07 | C08 | H14 | H15 | 120.3° | 120.0° |
| C08 | C07 | N06 | H26 | 152.5° | 56.0° |
| C07 | C08 | S09 | H30 | 180.0° | 180.0° |
| N06 | C07 | C08 | S09 | 98.4° | 180.0° |
| C07 | N06 | C04 | H26 | 120.3° | 123.9° |
| C07 | N06 | C04 | O05 | 22.6° | 95.0° |
| C07 | N06 | C04 | C03 | 149.1° | 145.0° |
| C07 | N06 | C04 | H11 | 96.9° | 25.0° |
| N06 | C07 | H12 | H13 | 121.4° | 120.0° |
| N06 | C07 | C08 | H14 | 141.7° | 60.0° |
| N06 | C07 | C08 | H15 | 21.5° | 60.0° |
| S09 | C08 | C07 | H12 | 142.1° | 60.0° |
| S09 | C08 | C07 | H13 | 21.1° | 60.0° |
| S09 | C08 | H14 | H15 | 120.3° | 120.1° |
| C19 | O18 | C16 | O17 | 70.9° | 81.2° |
| C19 | O18 | C16 | N02 | 169.3° | 158.8° |
| O18 | C19 | C22 | H4 | 66.0° | 53.8° |
| O18 | C19 | C22 | H5 | 174.0° | 173.8° |
| O18 | C19 | C22 | H6 | 54.0° | 66.2° |
| C19 | O18 | C16 | H18 | 48.9° | 38.8° |
| O18 | C19 | C20 | H19 | 65.2° | 173.6° |
| O18 | C19 | C20 | H20 | 54.8° | 53.6° |
| O18 | C19 | C20 | H21 | 174.8° | 66.4° |
| O18 | C19 | C21 | H22 | 60.2° | 60.1° |
| O18 | C19 | C21 | H23 | 179.8° | 60.0° |
| O18 | C19 | C21 | H24 | 59.8° | 180.0° |
| C21 | C19 | O18 | C16 | 19.3° | 176.2° |
| C21 | C19 | C22 | H4 | 57.2° | 66.2° |
| C21 | C19 | C22 | H5 | 62.8° | 53.8° |
| C21 | C19 | C22 | H6 | 177.3° | 173.7° |
| C21 | C19 | C20 | H19 | 56.9° | 53.6° |
| C21 | C19 | C20 | H20 | 176.9° | 66.4° |
| C21 | C19 | C20 | H21 | 63.1° | 173.6° |
| C19 | C21 | H22 | H23 | 120.0° | 120.1° |
| C19 | C21 | H22 | H24 | 120.0° | 120.0° |
| C19 | C21 | H23 | H24 | 120.0° | 120.0° |
| N06 | C04 | O05 | C03 | 124.7° | 120.0° |
| N06 | C04 | O05 | H11 | 119.1° | 120.0° |
| N06 | C04 | C03 | H11 | 114.3° | 120.0° |
| N06 | C04 | C03 | N02 | 47.7° | 174.7° |
| N06 | C04 | C03 | C10 | 78.5° | 54.7° |
| N06 | C04 | C03 | H10 | 165.2° | 65.4° |
| C04 | N06 | C07 | H12 | 32.4° | 60.0° |
| C04 | N06 | C07 | H13 | 153.3° | 60.0° |
| N06 | C04 | O05 | H28 | 180.0° | 60.0° |
| O18 | C16 | O17 | N02 | 121.0° | 120.0° |
| O18 | C16 | O17 | H18 | 119.9° | 120.0° |
| O18 | C16 | N02 | H18 | 120.8° | 120.0° |
| O18 | C16 | N02 | C03 | 72.1° | 173.0° |
| O18 | C16 | N02 | C01 | 167.2° | 49.1° |
| O18 | C16 | O17 | H29 | 180.0° | 64.2° |
| O05 | C04 | C03 | H11 | 116.8° | 120.0° |
| O05 | C04 | C03 | N02 | 176.6° | 65.3° |
| O05 | C04 | C03 | C10 | 50.3° | 174.8° |
| O05 | C04 | C03 | H10 | 66.0° | 54.7° |
| O05 | C04 | N06 | H26 | 142.8° | 141.1° |
| C04 | C03 | N02 | C16 | 71.3° | 70.5° |
| C04 | C03 | N02 | C10 | 121.3° | 120.0° |
| C04 | C03 | N02 | H10 | 117.1° | 120.0° |
| C04 | C03 | N02 | C01 | 170.9° | 165.6° |
| C04 | C03 | C10 | H10 | 116.0° | 120.0° |
| C04 | C03 | C10 | C11 | 74.2° | 71.7° |
| C04 | C03 | C10 | C15 | 104.6° | 108.3° |
| C03 | C04 | N06 | H26 | 90.7° | 21.0° |
| C03 | C04 | O05 | H28 | 55.3° | 60.0° |
| O17 | C16 | N02 | H18 | 119.5° | 120.0° |
| O17 | C16 | N02 | C03 | 168.2° | 53.0° |
| O17 | C16 | N02 | C01 | 47.6° | 70.9° |
| C16 | N02 | C03 | C01 | 117.8° | 123.9° |
| C16 | N02 | C03 | C10 | 167.4° | 169.5° |
| C16 | N02 | C01 | H7 | 180.0° | 63.5° |
| C16 | N02 | C01 | H8 | 60.0° | 176.6° |
| C16 | N02 | C01 | H9 | 60.0° | 56.5° |
| C16 | N02 | C03 | H10 | 45.8° | 49.5° |
| N02 | C16 | O17 | H29 | 59.0° | 55.7° |
| N02 | C03 | C10 | H10 | 121.7° | 120.0° |
| N02 | C03 | C10 | C11 | 48.1° | 48.3° |
| N02 | C03 | C10 | C15 | 133.0° | 131.8° |
| C03 | N02 | C01 | H7 | 58.5° | 172.6° |
| C03 | N02 | C01 | H8 | 61.5° | 52.6° |
| C03 | N02 | C01 | H9 | 178.5° | 67.4° |
| N02 | C03 | C04 | H11 | 66.6° | 54.7° |
| C03 | N02 | C16 | H18 | 48.7° | 67.0° |
| C01 | N02 | C03 | C10 | 49.6° | 45.6° |
| N02 | C01 | H7 | H8 | 120.0° | 120.0° |
| N02 | C01 | H7 | H9 | 120.0° | 120.0° |
| N02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C01 | N02 | C03 | H10 | 72.0° | 74.4° |
| C01 | N02 | C16 | H18 | 72.0° | 169.1° |
| C03 | C10 | C11 | C15 | 178.8° | 180.0° |
| C03 | C10 | C11 | C12 | 178.8° | 179.8° |
| C03 | C10 | C15 | C14 | 178.8° | 180.0° |
| C03 | C10 | C15 | H3 | 1.2° | 0.1° |
| C10 | C03 | C04 | H11 | 167.2° | 65.3° |
| C03 | C10 | C11 | H16 | 1.2° | 0.0° |
| C10 | C11 | C12 | H16 | 180.0° | 179.8° |
| C10 | C11 | C12 | C13 | 0.0° | 0.5° |
| C11 | C10 | C15 | C14 | 0.0° | 0.0° |
| C11 | C10 | C15 | H3 | 180.0° | 179.9° |
| C11 | C10 | C03 | H10 | 169.8° | 168.2° |
| C10 | C11 | C12 | H17 | 180.0° | 180.0° |
| C12 | C11 | C10 | C15 | 0.1° | 0.2° |
| C11 | C12 | C13 | H17 | 180.0° | 179.5° |
| C11 | C12 | C13 | C14 | 0.2° | 0.5° |
| C11 | C12 | C13 | H1 | 179.9° | 179.7° |
| C10 | C15 | C14 | H3 | 180.0° | 180.0° |
| C10 | C15 | C14 | C13 | 0.2° | NaN° |
| C10 | C15 | C14 | H2 | 179.8° | 180.0° |
| C15 | C10 | C03 | H10 | 11.4° | 11.8° |
| C15 | C10 | C11 | H16 | 179.9° | 180.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.3° |
| C12 | C13 | C14 | H1 | 180.0° | 179.7° |
| C12 | C13 | C14 | H2 | 179.8° | 179.7° |
| C13 | C12 | C11 | H16 | 180.0° | 179.7° |
| C15 | C14 | C13 | H2 | 180.0° | 180.0° |
| C15 | C14 | C13 | H1 | 179.8° | 180.0° |
| C13 | C14 | C15 | H3 | 179.8° | 180.0° |
| C14 | C13 | C12 | H17 | 179.8° | 180.0° |
| H1 | C13 | C14 | H2 | 0.2° | 0.0° |
| H1 | C13 | C12 | H17 | 0.1° | 0.3° |
| H2 | C14 | C15 | H3 | 0.2° | 0.0° |
| H4 | C22 | H5 | H6 | 120.0° | 120.0° |
| H7 | C01 | H8 | H9 | 120.0° | 120.0° |
| H10 | C03 | C04 | H11 | 50.9° | 174.6° |
| H11 | C04 | N06 | H26 | 23.4° | 98.9° |
| H11 | C04 | O05 | H28 | 60.9° | 179.9° |
| H12 | C07 | C08 | H14 | 22.2° | 59.9° |
| H12 | C07 | C08 | H15 | 98.0° | 180.0° |
| H12 | C07 | N06 | H26 | 87.9° | 176.0° |
| H13 | C07 | C08 | H14 | 98.8° | 180.0° |
| H13 | C07 | C08 | H15 | 141.0° | 60.0° |
| H13 | C07 | N06 | H26 | 33.0° | 64.0° |
| H14 | C08 | S09 | H30 | 60.1° | 60.1° |
| H15 | C08 | S09 | H30 | 60.1° | 60.0° |
| H16 | C11 | C12 | H17 | 0.0° | 0.2° |
| H18 | C16 | O17 | H29 | 60.1° | 175.7° |
| H19 | C20 | H20 | H21 | 120.0° | 120.1° |
| H22 | C21 | H23 | H24 | 120.0° | 119.9° |
