ZQ2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | sing | 1.49Å | 1.49Å | |
| C10 | C9 | doub | 1.37Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.35Å | 1.35Å | Aromatic |
| C18 | O6 | sing | 1.25Å | 1.25Å | |
| C18 | O5 | sing | 1.28Å | 1.28Å | |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| O6 | RU2 | sing | 2.04Å | 2.04Å | |
| O5 | RU1 | sing | 2.07Å | 2.07Å | |
| RU2 | RU1 | sing | 2.30Å | 2.30Å | |
| RU2 | N2 | sing | 2.01Å | 2.01Å | |
| C5 | C6 | doub | 1.36Å | 1.36Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.37Å | 1.37Å | Aromatic |
| C11 | C12 | doub | 1.36Å | 1.36Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| RU1 | N1 | sing | 2.02Å | 2.02Å | |
| C7 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | N2 | sing | 1.43Å | 1.43Å | |
| C8 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| N2 | C1 | sing | 1.33Å | 1.33Å | |
| C2 | N1 | sing | 1.43Å | 1.43Å | |
| C1 | N1 | sing | 1.32Å | 1.32Å | |
| C12 | C13 | sing | 1.36Å | 1.36Å | Aromatic |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.10Å | 1.10Å | |
| C1 | H8 | sing | 1.10Å | 1.10Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C5 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.10Å | 1.10Å | |
| C19 | H14 | sing | 1.10Å | 1.10Å | |
| C19 | H15 | sing | 1.10Å | 1.10Å | |
| C1 | H16 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | O6 | 115.4° | 115.4° |
| C19 | C18 | O5 | 121.7° | 121.7° |
| C19 | C18 | H7 | 90.3° | 90.3° |
| C18 | C19 | H13 | 109.5° | 109.5° |
| C18 | C19 | H14 | 109.5° | 109.5° |
| C18 | C19 | H15 | 109.4° | 109.4° |
| C9 | C10 | C11 | 120.6° | 120.6° |
| C10 | C9 | C8 | 119.8° | 119.8° |
| C9 | C10 | H11 | 119.7° | 119.7° |
| C10 | C9 | H12 | 120.1° | 120.1° |
| C10 | C11 | C12 | 120.6° | 120.6° |
| C10 | C11 | H1 | 119.7° | 119.7° |
| C11 | C10 | H11 | 119.7° | 119.7° |
| O6 | C18 | O5 | 122.9° | 122.9° |
| C18 | O6 | RU2 | 114.6° | 114.6° |
| O6 | C18 | H7 | 90.4° | 90.4° |
| C18 | O5 | RU1 | 120.1° | 120.1° |
| O5 | C18 | H7 | 90.4° | 90.4° |
| C9 | C8 | N2 | 120.3° | 120.3° |
| C9 | C8 | C13 | 118.1° | 118.1° |
| C8 | C9 | H12 | 120.1° | 120.1° |
| O6 | RU2 | RU1 | 92.5° | 92.5° |
| O6 | RU2 | N2 | 174.3° | 174.3° |
| O5 | RU1 | RU2 | 85.3° | 85.3° |
| O5 | RU1 | N1 | 174.0° | 174.0° |
| RU1 | RU2 | N2 | 88.1° | 88.1° |
| RU2 | RU1 | N1 | 92.0° | 92.0° |
| RU2 | N2 | C8 | 127.3° | 127.3° |
| RU2 | N2 | C1 | 118.6° | 118.6° |
| C6 | C5 | C4 | 123.3° | 123.3° |
| C5 | C6 | C7 | 117.9° | 117.9° |
| C5 | C6 | H9 | 121.0° | 121.0° |
| C6 | C5 | H10 | 118.3° | 118.4° |
| C5 | C4 | C3 | 118.1° | 118.1° |
| C5 | C4 | H5 | 121.0° | 121.0° |
| C4 | C5 | H10 | 118.4° | 118.3° |
| C6 | C7 | C2 | 121.6° | 121.6° |
| C6 | C7 | H6 | 119.2° | 119.2° |
| C7 | C6 | H9 | 121.0° | 121.0° |
| C11 | C12 | C13 | 119.6° | 119.6° |
| C12 | C11 | H1 | 119.7° | 119.7° |
| C11 | C12 | H2 | 120.2° | 120.2° |
| C4 | C3 | C2 | 120.0° | 120.0° |
| C4 | C3 | H4 | 120.0° | 120.0° |
| C3 | C4 | H5 | 120.9° | 120.9° |
| RU1 | N1 | C2 | 117.8° | 117.8° |
| RU1 | N1 | C1 | 115.4° | 115.4° |
| C7 | C2 | C3 | 119.2° | 119.2° |
| C7 | C2 | N1 | 116.2° | 116.2° |
| C2 | C7 | H6 | 119.2° | 119.2° |
| N2 | C8 | C13 | 121.4° | 121.4° |
| C8 | N2 | C1 | 109.3° | 109.3° |
| C8 | C13 | C12 | 121.3° | 121.3° |
| C8 | C13 | H3 | 119.3° | 119.3° |
| C3 | C2 | N1 | 124.6° | 124.6° |
| C2 | C3 | H4 | 120.0° | 120.0° |
| N2 | C1 | N1 | 123.4° | 123.4° |
| N2 | C1 | H8 | 105.9° | 105.9° |
| N2 | C1 | H16 | 105.9° | 105.9° |
| C2 | N1 | C1 | 119.1° | 119.1° |
| N1 | C1 | H8 | 105.9° | 105.9° |
| N1 | C1 | H16 | 105.9° | 105.9° |
| C13 | C12 | H2 | 120.2° | 120.2° |
| C12 | C13 | H3 | 119.4° | 119.4° |
| H8 | C1 | H16 | 109.5° | 109.5° |
| H13 | C19 | H14 | 109.5° | 109.5° |
| H13 | C19 | H15 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | O6 | O5 | 178.7° | 178.7° |
| C19 | C18 | O6 | H7 | 90.6° | 90.6° |
| C19 | C18 | O5 | H7 | 90.6° | 90.6° |
| C19 | C18 | O6 | RU2 | 153.3° | 153.3° |
| C19 | C18 | O5 | RU1 | 154.5° | 154.5° |
| C18 | C19 | H13 | H14 | 120.0° | 120.0° |
| C18 | C19 | H13 | H15 | 120.0° | 120.0° |
| C18 | C19 | H14 | H15 | 120.0° | 120.0° |
| C9 | C10 | C11 | H11 | 180.0° | 180.0° |
| C10 | C9 | C8 | H12 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.8° | 0.8° |
| C10 | C9 | C8 | N2 | 177.0° | 177.0° |
| C10 | C9 | C8 | C13 | 1.6° | 1.6° |
| C9 | C10 | C11 | H1 | 179.2° | 179.2° |
| C11 | C10 | C9 | C8 | 0.1° | 0.1° |
| C10 | C11 | C12 | H1 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.4° | 0.4° |
| C10 | C11 | C12 | H2 | 179.6° | 179.6° |
| C11 | C10 | C9 | H12 | 179.9° | 179.9° |
| O6 | C18 | O5 | H7 | 90.7° | 90.7° |
| O6 | C18 | O5 | RU1 | 24.1° | 24.1° |
| C18 | O6 | RU2 | RU1 | 13.9° | 13.9° |
| C18 | O6 | RU2 | N2 | 110.1° | 110.1° |
| O6 | C18 | C19 | H13 | 180.0° | 180.0° |
| O6 | C18 | C19 | H14 | 60.0° | 60.0° |
| O6 | C18 | C19 | H15 | 60.0° | 60.0° |
| O5 | C18 | O6 | RU2 | 25.4° | 25.4° |
| C18 | O5 | RU1 | RU2 | 9.2° | 9.2° |
| C18 | O5 | RU1 | N1 | 54.2° | 54.2° |
| O5 | C18 | C19 | H13 | 1.3° | 1.3° |
| O5 | C18 | C19 | H14 | 118.7° | 118.7° |
| O5 | C18 | C19 | H15 | 121.3° | 121.3° |
| C9 | C8 | N2 | RU2 | 59.2° | 59.2° |
| C9 | C8 | N2 | C13 | 175.2° | 175.2° |
| C9 | C8 | N2 | C1 | 95.6° | 95.6° |
| C9 | C8 | C13 | C12 | 2.8° | 2.8° |
| C9 | C8 | C13 | H3 | 177.2° | 177.2° |
| C8 | C9 | C10 | H11 | 179.9° | 179.9° |
| O6 | RU2 | RU1 | O5 | 2.1° | 2.1° |
| O6 | RU2 | RU1 | N2 | 174.3° | 174.3° |
| O6 | RU2 | RU1 | N1 | 176.8° | 176.8° |
| O6 | RU2 | N2 | C8 | 95.2° | 95.2° |
| O6 | RU2 | N2 | C1 | 112.1° | 112.1° |
| RU2 | O6 | C18 | H7 | 116.1° | 116.1° |
| O5 | RU1 | RU2 | N1 | 174.6° | 174.6° |
| O5 | RU1 | RU2 | N2 | 176.5° | 176.5° |
| O5 | RU1 | N1 | C2 | 81.7° | 81.7° |
| O5 | RU1 | N1 | C1 | 67.5° | 67.5° |
| RU1 | O5 | C18 | H7 | 114.9° | 114.9° |
| RU1 | RU2 | N2 | C8 | 168.5° | 168.5° |
| RU1 | RU2 | N2 | C1 | 15.7° | 15.7° |
| RU2 | RU1 | N1 | C2 | 144.8° | 144.8° |
| RU2 | RU1 | N1 | C1 | 4.4° | 4.4° |
| N2 | RU2 | RU1 | N1 | 8.9° | 8.9° |
| RU2 | N2 | C8 | C1 | 154.8° | 154.8° |
| RU2 | N2 | C8 | C13 | 125.6° | 125.6° |
| RU2 | N2 | C1 | N1 | 17.2° | 17.2° |
| RU2 | N2 | C1 | H8 | 139.1° | 139.1° |
| RU2 | N2 | C1 | H16 | 104.7° | 104.7° |
| C6 | C5 | C4 | H10 | 180.0° | 180.0° |
| C5 | C6 | C7 | H9 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.1° |
| C5 | C6 | C7 | C2 | 0.1° | 0.1° |
| C6 | C5 | C4 | H5 | 179.9° | 179.9° |
| C5 | C6 | C7 | H6 | 179.9° | 179.9° |
| C4 | C5 | C6 | C7 | 0.1° | 0.1° |
| C5 | C4 | C3 | H5 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.2° |
| C5 | C4 | C3 | H4 | 179.8° | 179.8° |
| C4 | C5 | C6 | H9 | 179.9° | 179.9° |
| C6 | C7 | C2 | H6 | 180.0° | 180.0° |
| C6 | C7 | C2 | C3 | 0.0° | 0.0° |
| C6 | C7 | C2 | N1 | 179.6° | 179.6° |
| C7 | C6 | C5 | H10 | 179.9° | 179.9° |
| C11 | C12 | C13 | C8 | 2.2° | 2.2° |
| C11 | C12 | C13 | H2 | 180.0° | 180.0° |
| C11 | C12 | C13 | H3 | 177.8° | 177.8° |
| C12 | C11 | C10 | H11 | 179.2° | 179.2° |
| C4 | C3 | C2 | C7 | 0.2° | 0.2° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | N1 | 179.7° | 179.7° |
| C3 | C4 | C5 | H10 | 179.9° | 179.9° |
| RU1 | N1 | C2 | C7 | 19.2° | 19.2° |
| RU1 | N1 | C2 | C3 | 161.3° | 161.3° |
| RU1 | N1 | C1 | N2 | 6.9° | 6.9° |
| RU1 | N1 | C2 | C1 | 148.0° | 148.0° |
| RU1 | N1 | C1 | H8 | 128.8° | 128.8° |
| RU1 | N1 | C1 | H16 | 114.9° | 114.9° |
| C7 | C2 | C3 | N1 | 179.5° | 179.5° |
| C7 | C2 | N1 | C1 | 167.3° | 167.3° |
| C7 | C2 | C3 | H4 | 179.8° | 179.8° |
| C2 | C7 | C6 | H9 | 179.9° | 179.9° |
| C8 | N2 | C1 | N1 | 174.5° | 174.5° |
| N2 | C8 | C13 | C12 | 178.1° | 178.1° |
| N2 | C8 | C13 | H3 | 1.9° | 1.9° |
| C8 | N2 | C1 | H8 | 63.6° | 63.6° |
| N2 | C8 | C9 | H12 | 3.0° | 3.0° |
| C8 | N2 | C1 | H16 | 52.6° | 52.6° |
| C13 | C8 | N2 | C1 | 79.6° | 79.6° |
| C8 | C13 | C12 | H3 | 180.0° | 180.0° |
| C8 | C13 | C12 | H2 | 177.8° | 177.8° |
| C13 | C8 | C9 | H12 | 178.4° | 178.4° |
| C3 | C2 | N1 | C1 | 13.2° | 13.2° |
| C2 | C3 | C4 | H5 | 179.8° | 179.8° |
| C3 | C2 | C7 | H6 | 180.0° | 180.0° |
| N2 | C1 | N1 | C2 | 155.7° | 155.7° |
| N2 | C1 | N1 | H8 | 121.9° | 121.9° |
| N2 | C1 | N1 | H16 | 121.9° | 121.9° |
| N2 | C1 | H8 | H16 | 113.7° | 113.7° |
| N1 | C2 | C3 | H4 | 0.3° | 0.3° |
| N1 | C2 | C7 | H6 | 0.4° | 0.4° |
| C2 | N1 | C1 | H8 | 82.4° | 82.4° |
| C2 | N1 | C1 | H16 | 33.8° | 33.8° |
| N1 | C1 | H8 | H16 | 113.7° | 113.7° |
| C13 | C12 | C11 | H1 | 179.7° | 179.7° |
| H1 | C11 | C12 | H2 | 0.4° | 0.4° |
| H1 | C11 | C10 | H11 | 0.8° | 0.8° |
| H2 | C12 | C13 | H3 | 2.2° | 2.2° |
| H4 | C3 | C4 | H5 | 0.2° | 0.2° |
| H5 | C4 | C5 | H10 | 0.1° | 0.1° |
| H6 | C7 | C6 | H9 | 0.1° | 0.1° |
| H7 | C18 | C19 | H13 | 89.4° | 89.4° |
| H7 | C18 | C19 | H14 | 150.6° | 150.6° |
| H7 | C18 | C19 | H15 | 30.6° | 30.6° |
| H9 | C6 | C5 | H10 | 0.1° | 0.1° |
| H11 | C10 | C9 | H12 | 0.1° | 0.1° |
| H13 | C19 | H14 | H15 | 120.0° | 120.0° |
