SZQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | O13 | sing | 1.43Å | 1.39Å | |
| C15 | O12 | sing | 1.43Å | 1.39Å | |
| O12 | C10 | sing | 1.35Å | 1.38Å | |
| O13 | C05 | sing | 1.36Å | 1.40Å | |
| C10 | C08 | sing | 1.42Å | 1.54Å | |
| C10 | O11 | doub | 1.22Å | 1.14Å | |
| C08 | C07 | doub | 1.35Å | 1.32Å | |
| C06 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C01 | sing | 1.40Å | 1.38Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.36Å | Aromatic |
| C07 | C01 | sing | 1.47Å | 1.51Å | |
| C01 | C02 | doub | 1.40Å | 1.38Å | Aromatic |
| C04 | O09 | sing | 1.36Å | 1.36Å | |
| C04 | C03 | doub | 1.39Å | 1.36Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| C07 | H4 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| O09 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | O13 | C05 | 119.0° | 117.0° |
| O13 | C14 | H6 | 109.5° | 109.4° |
| O13 | C14 | H7 | 109.5° | 109.5° |
| O13 | C14 | H8 | 109.5° | 109.5° |
| C15 | O12 | C10 | 121.0° | 117.0° |
| O12 | C15 | H9 | 109.5° | 109.4° |
| O12 | C15 | H10 | 109.5° | 109.5° |
| O12 | C15 | H11 | 109.5° | 109.4° |
| O12 | C10 | C08 | 121.4° | 120.0° |
| O12 | C10 | O11 | 116.5° | 120.1° |
| O13 | C05 | C06 | 125.2° | 120.0° |
| O13 | C05 | C04 | 117.2° | 120.0° |
| C08 | C10 | O11 | 122.0° | 120.0° |
| C10 | C08 | C07 | 122.2° | 120.0° |
| C10 | C08 | H5 | 118.9° | 120.1° |
| C08 | C07 | C01 | 119.8° | 120.0° |
| C08 | C07 | H4 | 120.1° | 120.0° |
| C07 | C08 | H5 | 118.9° | 120.0° |
| C05 | C06 | C01 | 122.3° | 119.8° |
| C06 | C05 | C04 | 117.6° | 120.0° |
| C05 | C06 | H3 | 118.8° | 120.0° |
| C06 | C01 | C07 | 119.7° | 120.1° |
| C06 | C01 | C02 | 118.7° | 119.8° |
| C01 | C06 | H3 | 118.9° | 120.1° |
| C05 | C04 | O09 | 116.5° | 119.9° |
| C05 | C04 | C03 | 121.3° | 120.2° |
| C07 | C01 | C02 | 121.6° | 120.1° |
| C01 | C07 | H4 | 120.1° | 120.0° |
| C01 | C02 | C03 | 119.2° | 120.0° |
| C01 | C02 | H1 | 120.4° | 120.0° |
| O09 | C04 | C03 | 122.2° | 119.9° |
| C04 | O09 | H12 | 109.5° | 114.0° |
| C04 | C03 | C02 | 120.9° | 120.2° |
| C04 | C03 | H2 | 119.6° | 119.9° |
| C03 | C02 | H1 | 120.4° | 120.0° |
| C02 | C03 | H2 | 119.5° | 119.9° |
| H6 | C14 | H7 | 109.5° | 109.5° |
| H6 | C14 | H8 | 109.5° | 109.5° |
| H7 | C14 | H8 | 109.5° | 109.5° |
| H9 | C15 | H10 | 109.5° | 109.5° |
| H9 | C15 | H11 | 109.4° | 109.5° |
| H10 | C15 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | O13 | C05 | C06 | 22.4° | 0.0° |
| C14 | O13 | C05 | C04 | 158.0° | 180.0° |
| O13 | C14 | H6 | H7 | 120.0° | 120.0° |
| O13 | C14 | H6 | H8 | 120.0° | 120.0° |
| O13 | C14 | H7 | H8 | 120.0° | 120.0° |
| C15 | O12 | C10 | C08 | 169.7° | 180.0° |
| C15 | O12 | C10 | O11 | 8.6° | 0.0° |
| O12 | C15 | H9 | H10 | 120.0° | 120.0° |
| O12 | C15 | H9 | H11 | 120.0° | 119.9° |
| O12 | C15 | H10 | H11 | 120.0° | 120.0° |
| O12 | C10 | C08 | O11 | 178.2° | 180.0° |
| O12 | C10 | C08 | C07 | 175.9° | 180.0° |
| O12 | C10 | C08 | H5 | 4.1° | 0.0° |
| C10 | O12 | C15 | H9 | 180.0° | 60.0° |
| C10 | O12 | C15 | H10 | 60.0° | 60.0° |
| C10 | O12 | C15 | H11 | 60.0° | 179.9° |
| O13 | C05 | C06 | C04 | 179.6° | 180.0° |
| O13 | C05 | C06 | C01 | 179.3° | 179.9° |
| O13 | C05 | C04 | O09 | 0.5° | 0.0° |
| O13 | C05 | C04 | C03 | 179.0° | 180.0° |
| O13 | C05 | C06 | H3 | 0.7° | 0.0° |
| C05 | O13 | C14 | H6 | 180.0° | 180.0° |
| C05 | O13 | C14 | H7 | 60.0° | 60.0° |
| C05 | O13 | C14 | H8 | 60.0° | 60.0° |
| C10 | C08 | C07 | H5 | 180.0° | 179.9° |
| C10 | C08 | C07 | C01 | 179.1° | 180.0° |
| C10 | C08 | C07 | H4 | 0.9° | 0.1° |
| O11 | C10 | C08 | C07 | 5.9° | 0.1° |
| O11 | C10 | C08 | H5 | 174.1° | 180.0° |
| C08 | C07 | C01 | C06 | 24.1° | 179.7° |
| C08 | C07 | C01 | H4 | 180.0° | 179.9° |
| C08 | C07 | C01 | C02 | 155.0° | 0.1° |
| C05 | C06 | C01 | H3 | 180.0° | 179.9° |
| C05 | C06 | C01 | C07 | 178.1° | 179.7° |
| C05 | C06 | C01 | C02 | 1.1° | 0.1° |
| C06 | C05 | C04 | O09 | 179.8° | 180.0° |
| C06 | C05 | C04 | C03 | 1.4° | 0.0° |
| C01 | C06 | C05 | C04 | 1.1° | 0.0° |
| C06 | C01 | C07 | C02 | 179.2° | 179.6° |
| C06 | C01 | C02 | C03 | 1.4° | 0.1° |
| C06 | C01 | C02 | H1 | 178.6° | 180.0° |
| C06 | C01 | C07 | H4 | 155.9° | 0.4° |
| C05 | C04 | O09 | C03 | 178.4° | 180.0° |
| C05 | C04 | C03 | C02 | 1.8° | 0.0° |
| C05 | C04 | C03 | H2 | 178.2° | 180.0° |
| C04 | C05 | C06 | H3 | 178.9° | 180.0° |
| C05 | C04 | O09 | H12 | 180.0° | 90.0° |
| C07 | C01 | C02 | C03 | 177.8° | 179.7° |
| C07 | C01 | C02 | H1 | 2.2° | 0.4° |
| C07 | C01 | C06 | H3 | 1.9° | 0.4° |
| C01 | C07 | C08 | H5 | 0.9° | 0.1° |
| C01 | C02 | C03 | C04 | 1.7° | 0.1° |
| C01 | C02 | C03 | H1 | 180.0° | 179.9° |
| C01 | C02 | C03 | H2 | 178.2° | 179.9° |
| C02 | C01 | C06 | H3 | 178.9° | 180.0° |
| C02 | C01 | C07 | H4 | 25.0° | 180.0° |
| O09 | C04 | C03 | C02 | 179.9° | 180.0° |
| O09 | C04 | C03 | H2 | 0.1° | 0.0° |
| C04 | C03 | C02 | H2 | 180.0° | 180.0° |
| C04 | C03 | C02 | H1 | 178.3° | 179.9° |
| C03 | C04 | O09 | H12 | 1.6° | 90.0° |
| H1 | C02 | C03 | H2 | 1.8° | 0.0° |
| H4 | C07 | C08 | H5 | 179.1° | 180.0° |
| H6 | C14 | H7 | H8 | 120.0° | 120.0° |
| H9 | C15 | H10 | H11 | 120.0° | 120.1° |
