QZP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C11 | doub | 1.21Å | 1.27Å | |
| C11 | O13 | sing | 1.35Å | 1.27Å | |
| C11 | C08 | sing | 1.48Å | 1.52Å | |
| C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | doub | 1.40Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.54Å | |
| C05 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.08Å | 1.08Å | |
| C07 | H12 | sing | 1.08Å | 1.08Å | |
| C09 | H13 | sing | 1.08Å | 1.08Å | |
| O13 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C11 | O13 | 122.2° | 120.0° |
| O12 | C11 | C08 | 117.7° | 120.0° |
| O13 | C11 | C08 | 120.0° | 120.0° |
| C11 | O13 | H14 | 109.5° | 117.0° |
| C11 | C08 | C09 | 117.4° | 120.2° |
| C11 | C08 | C07 | 121.2° | 120.1° |
| C10 | C09 | C08 | 119.6° | 119.8° |
| C09 | C10 | C05 | 119.6° | 120.1° |
| C09 | C10 | H1 | 120.2° | 119.9° |
| C10 | C09 | H13 | 120.2° | 120.1° |
| C09 | C08 | C07 | 121.3° | 119.7° |
| C08 | C09 | H13 | 120.2° | 120.1° |
| C10 | C05 | C04 | 118.1° | 119.8° |
| C10 | C05 | C06 | 120.4° | 120.3° |
| C05 | C10 | H1 | 120.2° | 120.0° |
| C08 | C07 | C06 | 118.8° | 119.8° |
| C08 | C07 | H12 | 120.6° | 120.1° |
| C04 | C05 | C06 | 121.5° | 119.9° |
| C05 | C04 | C02 | 112.6° | 109.5° |
| C05 | C04 | H9 | 108.7° | 109.5° |
| C05 | C04 | H10 | 108.7° | 109.5° |
| C05 | C06 | C07 | 120.2° | 120.2° |
| C05 | C06 | H11 | 119.9° | 120.0° |
| C07 | C06 | H11 | 119.9° | 119.9° |
| C06 | C07 | H12 | 120.6° | 120.1° |
| C04 | C02 | C03 | 109.7° | 109.5° |
| C04 | C02 | C01 | 113.3° | 109.5° |
| C04 | C02 | H5 | 108.6° | 109.5° |
| C02 | C04 | H9 | 108.7° | 109.5° |
| C02 | C04 | H10 | 108.7° | 109.5° |
| C03 | C02 | C01 | 108.0° | 109.5° |
| C03 | C02 | H5 | 108.7° | 109.4° |
| C02 | C03 | H6 | 109.5° | 109.4° |
| C02 | C03 | H7 | 109.5° | 109.5° |
| C02 | C03 | H8 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.4° |
| C01 | C02 | H5 | 108.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H4 | 109.4° | 109.5° |
| H3 | C01 | H4 | 109.5° | 109.4° |
| H6 | C03 | H7 | 109.5° | 109.5° |
| H6 | C03 | H8 | 109.4° | 109.5° |
| H7 | C03 | H8 | 109.5° | 109.5° |
| H9 | C04 | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C11 | O13 | C08 | 179.8° | 179.9° |
| O12 | C11 | C08 | C09 | 10.0° | 179.8° |
| O12 | C11 | C08 | C07 | 168.5° | 0.0° |
| O12 | C11 | O13 | H14 | 0.0° | 0.0° |
| O13 | C11 | C08 | C09 | 170.3° | 0.2° |
| O13 | C11 | C08 | C07 | 11.2° | 180.0° |
| C11 | C08 | C09 | C10 | 178.6° | 179.7° |
| C11 | C08 | C09 | C07 | 178.5° | 179.8° |
| C11 | C08 | C07 | C06 | 178.9° | 180.0° |
| C11 | C08 | C07 | H12 | 1.1° | 0.1° |
| C11 | C08 | C09 | H13 | 1.4° | 0.2° |
| C08 | C11 | O13 | H14 | 179.8° | 180.0° |
| C10 | C09 | C08 | H13 | 180.0° | 179.5° |
| C09 | C10 | C05 | H1 | 180.0° | 179.7° |
| C10 | C09 | C08 | C07 | 0.1° | 0.5° |
| C09 | C10 | C05 | C04 | 179.0° | 179.7° |
| C09 | C10 | C05 | C06 | 0.5° | 0.3° |
| C08 | C09 | C10 | C05 | 0.4° | 0.5° |
| C09 | C08 | C07 | C06 | 0.5° | 0.2° |
| C08 | C09 | C10 | H1 | 179.6° | 179.7° |
| C09 | C08 | C07 | H12 | 179.5° | 179.7° |
| C10 | C05 | C04 | C06 | 179.5° | 180.0° |
| C10 | C05 | C06 | C07 | 0.2° | 0.0° |
| C10 | C05 | C04 | C02 | 72.5° | 90.0° |
| C10 | C05 | C04 | H9 | 48.0° | 30.0° |
| C10 | C05 | C04 | H10 | 167.1° | 150.0° |
| C10 | C05 | C06 | H11 | 179.8° | 180.0° |
| C05 | C10 | C09 | H13 | 179.6° | 180.0° |
| C08 | C07 | C06 | C05 | 0.3° | 0.0° |
| C08 | C07 | C06 | H12 | 180.0° | 180.0° |
| C08 | C07 | C06 | H11 | 179.7° | 180.0° |
| C07 | C08 | C09 | H13 | 179.9° | 180.0° |
| C04 | C05 | C06 | C07 | 179.4° | 180.0° |
| C05 | C04 | C02 | H9 | 120.5° | 120.1° |
| C05 | C04 | C02 | H10 | 120.5° | 120.0° |
| C05 | C04 | C02 | C03 | 176.0° | 175.0° |
| C05 | C04 | C02 | C01 | 63.2° | 64.9° |
| C04 | C05 | C10 | H1 | 1.0° | 0.0° |
| C05 | C04 | C02 | H5 | 57.4° | 55.0° |
| C05 | C04 | H9 | H10 | 118.6° | 120.0° |
| C04 | C05 | C06 | H11 | 0.6° | 0.0° |
| C05 | C06 | C07 | H11 | 180.0° | 180.0° |
| C06 | C05 | C04 | C02 | 108.0° | 90.0° |
| C06 | C05 | C10 | H1 | 179.5° | 180.0° |
| C06 | C05 | C04 | H9 | 131.5° | 150.0° |
| C06 | C05 | C04 | H10 | 12.5° | 30.0° |
| C05 | C06 | C07 | H12 | 179.7° | 180.0° |
| C04 | C02 | C03 | C01 | 123.9° | 120.0° |
| C04 | C02 | C03 | H5 | 118.7° | 120.0° |
| C04 | C02 | C01 | H5 | 120.6° | 120.0° |
| C04 | C02 | C01 | H2 | 180.0° | 60.0° |
| C04 | C02 | C01 | H3 | 60.0° | 60.1° |
| C04 | C02 | C01 | H4 | 60.0° | 180.0° |
| C04 | C02 | C03 | H6 | 180.0° | 60.0° |
| C04 | C02 | C03 | H7 | 60.0° | 59.9° |
| C04 | C02 | C03 | H8 | 60.0° | 180.0° |
| C02 | C04 | H9 | H10 | 118.6° | 120.0° |
| C03 | C02 | C01 | H5 | 117.6° | 120.0° |
| C03 | C02 | C01 | H2 | 58.2° | 180.0° |
| C03 | C02 | C01 | H3 | 61.8° | 60.0° |
| C03 | C02 | C01 | H4 | 178.2° | 59.9° |
| C02 | C03 | H6 | H7 | 120.0° | 120.0° |
| C02 | C03 | H6 | H8 | 120.0° | 120.0° |
| C02 | C03 | H7 | H8 | 120.0° | 120.0° |
| C03 | C02 | C04 | H9 | 55.5° | 54.9° |
| C03 | C02 | C04 | H10 | 63.5° | 65.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H4 | 120.0° | 119.9° |
| C01 | C02 | C03 | H6 | 56.0° | 60.0° |
| C01 | C02 | C03 | H7 | 176.1° | 180.0° |
| C01 | C02 | C03 | H8 | 63.9° | 60.0° |
| C01 | C02 | C04 | H9 | 176.4° | 175.0° |
| C01 | C02 | C04 | H10 | 57.3° | 55.1° |
| H1 | C10 | C09 | H13 | 0.4° | 0.2° |
| H2 | C01 | H3 | H4 | 119.9° | 120.0° |
| H2 | C01 | C02 | H5 | 59.3° | 60.0° |
| H3 | C01 | C02 | H5 | 179.3° | 179.9° |
| H4 | C01 | C02 | H5 | 60.6° | 60.0° |
| H5 | C02 | C03 | H6 | 61.4° | 180.0° |
| H5 | C02 | C03 | H7 | 58.7° | 60.0° |
| H5 | C02 | C03 | H8 | 178.7° | 60.0° |
| H5 | C02 | C04 | H9 | 63.1° | 65.0° |
| H5 | C02 | C04 | H10 | 177.8° | 175.0° |
| H6 | C03 | H7 | H8 | 120.0° | 120.0° |
| H11 | C06 | C07 | H12 | 0.3° | 0.0° |
