5R0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C04 | C02 | sing | 1.53Å | 1.52Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C02 | C05 | sing | 1.51Å | 1.55Å | |
| C05 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | C08 | doub | 1.40Å | 1.40Å | Aromatic |
| C07 | C08 | sing | 1.40Å | 1.38Å | Aromatic |
| C08 | C1 | sing | 1.48Å | 1.50Å | |
| C1 | O12 | doub | 1.22Å | 1.25Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | 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 | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.08Å | 1.08Å | |
| C07 | H13 | sing | 1.08Å | 1.08Å | |
| C09 | H14 | sing | 1.08Å | 1.08Å | |
| C1 | O2 | sing | 1.35Å | 53.65Å | |
| O2 | H2 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C04 | 109.5° | 109.5° |
| C01 | C02 | C03 | 108.3° | 109.5° |
| C01 | C02 | C05 | 110.0° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.4° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C04 | C02 | C03 | 106.7° | 109.5° |
| C04 | C02 | C05 | 111.8° | 109.5° |
| C02 | C04 | H9 | 109.5° | 109.4° |
| C02 | C04 | H10 | 109.5° | 109.4° |
| C02 | C04 | H11 | 109.5° | 109.5° |
| C03 | C02 | C05 | 110.5° | 109.4° |
| C02 | C03 | H6 | 109.5° | 109.4° |
| C02 | C03 | H7 | 109.5° | 109.5° |
| C02 | C03 | H8 | 109.5° | 109.5° |
| C02 | C05 | C10 | 120.6° | 119.8° |
| C02 | C05 | C06 | 121.5° | 119.9° |
| C10 | C05 | C06 | 117.8° | 120.3° |
| C05 | C10 | C09 | 121.1° | 120.1° |
| C05 | C10 | H1 | 119.4° | 119.9° |
| C05 | C06 | C07 | 121.5° | 120.2° |
| C05 | C06 | H12 | 119.3° | 119.9° |
| C10 | C09 | C08 | 120.7° | 119.9° |
| C09 | C10 | H1 | 119.5° | 120.0° |
| C10 | C09 | H14 | 119.7° | 120.1° |
| C06 | C07 | C08 | 120.8° | 119.9° |
| C07 | C06 | H12 | 119.2° | 119.9° |
| C06 | C07 | H13 | 119.6° | 120.0° |
| C09 | C08 | C07 | 118.1° | 119.7° |
| C09 | C08 | C1 | 121.3° | 120.2° |
| C08 | C09 | H14 | 119.7° | 120.0° |
| C07 | C08 | C1 | 120.5° | 120.2° |
| C08 | C07 | H13 | 119.6° | 120.1° |
| C08 | C1 | O12 | 118.0° | 120.0° |
| C08 | C1 | O2 | 114.7° | 120.0° |
| O12 | C1 | O2 | 123.6° | 120.0° |
| H3 | C01 | H4 | 109.4° | 109.5° |
| H3 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H6 | C03 | H7 | 109.5° | 109.4° |
| H6 | C03 | H8 | 109.5° | 109.4° |
| H7 | C03 | H8 | 109.4° | 109.5° |
| H9 | C04 | H10 | 109.5° | 109.5° |
| H9 | C04 | H11 | 109.4° | 109.5° |
| H10 | C04 | H11 | 109.5° | 109.4° |
| C1 | O2 | H2 | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C04 | C03 | 117.0° | 120.0° |
| C01 | C02 | C04 | C05 | 122.1° | 120.0° |
| C01 | C02 | C03 | C05 | 120.5° | 120.0° |
| C01 | C02 | C05 | C10 | 51.2° | 60.0° |
| C01 | C02 | C05 | C06 | 131.9° | 120.0° |
| C02 | C01 | H3 | H4 | 120.0° | 119.9° |
| C02 | C01 | H3 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C01 | C02 | C03 | H6 | 180.0° | 60.0° |
| C01 | C02 | C03 | H7 | 60.0° | 179.9° |
| C01 | C02 | C03 | H8 | 60.0° | 60.0° |
| C01 | C02 | C04 | H9 | 180.0° | 60.0° |
| C01 | C02 | C04 | H10 | 60.0° | 180.0° |
| C01 | C02 | C04 | H11 | 60.0° | 60.0° |
| C04 | C02 | C03 | C05 | 121.7° | 120.0° |
| C04 | C02 | C05 | C10 | 173.1° | 180.0° |
| C04 | C02 | C05 | C06 | 10.1° | 0.0° |
| C04 | C02 | C01 | H3 | 180.0° | 180.0° |
| C04 | C02 | C01 | H4 | 60.0° | 60.0° |
| C04 | C02 | C01 | H5 | 60.0° | 60.0° |
| C04 | C02 | C03 | H6 | 62.2° | 60.0° |
| C04 | C02 | C03 | H7 | 57.8° | 59.9° |
| C04 | C02 | C03 | H8 | 177.8° | 180.0° |
| C02 | C04 | H9 | H10 | 120.0° | 119.9° |
| C02 | C04 | H9 | H11 | 120.0° | 120.0° |
| C02 | C04 | H10 | H11 | 120.0° | 120.0° |
| C03 | C02 | C05 | C10 | 68.3° | 60.0° |
| C03 | C02 | C05 | C06 | 108.6° | 120.0° |
| C03 | C02 | C01 | H3 | 64.0° | 60.0° |
| C03 | C02 | C01 | H4 | 56.0° | 180.0° |
| C03 | C02 | C01 | H5 | 176.0° | 60.0° |
| C02 | C03 | H6 | H7 | 120.0° | 120.0° |
| C02 | C03 | H6 | H8 | 120.0° | 120.0° |
| C02 | C03 | H7 | H8 | 120.0° | 120.1° |
| C03 | C02 | C04 | H9 | 63.0° | 180.0° |
| C03 | C02 | C04 | H10 | 177.0° | 60.0° |
| C03 | C02 | C04 | H11 | 57.0° | 60.0° |
| C02 | C05 | C10 | C06 | 177.0° | 180.0° |
| C02 | C05 | C10 | C09 | 179.9° | 180.0° |
| C02 | C05 | C06 | C07 | 179.3° | 180.0° |
| C02 | C05 | C10 | H1 | 0.1° | 0.2° |
| C05 | C02 | C01 | H3 | 56.8° | 60.0° |
| C05 | C02 | C01 | H4 | 176.8° | 60.0° |
| C05 | C02 | C01 | H5 | 63.2° | 180.0° |
| C05 | C02 | C03 | H6 | 59.5° | 180.0° |
| C05 | C02 | C03 | H7 | 179.5° | 60.0° |
| C05 | C02 | C03 | H8 | 60.5° | 60.1° |
| C05 | C02 | C04 | H9 | 57.9° | 60.0° |
| C05 | C02 | C04 | H10 | 62.1° | 60.0° |
| C05 | C02 | C04 | H11 | 177.9° | 179.9° |
| C02 | C05 | C06 | H12 | 0.7° | 0.0° |
| C05 | C10 | C09 | H1 | 180.0° | 179.8° |
| C10 | C05 | C06 | C07 | 2.4° | 0.1° |
| C05 | C10 | C09 | C08 | 3.2° | 0.0° |
| C10 | C05 | C06 | H12 | 177.6° | 180.0° |
| C05 | C10 | C09 | H14 | 176.8° | 179.7° |
| C06 | C05 | C10 | C09 | 2.9° | 0.0° |
| C05 | C06 | C07 | H12 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 2.0° | 0.1° |
| C06 | C05 | C10 | H1 | 177.1° | 179.7° |
| C05 | C06 | C07 | H13 | 178.0° | 180.0° |
| C10 | C09 | C08 | H14 | 180.0° | 179.7° |
| C10 | C09 | C08 | C07 | 2.7° | 0.0° |
| C10 | C09 | C08 | C1 | 179.0° | 180.0° |
| C06 | C07 | C08 | C09 | 2.1° | 0.0° |
| C06 | C07 | C08 | H13 | 180.0° | 180.0° |
| C06 | C07 | C08 | C1 | 178.5° | 180.0° |
| C09 | C08 | C07 | C1 | 176.4° | 180.0° |
| C09 | C08 | C1 | O12 | 153.9° | 180.0° |
| C08 | C09 | C10 | H1 | 176.8° | 179.8° |
| C09 | C08 | C07 | H13 | 177.9° | 180.0° |
| C09 | C08 | C1 | O2 | 47.0° | 0.0° |
| C07 | C08 | C1 | O12 | 29.9° | 0.0° |
| C08 | C07 | C06 | H12 | 178.0° | 180.0° |
| C07 | C08 | C09 | H14 | 177.3° | 179.7° |
| C07 | C08 | C1 | O2 | 129.3° | 180.0° |
| C08 | C1 | O12 | O2 | 157.2° | 180.0° |
| C1 | C08 | C07 | H13 | 1.5° | 0.0° |
| C1 | C08 | C09 | H14 | 1.0° | 0.3° |
| C08 | C1 | O2 | H2 | 90.0° | 180.0° |
| O12 | C1 | O2 | H2 | 90.0° | 0.0° |
| H1 | C10 | C09 | H14 | 3.2° | 0.1° |
| H3 | C01 | H4 | H5 | 120.0° | 120.0° |
| H6 | C03 | H7 | H8 | 120.0° | 120.0° |
| H9 | C04 | H10 | H11 | 119.9° | 120.1° |
| H12 | C06 | C07 | H13 | 2.0° | 0.0° |
