JPG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| O03 | C02 | doub | 1.21Å | 1.17Å | |
| C02 | C04 | sing | 1.47Å | 1.52Å | |
| C05 | C04 | doub | 1.40Å | 1.34Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.31Å | Aromatic |
| C04 | C09 | sing | 1.40Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.32Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.31Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.32Å | Aromatic |
| C06 | C07 | doub | 1.39Å | 1.34Å | Aromatic |
| C09 | O10 | sing | 1.36Å | 1.28Å | |
| C09 | C08 | doub | 1.39Å | 1.34Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.31Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.28Å | Aromatic |
| C11 | O10 | sing | 1.36Å | 1.25Å | |
| C11 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.25Å | Aromatic |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | O03 | 121.7° | 120.0° |
| C01 | C02 | C04 | 117.3° | 120.0° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| O03 | C02 | C04 | 121.0° | 120.1° |
| C02 | C04 | C05 | 116.8° | 120.2° |
| C02 | C04 | C09 | 126.5° | 120.2° |
| C04 | C05 | C06 | 121.9° | 119.9° |
| C05 | C04 | C09 | 116.6° | 119.6° |
| C04 | C05 | H051 | 119.1° | 120.1° |
| C05 | C06 | C07 | 120.4° | 120.3° |
| C06 | C05 | H051 | 119.0° | 120.1° |
| C05 | C06 | H061 | 119.8° | 119.9° |
| C04 | C09 | O10 | 121.9° | 120.2° |
| C04 | C09 | C08 | 119.4° | 119.6° |
| C12 | C13 | C14 | 120.5° | 120.1° |
| C13 | C12 | C11 | 119.3° | 119.9° |
| C12 | C13 | H131 | 119.7° | 120.0° |
| C13 | C12 | H121 | 120.3° | 120.0° |
| C13 | C14 | C15 | 119.6° | 120.1° |
| C14 | C13 | H131 | 119.8° | 120.0° |
| C13 | C14 | H141 | 120.2° | 119.9° |
| C12 | C11 | O10 | 122.2° | 120.1° |
| C12 | C11 | C16 | 118.4° | 119.8° |
| C11 | C12 | H121 | 120.4° | 120.0° |
| C06 | C07 | C08 | 119.9° | 120.5° |
| C07 | C06 | H061 | 119.8° | 119.8° |
| C06 | C07 | H071 | 120.1° | 119.8° |
| O10 | C09 | C08 | 118.4° | 120.2° |
| C09 | O10 | C11 | 122.6° | 118.0° |
| C09 | C08 | C07 | 121.7° | 120.1° |
| C09 | C08 | H081 | 119.1° | 120.0° |
| C14 | C15 | C16 | 122.0° | 120.0° |
| C14 | C15 | H151 | 119.0° | 119.9° |
| C15 | C14 | H141 | 120.2° | 120.0° |
| C08 | C07 | H071 | 120.1° | 119.7° |
| C07 | C08 | H081 | 119.2° | 119.9° |
| O10 | C11 | C16 | 119.4° | 120.1° |
| C11 | C16 | C15 | 120.0° | 120.0° |
| C11 | C16 | H161 | 120.0° | 120.0° |
| C16 | C15 | H151 | 119.0° | 120.0° |
| C15 | C16 | H161 | 120.0° | 120.0° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | O03 | C04 | 178.9° | 180.0° |
| C01 | C02 | C04 | C05 | 152.6° | 0.3° |
| C01 | C02 | C04 | C09 | 27.2° | 180.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 119.9° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| O03 | C02 | C04 | C05 | 26.3° | 179.7° |
| O03 | C02 | C04 | C09 | 153.9° | 0.0° |
| O03 | C02 | C01 | H011 | 0.0° | 180.0° |
| O03 | C02 | C01 | H012 | 120.0° | 59.9° |
| O03 | C02 | C01 | H013 | 120.0° | 60.0° |
| C02 | C04 | C05 | C09 | 179.8° | 179.7° |
| C02 | C04 | C05 | C06 | 179.7° | 180.0° |
| C02 | C04 | C09 | O10 | 3.4° | 0.0° |
| C02 | C04 | C09 | C08 | 177.6° | 179.7° |
| C04 | C02 | C01 | H011 | 178.9° | 0.0° |
| C04 | C02 | C01 | H012 | 58.9° | 120.0° |
| C04 | C02 | C01 | H013 | 61.1° | 120.0° |
| C02 | C04 | C05 | H051 | 0.2° | 0.0° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 1.4° | 0.0° |
| C05 | C04 | C09 | O10 | 176.9° | 179.7° |
| C05 | C04 | C09 | C08 | 2.7° | 0.6° |
| C04 | C05 | C06 | H061 | 178.6° | 180.0° |
| C06 | C05 | C04 | C09 | 0.1° | 0.3° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 0.0° | 0.0° |
| C05 | C06 | C07 | H071 | 180.0° | 180.0° |
| C04 | C09 | O10 | C08 | 174.2° | 179.7° |
| C04 | C09 | C08 | C07 | 4.2° | 0.6° |
| C04 | C09 | O10 | C11 | 141.7° | 179.8° |
| C09 | C04 | C05 | H051 | 180.0° | 179.7° |
| C04 | C09 | C08 | H081 | 175.8° | 179.7° |
| C12 | C13 | C14 | H131 | 180.0° | 179.7° |
| C13 | C12 | C11 | H121 | 180.0° | 179.8° |
| C12 | C13 | C14 | C15 | 1.6° | 0.0° |
| C13 | C12 | C11 | O10 | 175.6° | 180.0° |
| C13 | C12 | C11 | C16 | 1.9° | 0.1° |
| C12 | C13 | C14 | H141 | 178.3° | 179.9° |
| C14 | C13 | C12 | C11 | 3.6° | 0.1° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 2.3° | 0.0° |
| C13 | C14 | C15 | H151 | 177.8° | 180.0° |
| C14 | C13 | C12 | H121 | 176.4° | 179.9° |
| C12 | C11 | O10 | C09 | 27.5° | 90.2° |
| C12 | C11 | O10 | C16 | 177.5° | 179.9° |
| C12 | C11 | C16 | C15 | 1.9° | 0.0° |
| C11 | C12 | C13 | H131 | 176.4° | 179.8° |
| C12 | C11 | C16 | H161 | 178.1° | 179.9° |
| C06 | C07 | C08 | C09 | 2.8° | 0.3° |
| C06 | C07 | C08 | H071 | 180.0° | 180.0° |
| C07 | C06 | C05 | H051 | 178.6° | 180.0° |
| C06 | C07 | C08 | H081 | 177.2° | 180.0° |
| O10 | C09 | C08 | C07 | 178.6° | 179.7° |
| C09 | O10 | C11 | C16 | 155.0° | 89.9° |
| O10 | C09 | C08 | H081 | 1.4° | 0.0° |
| C09 | C08 | C07 | H081 | 180.0° | 179.8° |
| C08 | C09 | O10 | C11 | 44.1° | 0.5° |
| C09 | C08 | C07 | H071 | 177.2° | 179.7° |
| C14 | C15 | C16 | C11 | 4.0° | 0.0° |
| C14 | C15 | C16 | H151 | 180.0° | 180.0° |
| C15 | C14 | C13 | H131 | 178.3° | 179.7° |
| C14 | C15 | C16 | H161 | 176.0° | 179.9° |
| C08 | C07 | C06 | H061 | 180.0° | 180.0° |
| O10 | C11 | C16 | C15 | 179.4° | 180.0° |
| O10 | C11 | C12 | H121 | 4.4° | 0.1° |
| O10 | C11 | C16 | H161 | 0.6° | 0.0° |
| C11 | C16 | C15 | H161 | 180.0° | 179.9° |
| C11 | C16 | C15 | H151 | 176.0° | 180.0° |
| C16 | C11 | C12 | H121 | 178.1° | 179.9° |
| C16 | C15 | C14 | H141 | 177.7° | 180.0° |
| H131 | C13 | C12 | H121 | 3.6° | 0.4° |
| H131 | C13 | C14 | H141 | 1.7° | 0.2° |
| H151 | C15 | C14 | H141 | 2.2° | 0.0° |
| H151 | C15 | C16 | H161 | 4.0° | 0.0° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H051 | C05 | C06 | H061 | 1.4° | 0.0° |
| H061 | C06 | C07 | H071 | 0.0° | 0.0° |
| H071 | C07 | C08 | H081 | 2.8° | 0.0° |
