UAS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.42Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.43Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C02 | sing | 1.47Å | 1.55Å | |
| C11 | C06 | doub | 1.41Å | 1.39Å | Aromatic |
| O01 | C02 | doub | 1.21Å | 1.18Å | |
| C07 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.51Å | 1.50Å | |
| C06 | C04 | sing | 1.47Å | 1.55Å | |
| C03 | C04 | sing | 1.51Å | 1.51Å | |
| C03 | C12 | sing | 1.51Å | 1.54Å | |
| C04 | O05 | doub | 1.21Å | 1.19Å | |
| C17 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | 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) |
| C10 | C09 | C08 | 120.0° | 120.4° |
| C09 | C10 | C11 | 118.9° | 120.1° |
| C09 | C10 | H101 | 120.5° | 120.0° |
| C10 | C09 | H091 | 120.0° | 119.8° |
| C09 | C08 | C07 | 120.2° | 120.4° |
| C09 | C08 | H081 | 119.9° | 119.8° |
| C08 | C09 | H091 | 120.0° | 119.8° |
| C10 | C11 | C02 | 131.5° | 130.7° |
| C10 | C11 | C06 | 120.1° | 119.5° |
| C11 | C10 | H101 | 120.6° | 119.9° |
| C08 | C07 | C06 | 119.6° | 120.1° |
| C08 | C07 | H071 | 120.2° | 120.0° |
| C07 | C08 | H081 | 119.9° | 119.8° |
| C02 | C11 | C06 | 108.4° | 109.8° |
| C11 | C02 | O01 | 126.8° | 126.3° |
| C11 | C02 | C03 | 104.7° | 107.3° |
| C11 | C06 | C07 | 121.2° | 119.4° |
| C11 | C06 | C04 | 107.0° | 109.8° |
| O01 | C02 | C03 | 128.5° | 126.4° |
| C07 | C06 | C04 | 131.9° | 130.7° |
| C06 | C07 | H071 | 120.2° | 119.9° |
| C02 | C03 | C04 | 101.4° | 105.7° |
| C02 | C03 | C12 | 115.7° | 110.2° |
| C02 | C03 | H031 | 105.8° | 110.2° |
| C06 | C04 | C03 | 104.9° | 107.3° |
| C06 | C04 | O05 | 126.5° | 126.4° |
| C04 | C03 | C12 | 121.6° | 110.2° |
| C03 | C04 | O05 | 128.6° | 126.3° |
| C04 | C03 | H031 | 105.7° | 110.2° |
| C03 | C12 | C17 | 120.2° | 120.1° |
| C03 | C12 | C13 | 120.2° | 120.0° |
| C12 | C03 | H031 | 105.4° | 110.2° |
| C12 | C17 | C16 | 120.5° | 120.1° |
| C17 | C12 | C13 | 119.6° | 120.0° |
| C12 | C17 | H171 | 119.8° | 120.0° |
| C17 | C16 | C15 | 119.6° | 120.0° |
| C16 | C17 | H171 | 119.7° | 120.0° |
| C17 | C16 | H161 | 120.2° | 120.1° |
| C12 | C13 | C14 | 120.0° | 120.0° |
| C12 | C13 | H131 | 120.0° | 120.0° |
| C16 | C15 | C14 | 120.1° | 120.0° |
| C16 | C15 | H151 | 120.0° | 120.0° |
| C15 | C16 | H161 | 120.2° | 120.0° |
| C13 | C14 | C15 | 120.2° | 120.0° |
| C14 | C13 | H131 | 120.0° | 120.0° |
| C13 | C14 | H141 | 119.9° | 120.0° |
| C14 | C15 | H151 | 120.0° | 119.9° |
| C15 | C14 | H141 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C09 | C08 | H091 | 180.0° | 180.0° |
| C09 | C10 | C11 | H101 | 180.0° | 179.7° |
| C10 | C09 | C08 | C07 | 0.2° | 0.6° |
| C09 | C10 | C11 | C02 | 179.2° | 179.8° |
| C09 | C10 | C11 | C06 | 0.0° | 0.3° |
| C10 | C09 | C08 | H081 | 179.8° | 179.7° |
| C08 | C09 | C10 | C11 | 0.1° | 0.0° |
| C09 | C08 | C07 | H081 | 180.0° | 179.1° |
| C09 | C08 | C07 | C06 | 0.2° | 0.8° |
| C08 | C09 | C10 | H101 | 179.9° | 179.7° |
| C09 | C08 | C07 | H071 | 179.8° | 179.7° |
| C10 | C11 | C02 | C06 | 179.3° | 179.9° |
| C10 | C11 | C02 | O01 | 22.0° | 0.1° |
| C10 | C11 | C06 | C07 | 0.0° | 0.1° |
| C10 | C11 | C02 | C03 | 157.0° | 180.0° |
| C10 | C11 | C06 | C04 | 179.6° | 180.0° |
| C11 | C10 | C09 | H091 | 179.9° | 180.0° |
| C08 | C07 | C06 | C11 | 0.1° | 0.5° |
| C08 | C07 | C06 | H071 | 180.0° | 179.5° |
| C08 | C07 | C06 | C04 | 179.4° | 179.4° |
| C07 | C08 | C09 | H091 | 179.8° | 179.4° |
| C11 | C02 | O01 | C03 | 178.7° | 179.9° |
| C02 | C11 | C06 | C07 | 179.4° | 180.0° |
| C02 | C11 | C06 | C04 | 0.2° | 0.1° |
| C11 | C02 | C03 | C04 | 34.9° | 0.0° |
| C11 | C02 | C03 | C12 | 168.5° | 119.0° |
| C02 | C11 | C10 | H101 | 0.8° | 0.0° |
| C11 | C02 | C03 | H031 | 75.2° | 119.1° |
| C06 | C11 | C02 | O01 | 158.8° | 180.0° |
| C11 | C06 | C07 | C04 | 179.6° | 179.9° |
| C06 | C11 | C02 | C03 | 22.3° | 0.1° |
| C11 | C06 | C04 | C03 | 22.6° | 0.0° |
| C11 | C06 | C04 | O05 | 158.3° | 180.0° |
| C06 | C11 | C10 | H101 | 180.0° | 180.0° |
| C11 | C06 | C07 | H071 | 179.9° | 180.0° |
| O01 | C02 | C03 | C04 | 146.2° | 180.0° |
| O01 | C02 | C03 | C12 | 12.5° | 60.9° |
| O01 | C02 | C03 | H031 | 103.7° | 61.0° |
| C07 | C06 | C04 | C03 | 157.0° | 180.0° |
| C07 | C06 | C04 | O05 | 22.1° | 0.1° |
| C06 | C07 | C08 | H081 | 179.8° | 180.0° |
| C02 | C03 | C04 | C06 | 35.2° | 0.0° |
| C02 | C03 | C04 | C12 | 130.0° | 119.1° |
| C02 | C03 | C04 | H031 | 110.2° | 119.1° |
| C02 | C03 | C12 | H031 | 116.5° | 121.8° |
| C02 | C03 | C04 | O05 | 145.7° | 180.0° |
| C02 | C03 | C12 | C17 | 53.6° | 120.0° |
| C02 | C03 | C12 | C13 | 128.4° | 60.0° |
| C06 | C04 | C03 | O05 | 179.1° | 180.0° |
| C06 | C04 | C03 | C12 | 165.2° | 119.1° |
| C06 | C04 | C03 | H031 | 75.0° | 119.1° |
| C04 | C06 | C07 | H071 | 0.6° | 0.1° |
| C04 | C03 | C12 | H031 | 120.0° | 121.8° |
| C04 | C03 | C12 | C17 | 177.2° | 123.7° |
| C04 | C03 | C12 | C13 | 4.8° | 56.3° |
| C12 | C03 | C04 | O05 | 15.7° | 60.9° |
| C03 | C12 | C17 | C13 | 178.0° | 180.0° |
| C03 | C12 | C17 | C16 | 179.4° | 179.4° |
| C03 | C12 | C13 | C14 | 179.2° | 180.0° |
| C03 | C12 | C13 | H131 | 0.8° | 0.3° |
| C03 | C12 | C17 | H171 | 0.7° | 0.0° |
| O05 | C04 | C03 | H031 | 104.1° | 60.9° |
| C12 | C17 | C16 | H171 | 180.0° | 179.5° |
| C12 | C17 | C16 | C15 | 0.6° | 0.8° |
| C17 | C12 | C13 | C14 | 1.2° | 0.0° |
| C17 | C12 | C13 | H131 | 178.9° | 179.7° |
| C17 | C12 | C03 | H031 | 62.9° | 1.9° |
| C12 | C17 | C16 | H161 | 179.4° | 180.0° |
| C16 | C17 | C12 | C13 | 1.3° | 0.5° |
| C17 | C16 | C15 | H161 | 180.0° | 179.2° |
| C17 | C16 | C15 | C14 | 0.2° | 0.6° |
| C17 | C16 | C15 | H151 | 179.8° | 179.4° |
| C12 | C13 | C14 | H131 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 0.3° | 0.2° |
| C13 | C12 | C17 | H171 | 178.7° | 180.0° |
| C13 | C12 | C03 | H031 | 115.2° | 178.2° |
| C12 | C13 | C14 | H141 | 179.6° | 179.7° |
| C16 | C15 | C14 | C13 | 0.4° | 0.0° |
| C16 | C15 | C14 | H151 | 180.0° | 180.0° |
| C15 | C16 | C17 | H171 | 179.4° | 179.7° |
| C16 | C15 | C14 | H141 | 179.7° | 180.0° |
| C13 | C14 | C15 | H141 | 180.0° | 179.9° |
| C13 | C14 | C15 | H151 | 179.7° | 180.0° |
| C15 | C14 | C13 | H131 | 179.7° | 179.9° |
| C14 | C15 | C16 | H161 | 179.8° | 179.7° |
| H101 | C10 | C09 | H091 | 0.1° | 0.3° |
| H131 | C13 | C14 | H141 | 0.3° | 0.0° |
| H151 | C15 | C14 | H141 | 0.3° | 0.1° |
| H151 | C15 | C16 | H161 | 0.2° | 0.3° |
| H171 | C17 | C16 | H161 | 0.6° | 0.6° |
| H071 | C07 | C08 | H081 | 0.2° | 0.5° |
| H081 | C08 | C09 | H091 | 0.2° | 0.3° |
