A0O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O03 | C15 | doub | 1.22Å | 1.22Å | |
| C15 | C14 | sing | 1.41Å | 1.47Å | |
| C15 | O01 | sing | 1.34Å | 1.43Å | |
| C14 | C12 | doub | 1.36Å | 1.29Å | |
| O01 | C06 | sing | 1.35Å | 1.45Å | |
| C17 | C13 | sing | 1.51Å | 1.49Å | |
| C13 | C16 | sing | 1.51Å | 1.49Å | |
| C13 | C09 | doub | 1.31Å | 1.37Å | |
| C12 | C07 | sing | 1.46Å | 1.42Å | |
| C09 | C05 | sing | 1.51Å | 1.48Å | |
| C06 | C07 | doub | 1.41Å | 1.39Å | Aromatic |
| C06 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | C10 | sing | 1.40Å | 1.38Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.49Å | |
| C04 | C08 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.36Å | 1.39Å | Aromatic |
| C08 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C08 | O02 | sing | 1.36Å | 1.38Å | |
| O02 | C18 | sing | 1.43Å | 1.39Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C09 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O03 | C15 | C14 | 118.2° | 119.2° |
| O03 | C15 | O01 | 120.8° | 119.1° |
| C14 | C15 | O01 | 121.0° | 121.7° |
| C15 | C14 | C12 | 120.7° | 119.8° |
| C15 | C14 | H141 | 119.7° | 120.1° |
| C15 | O01 | C06 | 113.8° | 121.4° |
| C14 | C12 | C07 | 120.6° | 118.2° |
| C14 | C12 | H121 | 119.7° | 120.9° |
| C12 | C14 | H141 | 119.6° | 120.1° |
| O01 | C06 | C07 | 122.2° | 119.9° |
| O01 | C06 | C04 | 118.5° | 120.7° |
| C17 | C13 | C16 | 118.4° | 120.0° |
| C17 | C13 | C09 | 121.4° | 120.0° |
| C13 | C17 | H173 | 109.5° | 109.5° |
| C13 | C17 | H172 | 109.5° | 109.5° |
| C13 | C17 | H171 | 109.4° | 109.5° |
| C16 | C13 | C09 | 118.9° | 120.0° |
| C13 | C16 | H162 | 109.5° | 109.5° |
| C13 | C16 | H163 | 109.5° | 109.5° |
| C13 | C16 | H161 | 109.5° | 109.5° |
| C13 | C09 | C05 | 120.1° | 120.0° |
| C13 | C09 | H2 | 119.9° | 120.0° |
| C12 | C07 | C06 | 120.6° | 119.0° |
| C12 | C07 | C10 | 118.2° | 121.0° |
| C07 | C12 | H121 | 119.7° | 120.9° |
| C09 | C05 | C04 | 110.7° | 109.5° |
| C09 | C05 | H052 | 109.2° | 109.5° |
| C09 | C05 | H051 | 109.1° | 109.5° |
| C05 | C09 | H2 | 119.9° | 120.0° |
| C07 | C06 | C04 | 119.3° | 119.5° |
| C06 | C07 | C10 | 121.1° | 120.0° |
| C06 | C04 | C05 | 117.7° | 120.1° |
| C06 | C04 | C08 | 120.2° | 119.8° |
| C07 | C10 | C11 | 120.0° | 119.7° |
| C07 | C10 | H101 | 120.0° | 120.1° |
| C05 | C04 | C08 | 122.1° | 120.1° |
| C04 | C05 | H052 | 109.2° | 109.4° |
| C04 | C05 | H051 | 109.2° | 109.4° |
| C04 | C08 | C11 | 119.8° | 120.5° |
| C04 | C08 | O02 | 120.9° | 119.8° |
| C10 | C11 | C08 | 119.6° | 120.5° |
| C11 | C10 | H101 | 120.0° | 120.2° |
| C10 | C11 | H111 | 120.2° | 119.8° |
| C11 | C08 | O02 | 119.4° | 119.7° |
| C08 | C11 | H111 | 120.2° | 119.8° |
| C08 | O02 | C18 | 121.8° | 117.0° |
| O02 | C18 | H182 | 109.5° | 109.4° |
| O02 | C18 | H183 | 109.5° | 109.5° |
| O02 | C18 | H181 | 109.5° | 109.4° |
| H173 | C17 | H172 | 109.4° | 109.5° |
| H173 | C17 | H171 | 109.5° | 109.5° |
| H172 | C17 | H171 | 109.5° | 109.4° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H162 | C16 | H163 | 109.5° | 109.4° |
| H162 | C16 | H161 | 109.5° | 109.4° |
| H163 | C16 | H161 | 109.5° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.4° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H183 | C18 | H181 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | C15 | C14 | O01 | 179.5° | 180.0° |
| O03 | C15 | C14 | C12 | 169.2° | 180.0° |
| O03 | C15 | O01 | C06 | 167.0° | 180.0° |
| O03 | C15 | C14 | H141 | 10.8° | 0.1° |
| C15 | C14 | C12 | H141 | 180.0° | 179.9° |
| C14 | C15 | O01 | C06 | 12.4° | 0.0° |
| C15 | C14 | C12 | C07 | 1.8° | 0.0° |
| C15 | C14 | C12 | H121 | 178.1° | 180.0° |
| O01 | C15 | C14 | C12 | 10.3° | 0.0° |
| C15 | O01 | C06 | C07 | 7.5° | 0.0° |
| C15 | O01 | C06 | C04 | 172.6° | 179.9° |
| O01 | C15 | C14 | H141 | 169.7° | 180.0° |
| C14 | C12 | C07 | H121 | 180.0° | 180.0° |
| C14 | C12 | C07 | C06 | 3.3° | 0.0° |
| C14 | C12 | C07 | C10 | 177.1° | 180.0° |
| O01 | C06 | C07 | C12 | 0.2° | 0.0° |
| O01 | C06 | C07 | C04 | 179.9° | 180.0° |
| O01 | C06 | C07 | C10 | 179.8° | 180.0° |
| O01 | C06 | C04 | C05 | 0.8° | 0.3° |
| O01 | C06 | C04 | C08 | 179.7° | 179.8° |
| C17 | C13 | C16 | C09 | 166.9° | 180.0° |
| C17 | C13 | C09 | C05 | 157.4° | 174.0° |
| C13 | C17 | H173 | H172 | 120.0° | 120.0° |
| C13 | C17 | H173 | H171 | 120.0° | 120.0° |
| C13 | C17 | H172 | H171 | 120.0° | 120.0° |
| C17 | C13 | C09 | H2 | 22.6° | 5.9° |
| C17 | C13 | C16 | H162 | 180.0° | 95.3° |
| C17 | C13 | C16 | H163 | 60.0° | 24.7° |
| C17 | C13 | C16 | H161 | 60.0° | 144.7° |
| C16 | C13 | C09 | C05 | 9.1° | 5.9° |
| C16 | C13 | C17 | H173 | 180.0° | 90.0° |
| C16 | C13 | C17 | H172 | 60.0° | 150.0° |
| C16 | C13 | C17 | H171 | 60.0° | 30.0° |
| C16 | C13 | C09 | H2 | 170.9° | 174.1° |
| C13 | C16 | H162 | H163 | 120.0° | 120.0° |
| C13 | C16 | H162 | H161 | 120.0° | 120.0° |
| C13 | C16 | H163 | H161 | 120.0° | 120.1° |
| C13 | C09 | C05 | H2 | 180.0° | 179.9° |
| C13 | C09 | C05 | C04 | 169.2° | 125.5° |
| C09 | C13 | C17 | H173 | 13.4° | 90.0° |
| C09 | C13 | C17 | H172 | 106.6° | 30.1° |
| C09 | C13 | C17 | H171 | 133.4° | 150.0° |
| C13 | C09 | C05 | H052 | 70.6° | 5.6° |
| C13 | C09 | C05 | H051 | 49.1° | 114.5° |
| C09 | C13 | C16 | H162 | 13.1° | 84.7° |
| C09 | C13 | C16 | H163 | 133.1° | 155.4° |
| C09 | C13 | C16 | H161 | 106.9° | 35.3° |
| C12 | C07 | C06 | C10 | 179.6° | 180.0° |
| C12 | C07 | C06 | C04 | 179.7° | 180.0° |
| C12 | C07 | C10 | C11 | 179.6° | 180.0° |
| C12 | C07 | C10 | H101 | 0.4° | 0.3° |
| C07 | C12 | C14 | H141 | 178.2° | 180.0° |
| C09 | C05 | C04 | C06 | 77.4° | 89.5° |
| C09 | C05 | C04 | H052 | 120.2° | 120.0° |
| C09 | C05 | C04 | H051 | 120.2° | 120.0° |
| C09 | C05 | C04 | C08 | 103.8° | 90.0° |
| C09 | C05 | H052 | H051 | 119.4° | 120.0° |
| C07 | C06 | C04 | C05 | 179.1° | 179.7° |
| C07 | C06 | C04 | C08 | 0.3° | 0.3° |
| C06 | C07 | C10 | C11 | 0.0° | 0.0° |
| C06 | C07 | C10 | H101 | 180.0° | 179.7° |
| C06 | C07 | C12 | H121 | 176.7° | 180.0° |
| C04 | C06 | C07 | C10 | 0.1° | 0.1° |
| C06 | C04 | C05 | C08 | 178.8° | 179.5° |
| C06 | C04 | C08 | C11 | 0.2° | 0.5° |
| C06 | C04 | C08 | O02 | 179.4° | 179.9° |
| C06 | C04 | C05 | H052 | 42.8° | 30.5° |
| C06 | C04 | C05 | H051 | 162.4° | 150.5° |
| C07 | C10 | C11 | H101 | 180.0° | 179.7° |
| C07 | C10 | C11 | C08 | 0.0° | 0.2° |
| C07 | C10 | C11 | H111 | 180.0° | 179.7° |
| C10 | C07 | C12 | H121 | 2.9° | 0.0° |
| C05 | C04 | C08 | C11 | 179.0° | 179.9° |
| C05 | C04 | C08 | O02 | 0.6° | 0.5° |
| C04 | C05 | H052 | H051 | 119.4° | 119.9° |
| C04 | C05 | C09 | H2 | 10.8° | 54.5° |
| C04 | C08 | C11 | C10 | 0.1° | 0.4° |
| C04 | C08 | C11 | O02 | 179.6° | 179.6° |
| C04 | C08 | O02 | C18 | 176.1° | 180.0° |
| C08 | C04 | C05 | H052 | 136.0° | 150.0° |
| C08 | C04 | C05 | H051 | 16.4° | 30.1° |
| C04 | C08 | C11 | H111 | 179.9° | 179.5° |
| C10 | C11 | C08 | H111 | 180.0° | 179.9° |
| C10 | C11 | C08 | O02 | 179.5° | 180.0° |
| C11 | C08 | O02 | C18 | 3.5° | 0.4° |
| C08 | C11 | C10 | H101 | 180.0° | 179.9° |
| O02 | C08 | C11 | H111 | 0.5° | 0.1° |
| C08 | O02 | C18 | H182 | 180.0° | 180.0° |
| C08 | O02 | C18 | H183 | 60.0° | 60.0° |
| C08 | O02 | C18 | H181 | 60.0° | 60.0° |
| O02 | C18 | H182 | H183 | 120.0° | 120.0° |
| O02 | C18 | H182 | H181 | 120.0° | 120.0° |
| O02 | C18 | H183 | H181 | 120.0° | 120.0° |
| H101 | C10 | C11 | H111 | 0.0° | 0.0° |
| H173 | C17 | H172 | H171 | 120.0° | 120.0° |
| H052 | C05 | C09 | H2 | 109.4° | 174.5° |
| H051 | C05 | C09 | H2 | 131.0° | 65.5° |
| H121 | C12 | C14 | H141 | 1.8° | 0.1° |
| H162 | C16 | H163 | H161 | 120.0° | 119.9° |
| H182 | C18 | H183 | H181 | 120.0° | 120.1° |
