U07
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.44Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.42Å | Aromatic |
| C08 | C03 | sing | 1.39Å | 1.42Å | Aromatic |
| C12 | C11 | sing | 1.47Å | 1.57Å | |
| C12 | C17 | doub | 1.40Å | 1.43Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.42Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C09 | sing | 1.47Å | 1.56Å | |
| C10 | C11 | doub | 1.35Å | 1.40Å | |
| C10 | O03 | sing | 1.36Å | 1.36Å | |
| O02 | C09 | doub | 1.22Å | 1.28Å | |
| C09 | C02 | sing | 1.47Å | 1.51Å | |
| C03 | C02 | sing | 1.48Å | 1.50Å | |
| C03 | C04 | doub | 1.39Å | 1.43Å | Aromatic |
| C02 | C01 | doub | 1.35Å | 1.38Å | |
| C11 | C18 | sing | 1.49Å | 1.63Å | |
| C18 | C01 | sing | 1.50Å | 1.58Å | |
| C18 | O04 | sing | 1.43Å | 1.41Å | |
| C05 | C04 | sing | 1.38Å | 1.40Å | Aromatic |
| C01 | O01 | sing | 1.35Å | 1.36Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| O01 | H16 | sing | 0.97Å | 0.95Å | |
| O03 | H17 | sing | 0.97Å | 0.95Å | |
| O04 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | C15 | 118.8° | 120.2° |
| C14 | C13 | C12 | 123.5° | 119.8° |
| C14 | C13 | H10 | 118.2° | 120.1° |
| C13 | C14 | H11 | 120.6° | 119.9° |
| C14 | C15 | C16 | 119.6° | 120.3° |
| C15 | C14 | H11 | 120.6° | 119.9° |
| C14 | C15 | H12 | 120.2° | 119.9° |
| C13 | C12 | C11 | 120.5° | 120.1° |
| C13 | C12 | C17 | 116.0° | 119.7° |
| C12 | C13 | H10 | 118.2° | 120.1° |
| C15 | C16 | C17 | 121.0° | 120.2° |
| C16 | C15 | H12 | 120.2° | 119.8° |
| C15 | C16 | H13 | 119.5° | 119.9° |
| C08 | C07 | C06 | 120.2° | 120.1° |
| C07 | C08 | C03 | 121.4° | 119.9° |
| C08 | C07 | H6 | 119.9° | 120.0° |
| C07 | C08 | H7 | 119.3° | 120.1° |
| C07 | C06 | C05 | 119.6° | 120.3° |
| C07 | C06 | H5 | 120.2° | 119.9° |
| C06 | C07 | H6 | 119.9° | 119.9° |
| C08 | C03 | C02 | 120.3° | 120.1° |
| C08 | C03 | C04 | 117.2° | 119.7° |
| C03 | C08 | H7 | 119.3° | 120.1° |
| C11 | C12 | C17 | 123.5° | 120.2° |
| C12 | C11 | C10 | 125.5° | 118.5° |
| C12 | C11 | C18 | 111.2° | 118.5° |
| C12 | C17 | C16 | 121.0° | 119.9° |
| C12 | C17 | H14 | 119.5° | 120.0° |
| C17 | C16 | H13 | 119.5° | 119.9° |
| C16 | C17 | H14 | 119.5° | 120.1° |
| C06 | C05 | C04 | 119.8° | 120.1° |
| C06 | C05 | H4 | 120.1° | 120.0° |
| C05 | C06 | H5 | 120.2° | 119.8° |
| C09 | C10 | C11 | 122.6° | 119.5° |
| C09 | C10 | O03 | 112.7° | 120.2° |
| C10 | C09 | O02 | 120.5° | 121.1° |
| C10 | C09 | C02 | 117.9° | 117.9° |
| C11 | C10 | O03 | 117.6° | 120.3° |
| C10 | C11 | C18 | 121.1° | 123.1° |
| C10 | O03 | H17 | 109.5° | 114.0° |
| O02 | C09 | C02 | 121.5° | 121.1° |
| C09 | C02 | C03 | 114.6° | 120.3° |
| C09 | C02 | C01 | 116.2° | 119.4° |
| C02 | C03 | C04 | 122.5° | 120.1° |
| C03 | C02 | C01 | 127.0° | 120.3° |
| C03 | C04 | C05 | 121.8° | 119.9° |
| C03 | C04 | H3 | 119.1° | 120.0° |
| C02 | C01 | C18 | 126.9° | 122.9° |
| C02 | C01 | O01 | 120.3° | 118.6° |
| C11 | C18 | C01 | 108.8° | 113.0° |
| C11 | C18 | O04 | 109.4° | 108.8° |
| C11 | C18 | H15 | 110.1° | 108.8° |
| C01 | C18 | O04 | 104.0° | 108.3° |
| C18 | C01 | O01 | 104.9° | 118.5° |
| C01 | C18 | H15 | 110.7° | 109.1° |
| O04 | C18 | H15 | 113.5° | 108.7° |
| C18 | O04 | H18 | 109.5° | 114.0° |
| C05 | C04 | H3 | 119.1° | 120.1° |
| C04 | C05 | H4 | 120.1° | 119.9° |
| C01 | O01 | H16 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | C15 | H11 | 180.0° | 180.0° |
| C14 | C13 | C12 | H10 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C14 | C13 | C12 | C11 | 179.5° | 180.0° |
| C14 | C13 | C12 | C17 | 0.9° | 0.3° |
| C13 | C14 | C15 | H12 | 179.9° | 180.0° |
| C15 | C14 | C13 | C12 | 0.8° | 0.0° |
| C14 | C15 | C16 | H12 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.3° | 0.2° |
| C15 | C14 | C13 | H10 | 179.2° | 179.9° |
| C14 | C15 | C16 | H13 | 179.6° | 179.9° |
| C13 | C12 | C11 | C17 | 179.5° | 179.7° |
| C13 | C12 | C17 | C16 | 0.4° | 0.6° |
| C13 | C12 | C11 | C10 | 126.6° | 114.7° |
| C13 | C12 | C11 | C18 | 36.8° | 65.6° |
| C12 | C13 | C14 | H11 | 179.2° | 180.0° |
| C13 | C12 | C17 | H14 | 179.6° | 179.7° |
| C15 | C16 | C17 | C12 | 0.2° | 0.5° |
| C15 | C16 | C17 | H13 | 180.0° | 179.8° |
| C16 | C15 | C14 | H11 | 179.9° | 180.0° |
| C15 | C16 | C17 | H14 | 179.8° | 179.8° |
| C08 | C07 | C06 | H6 | 180.0° | 179.4° |
| C07 | C08 | C03 | H7 | 180.0° | 179.4° |
| C08 | C07 | C06 | C05 | 1.1° | 0.3° |
| C07 | C08 | C03 | C02 | 179.8° | 179.7° |
| C07 | C08 | C03 | C04 | 0.2° | 0.6° |
| C08 | C07 | C06 | H5 | 178.9° | 179.7° |
| C06 | C07 | C08 | C03 | 0.3° | 0.6° |
| C07 | C06 | C05 | H5 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 1.5° | 0.0° |
| C07 | C06 | C05 | H4 | 178.5° | 180.0° |
| C06 | C07 | C08 | H7 | 179.7° | 180.0° |
| C08 | C03 | C02 | C09 | 142.2° | 114.7° |
| C08 | C03 | C02 | C04 | 179.6° | 179.7° |
| C08 | C03 | C02 | C01 | 55.4° | 65.3° |
| C08 | C03 | C04 | C05 | 0.2° | 0.3° |
| C08 | C03 | C04 | H3 | 179.8° | 179.7° |
| C03 | C08 | C07 | H6 | 179.7° | 180.0° |
| C11 | C12 | C17 | C16 | 180.0° | 179.8° |
| C12 | C11 | C10 | C09 | 162.9° | 179.0° |
| C12 | C11 | C10 | C18 | 161.8° | 179.8° |
| C12 | C11 | C10 | O03 | 48.7° | 1.0° |
| C12 | C11 | C18 | C01 | 172.5° | 163.2° |
| C12 | C11 | C18 | O04 | 74.5° | 76.4° |
| C11 | C12 | C13 | H10 | 0.5° | 0.1° |
| C11 | C12 | C17 | H14 | 0.0° | 0.0° |
| C12 | C11 | C18 | H15 | 51.0° | 41.8° |
| C12 | C17 | C16 | H14 | 180.0° | 179.7° |
| C17 | C12 | C11 | C10 | 53.9° | 65.0° |
| C17 | C12 | C11 | C18 | 142.7° | 114.8° |
| C17 | C12 | C13 | H10 | 179.1° | 179.8° |
| C12 | C17 | C16 | H13 | 179.8° | 179.7° |
| C17 | C16 | C15 | H12 | 179.7° | 179.7° |
| C06 | C05 | C04 | C03 | 1.0° | 0.0° |
| C06 | C05 | C04 | H4 | 180.0° | 180.0° |
| C06 | C05 | C04 | H3 | 179.0° | 179.9° |
| C05 | C06 | C07 | H6 | 178.9° | 179.7° |
| C09 | C10 | C11 | O03 | 148.3° | 180.0° |
| C10 | C09 | O02 | C02 | 179.6° | 180.0° |
| C10 | C09 | C02 | C03 | 175.2° | 163.7° |
| C10 | C09 | C02 | C01 | 20.5° | 16.3° |
| C09 | C10 | C11 | C18 | 1.1° | 0.8° |
| C09 | C10 | O03 | H17 | 10.4° | 0.0° |
| C11 | C10 | C09 | O02 | 173.4° | 163.7° |
| C11 | C10 | C09 | C02 | 6.3° | 16.3° |
| C10 | C11 | C18 | C01 | 8.3° | 16.6° |
| C10 | C11 | C18 | O04 | 121.3° | 103.8° |
| C10 | C11 | C18 | H15 | 113.2° | 138.0° |
| C11 | C10 | O03 | H17 | 161.7° | 180.0° |
| O03 | C10 | C09 | O02 | 23.7° | 16.3° |
| O03 | C10 | C09 | C02 | 156.0° | 163.7° |
| O03 | C10 | C11 | C18 | 149.4° | 179.2° |
| O02 | C09 | C02 | C03 | 5.2° | 16.3° |
| O02 | C09 | C02 | C01 | 159.2° | 163.7° |
| C09 | C02 | C03 | C01 | 162.4° | 180.0° |
| C09 | C02 | C03 | C04 | 37.5° | 65.0° |
| C09 | C02 | C01 | C18 | 32.3° | 0.7° |
| C09 | C02 | C01 | O01 | 176.4° | 179.0° |
| C03 | C02 | C01 | C18 | 165.5° | 179.3° |
| C02 | C03 | C04 | C05 | 179.5° | 180.0° |
| C03 | C02 | C01 | O01 | 21.4° | 1.0° |
| C02 | C03 | C04 | H3 | 0.5° | 0.0° |
| C02 | C03 | C08 | H7 | 0.1° | 0.3° |
| C04 | C03 | C02 | C01 | 124.9° | 115.0° |
| C03 | C04 | C05 | H3 | 180.0° | 179.9° |
| C03 | C04 | C05 | H4 | 179.0° | 180.0° |
| C04 | C03 | C08 | H7 | 179.8° | 180.0° |
| C02 | C01 | C18 | C11 | 25.6° | 16.5° |
| C02 | C01 | C18 | O01 | 148.4° | 179.7° |
| C02 | C01 | C18 | O04 | 142.2° | 104.1° |
| C02 | C01 | C18 | H15 | 95.6° | 137.7° |
| C02 | C01 | O01 | H16 | 180.0° | 0.1° |
| C11 | C18 | C01 | O04 | 116.6° | 120.6° |
| C11 | C18 | C01 | H15 | 121.1° | 121.2° |
| C11 | C18 | O04 | H15 | 123.4° | 118.3° |
| C11 | C18 | C01 | O01 | 174.0° | 163.1° |
| C11 | C18 | O04 | H18 | 180.0° | 180.0° |
| C01 | C18 | O04 | H15 | 120.4° | 118.4° |
| C18 | C01 | O01 | H16 | 29.0° | 179.7° |
| C01 | C18 | O04 | H18 | 63.9° | 56.7° |
| O04 | C18 | C01 | O01 | 69.4° | 76.2° |
| C04 | C05 | C06 | H5 | 178.5° | 180.0° |
| O01 | C01 | C18 | H15 | 52.9° | 41.9° |
| H3 | C04 | C05 | H4 | 1.0° | 0.0° |
| H4 | C05 | C06 | H5 | 1.5° | 0.0° |
| H5 | C06 | C07 | H6 | 1.1° | 0.3° |
| H6 | C07 | C08 | H7 | 0.3° | 0.6° |
| H10 | C13 | C14 | H11 | 0.8° | 0.1° |
| H11 | C14 | C15 | H12 | 0.1° | 0.0° |
| H12 | C15 | C16 | H13 | 0.3° | 0.1° |
| H13 | C16 | C17 | H14 | 0.2° | 0.1° |
| H15 | C18 | O04 | H18 | 56.5° | 61.7° |
