7UV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | B01 | sing | 1.42Å | 1.42Å | |
| B01 | O02 | sing | 1.42Å | 1.44Å | |
| B01 | C11 | sing | 1.57Å | 1.69Å | |
| C12 | C11 | doub | 1.40Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.43Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C09 | doub | 1.39Å | 1.42Å | Aromatic |
| C14 | C09 | sing | 1.40Å | 1.43Å | Aromatic |
| C09 | C08 | sing | 1.47Å | 1.53Å | |
| C08 | C07 | doub | 1.34Å | 1.28Å | |
| C07 | C04 | sing | 1.47Å | 1.54Å | |
| C04 | C03 | doub | 1.40Å | 1.43Å | Aromatic |
| C04 | C05 | sing | 1.40Å | 1.42Å | Aromatic |
| C03 | C02 | sing | 1.36Å | 1.42Å | Aromatic |
| CL01 | C05 | sing | 1.74Å | 1.77Å | |
| C05 | C06 | doub | 1.38Å | 1.42Å | Aromatic |
| C02 | C01 | doub | 1.40Å | 1.42Å | Aromatic |
| C06 | C01 | sing | 1.40Å | 1.43Å | Aromatic |
| C01 | B02 | sing | 1.57Å | 1.68Å | |
| B02 | O04 | sing | 1.42Å | 1.41Å | |
| C02 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| C07 | H4 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| O01 | H10 | sing | 0.97Å | 0.95Å | |
| O02 | H11 | sing | 0.97Å | 0.95Å | |
| O04 | H12 | sing | 0.97Å | 0.95Å | |
| B02 | H13 | sing | 1.17Å | 1.20Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | B01 | O02 | 118.8° | 120.0° |
| O01 | B01 | C11 | 120.4° | 120.0° |
| B01 | O01 | H10 | 109.5° | 114.0° |
| O02 | B01 | C11 | 120.9° | 120.0° |
| B01 | O02 | H11 | 109.5° | 114.0° |
| B01 | C11 | C12 | 122.6° | 120.0° |
| B01 | C11 | C10 | 123.5° | 120.1° |
| C11 | C12 | C13 | 122.5° | 120.2° |
| C12 | C11 | C10 | 113.9° | 119.9° |
| C11 | C12 | H7 | 118.7° | 119.9° |
| C12 | C13 | C14 | 119.9° | 120.3° |
| C13 | C12 | H7 | 118.8° | 119.9° |
| C12 | C13 | H8 | 120.1° | 119.9° |
| C11 | C10 | C09 | 127.2° | 119.7° |
| C11 | C10 | H6 | 116.4° | 120.1° |
| C13 | C14 | C09 | 122.2° | 120.0° |
| C14 | C13 | H8 | 120.0° | 119.8° |
| C13 | C14 | H9 | 118.9° | 120.0° |
| C10 | C09 | C14 | 114.2° | 119.8° |
| C10 | C09 | C08 | 127.2° | 120.1° |
| C09 | C10 | H6 | 116.4° | 120.2° |
| C14 | C09 | C08 | 118.6° | 120.1° |
| C09 | C14 | H9 | 118.9° | 120.0° |
| C09 | C08 | C07 | 125.7° | 120.0° |
| C09 | C08 | H5 | 117.2° | 119.9° |
| C08 | C07 | C04 | 127.7° | 120.0° |
| C08 | C07 | H4 | 116.2° | 120.0° |
| C07 | C08 | H5 | 117.2° | 120.0° |
| C07 | C04 | C03 | 117.8° | 120.0° |
| C07 | C04 | C05 | 127.8° | 120.0° |
| C04 | C07 | H4 | 116.2° | 120.0° |
| C03 | C04 | C05 | 114.4° | 119.9° |
| C04 | C03 | C02 | 124.4° | 120.1° |
| C04 | C03 | H2 | 117.8° | 119.9° |
| C04 | C05 | CL01 | 121.2° | 120.1° |
| C04 | C05 | C06 | 120.0° | 119.8° |
| C03 | C02 | C01 | 122.3° | 120.2° |
| C03 | C02 | H1 | 118.9° | 119.9° |
| C02 | C03 | H2 | 117.8° | 120.0° |
| CL01 | C05 | C06 | 118.8° | 120.1° |
| C05 | C06 | C01 | 126.4° | 119.9° |
| C05 | C06 | H3 | 116.8° | 120.0° |
| C02 | C01 | C06 | 112.5° | 120.1° |
| C02 | C01 | B02 | 127.4° | 120.0° |
| C01 | C02 | H1 | 118.8° | 119.9° |
| C06 | C01 | B02 | 120.1° | 120.0° |
| C01 | C06 | H3 | 116.8° | 120.0° |
| C01 | B02 | O04 | 123.2° | 120.0° |
| C01 | B02 | H13 | 118.4° | 120.0° |
| B02 | O04 | H12 | 109.5° | 114.0° |
| O04 | B02 | H13 | 118.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | B01 | O02 | C11 | 179.9° | 180.0° |
| O01 | B01 | C11 | C12 | 42.9° | 180.0° |
| O01 | B01 | C11 | C10 | 137.4° | 0.0° |
| O01 | B01 | O02 | H11 | 180.0° | 179.9° |
| O02 | B01 | C11 | C12 | 137.0° | 0.0° |
| O02 | B01 | C11 | C10 | 42.7° | 180.0° |
| O02 | B01 | O01 | H10 | 180.0° | 0.0° |
| B01 | C11 | C12 | C10 | 179.7° | 180.0° |
| B01 | C11 | C12 | C13 | 179.7° | 179.9° |
| B01 | C11 | C10 | C09 | 179.4° | 180.0° |
| B01 | C11 | C10 | H6 | 0.6° | 0.0° |
| B01 | C11 | C12 | H7 | 0.3° | 0.0° |
| C11 | B01 | O01 | H10 | 0.1° | 180.0° |
| C11 | B01 | O02 | H11 | 0.1° | 0.0° |
| C11 | C12 | C13 | H7 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.2° | 0.3° |
| C12 | C11 | C10 | C09 | 0.3° | 0.0° |
| C12 | C11 | C10 | H6 | 179.7° | 179.9° |
| C11 | C12 | C13 | H8 | 179.9° | 180.0° |
| C13 | C12 | C11 | C10 | 0.0° | 0.0° |
| C12 | C13 | C14 | H8 | 180.0° | 179.7° |
| C12 | C13 | C14 | C09 | 0.6° | 0.6° |
| C12 | C13 | C14 | H9 | 179.4° | 180.0° |
| C11 | C10 | C09 | H6 | 180.0° | 179.9° |
| C11 | C10 | C09 | C14 | 0.8° | 0.2° |
| C11 | C10 | C09 | C08 | 179.8° | 180.0° |
| C10 | C11 | C12 | H7 | 180.0° | 179.9° |
| C13 | C14 | C09 | C10 | 0.9° | 0.5° |
| C13 | C14 | C09 | H9 | 180.0° | 179.5° |
| C13 | C14 | C09 | C08 | 179.9° | 179.7° |
| C14 | C13 | C12 | H7 | 179.8° | 179.8° |
| C10 | C09 | C14 | C08 | 179.2° | 179.8° |
| C10 | C09 | C08 | C07 | 178.9° | 180.0° |
| C10 | C09 | C08 | H5 | 1.1° | 0.1° |
| C10 | C09 | C14 | H9 | 179.1° | 180.0° |
| C14 | C09 | C08 | C07 | 0.1° | 0.2° |
| C14 | C09 | C08 | H5 | 179.9° | 179.7° |
| C14 | C09 | C10 | H6 | 179.2° | 179.8° |
| C09 | C14 | C13 | H8 | 179.4° | 179.8° |
| C09 | C08 | C07 | H5 | 180.0° | 179.9° |
| C09 | C08 | C07 | C04 | 179.3° | 180.0° |
| C09 | C08 | C07 | H4 | 0.7° | 0.1° |
| C08 | C09 | C10 | H6 | 0.2° | 0.1° |
| C08 | C09 | C14 | H9 | 0.0° | 0.2° |
| C08 | C07 | C04 | H4 | 180.0° | 179.9° |
| C08 | C07 | C04 | C03 | 43.3° | 0.0° |
| C08 | C07 | C04 | C05 | 138.8° | 180.0° |
| C07 | C04 | C03 | C05 | 178.2° | 180.0° |
| C07 | C04 | C03 | C02 | 179.7° | 180.0° |
| C07 | C04 | C05 | CL01 | 1.7° | 0.1° |
| C07 | C04 | C05 | C06 | 178.7° | 179.8° |
| C07 | C04 | C03 | H2 | 0.3° | 0.0° |
| C04 | C07 | C08 | H5 | 0.7° | 0.1° |
| C04 | C03 | C02 | H2 | 180.0° | 180.0° |
| C03 | C04 | C05 | CL01 | 179.7° | 180.0° |
| C03 | C04 | C05 | C06 | 0.8° | 0.2° |
| C04 | C03 | C02 | C01 | 1.2° | 0.0° |
| C04 | C03 | C02 | H1 | 178.8° | 180.0° |
| C03 | C04 | C07 | H4 | 136.7° | 180.0° |
| C05 | C04 | C03 | C02 | 1.6° | 0.0° |
| C04 | C05 | CL01 | C06 | 179.6° | 179.8° |
| C04 | C05 | C06 | C01 | 0.4° | 0.5° |
| C05 | C04 | C03 | H2 | 178.4° | 180.0° |
| C04 | C05 | C06 | H3 | 179.6° | 180.0° |
| C05 | C04 | C07 | H4 | 41.2° | 0.1° |
| C03 | C02 | C01 | H1 | 180.0° | 180.0° |
| C03 | C02 | C01 | C06 | 0.0° | 0.3° |
| C03 | C02 | C01 | B02 | 178.2° | 180.0° |
| CL01 | C05 | C06 | C01 | 179.2° | 179.7° |
| CL01 | C05 | C06 | H3 | 0.8° | 0.2° |
| C05 | C06 | C01 | C02 | 0.8° | 0.5° |
| C05 | C06 | C01 | H3 | 180.0° | 179.5° |
| C05 | C06 | C01 | B02 | 179.1° | 179.7° |
| C02 | C01 | C06 | B02 | 178.4° | 179.8° |
| C02 | C01 | B02 | O04 | 141.5° | 180.0° |
| C01 | C02 | C03 | H2 | 178.8° | 180.0° |
| C02 | C01 | C06 | H3 | 179.2° | 180.0° |
| C02 | C01 | B02 | H13 | 38.5° | 0.1° |
| C06 | C01 | B02 | O04 | 40.4° | 0.2° |
| C06 | C01 | C02 | H1 | 180.0° | 179.8° |
| C06 | C01 | B02 | H13 | 139.6° | 179.7° |
| C01 | B02 | O04 | H13 | 180.0° | 179.9° |
| B02 | C01 | C02 | H1 | 1.8° | 0.0° |
| B02 | C01 | C06 | H3 | 0.8° | 0.2° |
| C01 | B02 | O04 | H12 | 180.0° | 180.0° |
| H1 | C02 | C03 | H2 | 1.2° | 0.0° |
| H4 | C07 | C08 | H5 | 179.3° | 180.0° |
| H7 | C12 | C13 | H8 | 0.2° | 0.1° |
| H8 | C13 | C14 | H9 | 0.6° | 0.3° |
| H12 | O04 | B02 | H13 | 0.0° | 0.0° |
