7VG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C13 | sing | 1.36Å | 1.40Å | |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| O02 | C11 | sing | 1.36Å | 1.39Å | |
| C13 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C09 | doub | 1.40Å | 1.42Å | Aromatic |
| C10 | C09 | sing | 1.40Å | 1.41Å | Aromatic |
| C09 | C08 | sing | 1.47Å | 1.52Å | |
| C08 | C07 | doub | 1.34Å | 1.37Å | |
| C07 | C04 | sing | 1.47Å | 1.53Å | |
| C04 | C05 | doub | 1.40Å | 1.41Å | Aromatic |
| C04 | C03 | sing | 1.40Å | 1.45Å | Aromatic |
| CL1 | C03 | sing | 1.74Å | 1.72Å | |
| C05 | C06 | sing | 1.37Å | 1.41Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.42Å | Aromatic |
| C06 | C01 | doub | 1.40Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.40Å | 1.42Å | Aromatic |
| C01 | B01 | sing | 1.57Å | 1.61Å | |
| B01 | O04 | sing | 1.42Å | 1.38Å | |
| B01 | O03 | sing | 1.42Å | 1.37Å | |
| C02 | H1 | sing | 1.08Å | 1.08Å | |
| O04 | H2 | sing | 0.97Å | 0.95Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| O01 | H10 | sing | 0.97Å | 0.95Å | |
| O02 | H11 | sing | 0.97Å | 0.95Å | |
| O03 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C13 | C12 | 118.8° | 120.0° |
| O01 | C13 | C14 | 118.8° | 119.9° |
| C13 | O01 | H10 | 109.5° | 114.0° |
| C13 | C12 | C11 | 117.0° | 120.2° |
| C12 | C13 | C14 | 122.4° | 120.1° |
| C13 | C12 | H5 | 121.5° | 119.9° |
| C12 | C11 | O02 | 122.0° | 119.9° |
| C12 | C11 | C10 | 121.3° | 120.1° |
| C11 | C12 | H5 | 121.5° | 119.9° |
| O02 | C11 | C10 | 116.6° | 120.0° |
| C11 | O02 | H11 | 109.5° | 114.0° |
| C13 | C14 | C09 | 120.7° | 119.9° |
| C13 | C14 | H6 | 119.7° | 120.1° |
| C11 | C10 | C09 | 122.8° | 119.9° |
| C11 | C10 | H9 | 118.6° | 120.0° |
| C14 | C09 | C10 | 115.9° | 119.7° |
| C14 | C09 | C08 | 129.5° | 120.2° |
| C09 | C14 | H6 | 119.7° | 120.0° |
| C10 | C09 | C08 | 114.6° | 120.1° |
| C09 | C10 | H9 | 118.6° | 120.0° |
| C09 | C08 | C07 | 127.5° | 120.1° |
| C09 | C08 | H8 | 116.2° | 120.0° |
| C08 | C07 | C04 | 135.9° | 120.0° |
| C08 | C07 | H7 | 112.1° | 120.0° |
| C07 | C08 | H8 | 116.3° | 120.0° |
| C07 | C04 | C05 | 122.1° | 120.0° |
| C07 | C04 | C03 | 126.6° | 120.0° |
| C04 | C07 | H7 | 112.1° | 120.0° |
| C05 | C04 | C03 | 111.3° | 119.9° |
| C04 | C05 | C06 | 125.0° | 120.1° |
| C04 | C05 | H3 | 117.5° | 119.9° |
| C04 | C03 | CL1 | 121.2° | 120.1° |
| C04 | C03 | C02 | 122.6° | 119.8° |
| CL1 | C03 | C02 | 116.1° | 120.1° |
| C05 | C06 | C01 | 124.2° | 120.2° |
| C06 | C05 | H3 | 117.5° | 120.0° |
| C05 | C06 | H4 | 117.9° | 119.8° |
| C03 | C02 | C01 | 123.9° | 119.9° |
| C03 | C02 | H1 | 118.1° | 120.1° |
| C06 | C01 | C02 | 112.9° | 120.1° |
| C06 | C01 | B01 | 122.0° | 119.9° |
| C01 | C06 | H4 | 117.9° | 120.0° |
| C02 | C01 | B01 | 125.1° | 120.0° |
| C01 | C02 | H1 | 118.0° | 120.1° |
| C01 | B01 | O04 | 119.9° | 120.0° |
| C01 | B01 | O03 | 122.1° | 120.0° |
| O04 | B01 | O03 | 117.9° | 120.0° |
| B01 | O04 | H2 | 109.5° | 114.0° |
| B01 | O03 | H12 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C13 | C12 | C14 | 179.3° | 180.0° |
| O01 | C13 | C12 | C11 | 179.6° | 179.9° |
| O01 | C13 | C14 | C09 | 179.6° | 179.9° |
| O01 | C13 | C12 | H5 | 0.4° | 0.0° |
| O01 | C13 | C14 | H6 | 0.4° | 0.0° |
| C13 | C12 | C11 | H5 | 180.0° | 179.9° |
| C13 | C12 | C11 | O02 | 179.7° | 179.8° |
| C13 | C12 | C11 | C10 | 0.2° | 0.0° |
| C12 | C13 | C14 | C09 | 0.3° | 0.0° |
| C12 | C13 | C14 | H6 | 179.7° | 180.0° |
| C12 | C13 | O01 | H10 | 180.0° | 90.0° |
| C12 | C11 | O02 | C10 | 179.5° | 179.7° |
| C11 | C12 | C13 | C14 | 0.3° | 0.0° |
| C12 | C11 | C10 | C09 | 0.7° | 0.0° |
| C12 | C11 | C10 | H9 | 179.2° | 180.0° |
| C12 | C11 | O02 | H11 | 180.0° | 89.8° |
| O02 | C11 | C10 | C09 | 179.7° | 179.8° |
| O02 | C11 | C12 | H5 | 0.3° | 0.3° |
| O02 | C11 | C10 | H9 | 0.3° | 0.3° |
| C13 | C14 | C09 | H6 | 180.0° | 180.0° |
| C13 | C14 | C09 | C10 | 0.3° | 0.1° |
| C13 | C14 | C09 | C08 | 179.3° | 180.0° |
| C14 | C13 | C12 | H5 | 179.7° | 180.0° |
| C14 | C13 | O01 | H10 | 0.7° | 90.0° |
| C11 | C10 | C09 | C14 | 0.8° | 0.1° |
| C11 | C10 | C09 | H9 | 180.0° | 179.9° |
| C11 | C10 | C09 | C08 | 179.9° | 180.0° |
| C10 | C11 | C12 | H5 | 179.8° | 180.0° |
| C10 | C11 | O02 | H11 | 0.5° | 90.0° |
| C14 | C09 | C10 | C08 | 179.2° | 179.9° |
| C14 | C09 | C08 | C07 | 142.7° | 180.0° |
| C14 | C09 | C08 | H8 | 37.4° | 0.0° |
| C14 | C09 | C10 | H9 | 179.2° | 180.0° |
| C10 | C09 | C08 | C07 | 38.3° | 0.1° |
| C10 | C09 | C14 | H6 | 179.7° | 180.0° |
| C10 | C09 | C08 | H8 | 141.7° | 179.9° |
| C09 | C08 | C07 | H8 | 180.0° | 180.0° |
| C09 | C08 | C07 | C04 | 177.9° | 180.0° |
| C08 | C09 | C14 | H6 | 0.7° | 0.1° |
| C09 | C08 | C07 | H7 | 2.1° | 0.0° |
| C08 | C09 | C10 | H9 | 0.0° | 0.1° |
| C08 | C07 | C04 | H7 | 180.0° | 180.0° |
| C08 | C07 | C04 | C05 | 168.7° | 0.1° |
| C08 | C07 | C04 | C03 | 9.5° | 179.8° |
| C07 | C04 | C05 | C03 | 178.5° | 179.8° |
| C07 | C04 | C03 | CL1 | 1.4° | 0.2° |
| C07 | C04 | C05 | C06 | 179.4° | 180.0° |
| C07 | C04 | C03 | C02 | 179.2° | 179.8° |
| C07 | C04 | C05 | H3 | 0.6° | 0.2° |
| C04 | C07 | C08 | H8 | 2.0° | 0.0° |
| C05 | C04 | C03 | CL1 | 179.8° | 180.0° |
| C04 | C05 | C06 | H3 | 180.0° | 179.8° |
| C05 | C04 | C03 | C02 | 0.8° | 0.0° |
| C04 | C05 | C06 | C01 | 0.7° | 0.5° |
| C04 | C05 | C06 | H4 | 179.3° | 180.0° |
| C05 | C04 | C07 | H7 | 11.3° | 180.0° |
| C04 | C03 | CL1 | C02 | 179.4° | 180.0° |
| C03 | C04 | C05 | C06 | 1.0° | 0.2° |
| C04 | C03 | C02 | C01 | 0.5° | 0.0° |
| C04 | C03 | C02 | H1 | 179.5° | 180.0° |
| C03 | C04 | C05 | H3 | 179.0° | 180.0° |
| C03 | C04 | C07 | H7 | 170.5° | 0.2° |
| CL1 | C03 | C02 | C01 | 179.9° | 180.0° |
| CL1 | C03 | C02 | H1 | 0.1° | 0.0° |
| C05 | C06 | C01 | H4 | 180.0° | 179.5° |
| C05 | C06 | C01 | C02 | 0.3° | 0.5° |
| C05 | C06 | C01 | B01 | 179.4° | 179.8° |
| C03 | C02 | C01 | C06 | 0.2° | 0.3° |
| C03 | C02 | C01 | H1 | 180.0° | 180.0° |
| C03 | C02 | C01 | B01 | 179.5° | 180.0° |
| C06 | C01 | C02 | B01 | 179.6° | 179.7° |
| C06 | C01 | B01 | O04 | 5.4° | 179.7° |
| C06 | C01 | B01 | O03 | 173.9° | 0.3° |
| C06 | C01 | C02 | H1 | 179.8° | 179.7° |
| C01 | C06 | C05 | H3 | 179.3° | 179.7° |
| C02 | C01 | B01 | O04 | 174.9° | 0.0° |
| C02 | C01 | B01 | O03 | 5.7° | 180.0° |
| C02 | C01 | C06 | H4 | 179.7° | 180.0° |
| C01 | B01 | O04 | O03 | 179.4° | 180.0° |
| B01 | C01 | C02 | H1 | 0.5° | 0.0° |
| C01 | B01 | O04 | H2 | 180.0° | 179.9° |
| B01 | C01 | C06 | H4 | 0.6° | 0.3° |
| C01 | B01 | O03 | H12 | 180.0° | 180.0° |
| O04 | B01 | O03 | H12 | 0.6° | 0.0° |
| O03 | B01 | O04 | H2 | 0.6° | 0.1° |
| H3 | C05 | C06 | H4 | 0.7° | 0.2° |
| H7 | C07 | C08 | H8 | 178.0° | 180.0° |
