5VB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.36Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.42Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C13 | doub | 1.35Å | 1.41Å | Aromatic |
| C17 | S16 | sing | 1.76Å | 1.71Å | Aromatic |
| C12 | C13 | sing | 1.48Å | 1.53Å | |
| C12 | C18 | doub | 1.39Å | 1.33Å | Aromatic |
| C08 | C18 | sing | 1.38Å | 1.44Å | Aromatic |
| C08 | C07 | sing | 1.51Å | 1.57Å | |
| C13 | C14 | sing | 1.39Å | 1.43Å | Aromatic |
| S16 | C15 | sing | 1.76Å | 1.69Å | Aromatic |
| C07 | N06 | sing | 1.46Å | 1.45Å | |
| C14 | C15 | doub | 1.33Å | 1.43Å | Aromatic |
| N06 | C05 | sing | 1.38Å | 1.30Å | |
| N06 | C02 | sing | 1.35Å | 1.36Å | |
| C05 | C04 | doub | 1.32Å | 1.41Å | |
| O01 | C02 | doub | 1.21Å | 1.44Å | |
| C02 | C03 | sing | 1.52Å | 1.36Å | |
| C04 | C03 | sing | 1.52Å | 1.41Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C09 | 118.7° | 120.1° |
| C10 | C11 | C12 | 119.8° | 119.9° |
| C11 | C10 | H1 | 120.6° | 119.9° |
| C10 | C11 | H11 | 120.1° | 120.1° |
| C10 | C09 | C08 | 121.6° | 120.2° |
| C09 | C10 | H1 | 120.7° | 119.9° |
| C10 | C09 | H10 | 119.2° | 119.9° |
| C11 | C12 | C13 | 117.0° | 120.1° |
| C11 | C12 | C18 | 121.9° | 119.8° |
| C12 | C11 | H11 | 120.1° | 120.1° |
| C09 | C08 | C18 | 119.7° | 120.1° |
| C09 | C08 | C07 | 118.5° | 119.9° |
| C08 | C09 | H10 | 119.2° | 119.8° |
| C13 | C17 | S16 | 105.7° | 109.5° |
| C17 | C13 | C12 | 121.6° | 122.8° |
| C17 | C13 | C14 | 115.3° | 114.5° |
| C13 | C17 | H3 | 127.2° | 125.2° |
| C17 | S16 | C15 | 99.3° | 91.2° |
| S16 | C17 | H3 | 127.2° | 125.3° |
| C13 | C12 | C18 | 121.1° | 120.1° |
| C12 | C13 | C14 | 123.1° | 122.8° |
| C12 | C18 | C08 | 118.3° | 119.8° |
| C12 | C18 | H13 | 120.8° | 120.1° |
| C18 | C08 | C07 | 121.7° | 119.9° |
| C08 | C18 | H13 | 120.9° | 120.1° |
| C08 | C07 | N06 | 111.4° | 109.5° |
| C08 | C07 | H8 | 109.0° | 109.4° |
| C08 | C07 | H9 | 109.0° | 109.5° |
| C13 | C14 | C15 | 112.9° | 114.9° |
| C13 | C14 | H12 | 123.6° | 122.5° |
| S16 | C15 | C14 | 106.8° | 109.9° |
| S16 | C15 | H2 | 126.6° | 125.0° |
| C07 | N06 | C05 | 126.3° | 124.2° |
| C07 | N06 | C02 | 123.1° | 124.1° |
| N06 | C07 | H8 | 109.0° | 109.5° |
| N06 | C07 | H9 | 109.0° | 109.5° |
| C14 | C15 | H2 | 126.6° | 125.1° |
| C15 | C14 | H12 | 123.6° | 122.6° |
| C05 | N06 | C02 | 110.6° | 111.6° |
| N06 | C05 | C04 | 107.7° | 112.5° |
| N06 | C05 | H7 | 126.2° | 123.7° |
| N06 | C02 | O01 | 124.7° | 127.2° |
| N06 | C02 | C03 | 109.0° | 105.6° |
| C05 | C04 | C03 | 107.1° | 106.6° |
| C05 | C04 | H6 | 126.5° | 126.7° |
| C04 | C05 | H7 | 126.2° | 123.7° |
| O01 | C02 | C03 | 126.3° | 127.2° |
| C02 | C03 | C04 | 105.6° | 103.7° |
| C02 | C03 | H4 | 110.4° | 110.6° |
| C02 | C03 | H5 | 110.4° | 110.6° |
| C04 | C03 | H4 | 110.4° | 110.6° |
| C04 | C03 | H5 | 110.5° | 110.7° |
| C03 | C04 | H6 | 126.4° | 126.7° |
| H4 | C03 | H5 | 109.4° | 110.5° |
| H8 | C07 | H9 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C11 | C10 | C09 | C08 | 0.5° | 0.0° |
| C10 | C11 | C12 | C13 | 179.9° | 179.9° |
| C10 | C11 | C12 | C18 | 1.8° | 0.0° |
| C11 | C10 | C09 | H10 | 179.5° | 180.0° |
| C09 | C10 | C11 | C12 | 0.6° | 0.0° |
| C10 | C09 | C08 | H10 | 180.0° | 180.0° |
| C10 | C09 | C08 | C18 | 0.7° | 0.0° |
| C10 | C09 | C08 | C07 | 179.6° | 180.0° |
| C09 | C10 | C11 | H11 | 179.3° | 180.0° |
| C11 | C12 | C13 | C17 | 41.8° | 179.7° |
| C11 | C12 | C13 | C18 | 178.1° | 179.9° |
| C11 | C12 | C18 | C08 | 1.6° | 0.0° |
| C11 | C12 | C13 | C14 | 136.6° | 0.1° |
| C12 | C11 | C10 | H1 | 179.3° | 179.7° |
| C11 | C12 | C18 | H13 | 178.4° | 180.0° |
| C09 | C08 | C18 | C12 | 0.4° | 0.0° |
| C09 | C08 | C18 | C07 | 179.7° | 180.0° |
| C09 | C08 | C07 | N06 | 159.2° | 90.0° |
| C08 | C09 | C10 | H1 | 179.5° | 179.7° |
| C09 | C08 | C07 | H8 | 38.9° | 150.0° |
| C09 | C08 | C07 | H9 | 80.5° | 30.0° |
| C09 | C08 | C18 | H13 | 179.6° | 180.0° |
| C13 | C17 | S16 | H3 | 180.0° | 180.0° |
| C17 | C13 | C12 | C14 | 178.3° | 179.6° |
| C17 | C13 | C12 | C18 | 140.1° | 0.4° |
| C13 | C17 | S16 | C15 | 0.6° | 0.0° |
| C17 | C13 | C14 | C15 | 1.1° | 0.0° |
| C17 | C13 | C14 | H12 | 178.9° | 180.0° |
| S16 | C17 | C13 | C12 | 178.7° | 179.7° |
| S16 | C17 | C13 | C14 | 0.2° | 0.0° |
| C17 | S16 | C15 | C14 | 1.2° | 0.0° |
| C17 | S16 | C15 | H2 | 178.8° | 179.9° |
| C13 | C12 | C18 | C08 | 179.7° | 180.0° |
| C12 | C13 | C14 | C15 | 179.6° | 179.7° |
| C12 | C13 | C17 | H3 | 1.3° | 0.3° |
| C13 | C12 | C11 | H11 | 0.1° | 0.0° |
| C12 | C13 | C14 | H12 | 0.4° | 0.3° |
| C13 | C12 | C18 | H13 | 0.3° | 0.1° |
| C12 | C18 | C08 | H13 | 180.0° | 180.0° |
| C12 | C18 | C08 | C07 | 179.3° | 180.0° |
| C18 | C12 | C13 | C14 | 41.5° | 180.0° |
| C18 | C12 | C11 | H11 | 178.2° | 180.0° |
| C18 | C08 | C07 | N06 | 20.5° | 90.0° |
| C18 | C08 | C07 | H8 | 140.8° | 30.0° |
| C18 | C08 | C07 | H9 | 99.8° | 150.0° |
| C18 | C08 | C09 | H10 | 179.3° | 180.0° |
| C08 | C07 | N06 | H8 | 120.3° | 119.9° |
| C08 | C07 | N06 | H9 | 120.3° | 120.0° |
| C08 | C07 | N06 | C05 | 57.6° | 90.0° |
| C08 | C07 | N06 | C02 | 123.7° | 90.5° |
| C08 | C07 | H8 | H9 | 119.1° | 120.0° |
| C07 | C08 | C09 | H10 | 0.4° | 0.0° |
| C07 | C08 | C18 | H13 | 0.7° | 0.0° |
| C13 | C14 | C15 | S16 | 1.4° | 0.0° |
| C13 | C14 | C15 | H12 | 180.0° | 180.0° |
| C13 | C14 | C15 | H2 | 178.6° | 179.9° |
| C14 | C13 | C17 | H3 | 179.8° | 180.0° |
| S16 | C15 | C14 | H2 | 180.0° | 179.9° |
| C15 | S16 | C17 | H3 | 179.4° | 180.0° |
| S16 | C15 | C14 | H12 | 178.6° | 180.0° |
| C07 | N06 | C05 | C02 | 178.9° | 179.6° |
| C07 | N06 | C05 | C04 | 179.6° | 180.0° |
| C07 | N06 | C02 | O01 | 0.4° | 0.3° |
| C07 | N06 | C02 | C03 | 179.7° | 180.0° |
| C07 | N06 | C05 | H7 | 0.4° | 0.2° |
| N06 | C07 | H8 | H9 | 119.1° | 120.0° |
| N06 | C05 | C04 | H7 | 180.0° | 179.8° |
| C05 | N06 | C02 | O01 | 179.3° | 179.9° |
| C05 | N06 | C02 | C03 | 0.7° | 0.4° |
| N06 | C05 | C04 | C03 | 0.5° | 0.2° |
| N06 | C05 | C04 | H6 | 179.5° | 179.8° |
| C05 | N06 | C07 | H8 | 62.7° | 150.1° |
| C05 | N06 | C07 | H9 | 177.9° | 30.0° |
| C02 | N06 | C05 | C04 | 0.7° | 0.4° |
| N06 | C02 | O01 | C03 | 180.0° | 179.7° |
| N06 | C02 | C03 | C04 | 0.4° | 0.2° |
| N06 | C02 | C03 | H4 | 119.8° | 118.7° |
| N06 | C02 | C03 | H5 | 119.0° | 118.5° |
| C02 | N06 | C05 | H7 | 179.2° | 179.8° |
| C02 | N06 | C07 | H8 | 116.0° | 29.5° |
| C02 | N06 | C07 | H9 | 3.3° | 149.5° |
| C05 | C04 | C03 | C02 | 0.0° | 0.0° |
| C05 | C04 | C03 | H6 | 180.0° | 179.9° |
| C05 | C04 | C03 | H4 | 119.4° | 118.5° |
| C05 | C04 | C03 | H5 | 119.4° | 118.6° |
| O01 | C02 | C03 | C04 | 179.6° | 180.0° |
| O01 | C02 | C03 | H4 | 60.2° | 61.5° |
| O01 | C02 | C03 | H5 | 60.9° | 61.3° |
| C02 | C03 | C04 | H4 | 119.4° | 118.5° |
| C02 | C03 | C04 | H5 | 119.4° | 118.6° |
| C02 | C03 | H4 | H5 | 121.7° | 122.8° |
| C02 | C03 | C04 | H6 | 180.0° | 179.9° |
| C04 | C03 | H4 | H5 | 121.8° | 122.9° |
| C03 | C04 | C05 | H7 | 179.5° | 180.0° |
| H1 | C10 | C09 | H10 | 0.5° | 0.3° |
| H1 | C10 | C11 | H11 | 0.7° | 0.3° |
| H2 | C15 | C14 | H12 | 1.4° | 0.1° |
| H4 | C03 | C04 | H6 | 60.6° | 61.4° |
| H5 | C03 | C04 | H6 | 60.6° | 61.4° |
| H6 | C04 | C05 | H7 | 0.5° | 0.0° |
