6VF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C10 | sing | 1.36Å | 1.37Å | |
| C7 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C4 | sing | 1.38Å | 1.42Å | Aromatic |
| C10 | C12 | sing | 1.39Å | 1.37Å | Aromatic |
| C4 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C20 | sing | 1.51Å | 1.51Å | |
| C20 | CA | sing | 1.53Å | 1.55Å | |
| CA | N | sing | 1.47Å | 1.45Å | |
| CA | C | sing | 1.53Å | 1.54Å | |
| O | C | sing | 1.43Å | 1.40Å | |
| C | C22 | sing | 1.53Å | 1.54Å | |
| O3 | C22 | sing | 1.43Å | 1.44Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| O | H9 | sing | 0.97Å | 0.95Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C7 | H14 | sing | 1.08Å | 1.08Å | |
| O1 | H15 | sing | 0.97Å | 0.95Å | |
| O3 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C10 | C7 | 124.1° | 120.1° |
| O1 | C10 | C12 | 115.7° | 120.0° |
| C10 | O1 | H15 | 109.5° | 113.9° |
| C10 | C7 | C4 | 118.9° | 119.9° |
| C7 | C10 | C12 | 120.2° | 119.9° |
| C10 | C7 | H14 | 120.6° | 120.0° |
| C7 | C4 | C2 | 120.3° | 120.0° |
| C7 | C4 | H1 | 119.8° | 119.9° |
| C4 | C7 | H14 | 120.5° | 120.0° |
| C10 | C12 | C21 | 120.9° | 119.9° |
| C10 | C12 | H12 | 119.6° | 120.1° |
| C4 | C2 | C21 | 119.3° | 120.1° |
| C4 | C2 | C20 | 118.1° | 119.9° |
| C2 | C4 | H1 | 119.9° | 120.1° |
| C12 | C21 | C2 | 120.3° | 120.1° |
| C21 | C12 | H12 | 119.5° | 120.1° |
| C12 | C21 | H5 | 119.8° | 119.9° |
| C21 | C2 | C20 | 122.6° | 120.0° |
| C2 | C21 | H5 | 119.8° | 120.0° |
| C2 | C20 | CA | 118.4° | 109.5° |
| C2 | C20 | H3 | 107.2° | 109.5° |
| C2 | C20 | H4 | 107.2° | 109.4° |
| C20 | CA | N | 107.9° | 109.5° |
| C20 | CA | C | 112.2° | 109.4° |
| CA | C20 | H3 | 107.2° | 109.5° |
| CA | C20 | H4 | 107.2° | 109.5° |
| C20 | CA | HA | 108.4° | 109.5° |
| N | CA | C | 110.1° | 109.5° |
| N | CA | HA | 109.6° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| CA | C | O | 105.4° | 109.5° |
| CA | C | C22 | 116.1° | 109.4° |
| CA | C | H8 | 107.0° | 109.5° |
| C | CA | HA | 108.5° | 109.5° |
| O | C | C22 | 112.3° | 109.5° |
| O | C | H8 | 108.8° | 109.5° |
| C | O | H9 | 109.5° | 114.0° |
| C | C22 | O3 | 108.3° | 109.5° |
| C | C22 | H6 | 109.8° | 109.4° |
| C | C22 | H7 | 109.8° | 109.5° |
| C22 | C | H8 | 106.9° | 109.5° |
| O3 | C22 | H6 | 109.7° | 109.4° |
| O3 | C22 | H7 | 109.7° | 109.5° |
| C22 | O3 | H16 | 109.5° | 114.0° |
| H3 | C20 | H4 | 109.5° | 109.5° |
| H6 | C22 | H7 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C10 | C7 | C12 | 179.6° | 179.7° |
| O1 | C10 | C7 | C4 | 178.7° | 180.0° |
| O1 | C10 | C12 | C21 | 180.0° | 179.7° |
| O1 | C10 | C12 | H12 | 0.0° | 0.3° |
| O1 | C10 | C7 | H14 | 1.3° | 0.3° |
| C10 | C7 | C4 | H14 | 180.0° | 179.7° |
| C10 | C7 | C4 | C2 | 2.0° | 0.0° |
| C7 | C10 | C12 | C21 | 0.4° | 0.6° |
| C10 | C7 | C4 | H1 | 178.0° | 180.0° |
| C7 | C10 | C12 | H12 | 179.6° | 180.0° |
| C7 | C10 | O1 | H15 | 180.0° | 90.0° |
| C4 | C7 | C10 | C12 | 1.7° | 0.3° |
| C7 | C4 | C2 | H1 | 180.0° | 180.0° |
| C7 | C4 | C2 | C21 | 0.9° | 0.0° |
| C7 | C4 | C2 | C20 | 178.2° | 179.7° |
| C10 | C12 | C21 | H12 | 180.0° | 179.4° |
| C10 | C12 | C21 | C2 | 0.7° | 0.6° |
| C10 | C12 | C21 | H5 | 179.3° | 179.4° |
| C12 | C10 | C7 | H14 | 178.3° | 180.0° |
| C12 | C10 | O1 | H15 | 0.3° | 89.7° |
| C4 | C2 | C21 | C12 | 0.4° | 0.3° |
| C4 | C2 | C21 | C20 | 179.1° | 179.8° |
| C4 | C2 | C20 | CA | 177.4° | 90.3° |
| C4 | C2 | C20 | H3 | 61.4° | 29.7° |
| C4 | C2 | C20 | H4 | 56.1° | 149.7° |
| C4 | C2 | C21 | H5 | 179.6° | 179.7° |
| C2 | C4 | C7 | H14 | 178.0° | 179.7° |
| C12 | C21 | C2 | H5 | 180.0° | 180.0° |
| C12 | C21 | C2 | C20 | 179.5° | 180.0° |
| C21 | C2 | C20 | CA | 1.7° | 90.0° |
| C21 | C2 | C4 | H1 | 179.1° | 180.0° |
| C2 | C21 | C12 | H12 | 179.3° | 180.0° |
| C21 | C2 | C20 | H3 | 119.6° | 150.0° |
| C21 | C2 | C20 | H4 | 123.0° | 30.0° |
| C2 | C20 | CA | H3 | 121.3° | 120.0° |
| C2 | C20 | CA | H4 | 121.3° | 120.0° |
| C2 | C20 | CA | N | 82.1° | 65.0° |
| C2 | C20 | CA | C | 156.3° | 175.0° |
| C20 | C2 | C4 | H1 | 1.8° | 0.3° |
| C2 | C20 | H3 | H4 | 115.9° | 120.0° |
| C20 | C2 | C21 | H5 | 0.5° | 0.1° |
| C2 | C20 | CA | HA | 36.5° | 55.0° |
| C20 | CA | N | C | 122.8° | 120.0° |
| C20 | CA | N | HA | 117.8° | 120.0° |
| C20 | CA | C | HA | 119.7° | 120.0° |
| C20 | CA | C | O | 72.8° | 60.0° |
| C20 | CA | C | C22 | 162.2° | 180.0° |
| CA | C20 | H3 | H4 | 115.9° | 120.0° |
| C20 | CA | C | H8 | 42.9° | 60.0° |
| C20 | CA | N | H | 180.0° | 60.0° |
| C20 | CA | N | H2 | 60.0° | 63.9° |
| N | CA | C | HA | 120.0° | 120.0° |
| N | CA | C | O | 47.4° | 60.0° |
| N | CA | C | C22 | 77.6° | 60.0° |
| N | CA | C20 | H3 | 156.6° | 175.0° |
| N | CA | C20 | H4 | 39.1° | 55.0° |
| N | CA | C | H8 | 163.1° | 180.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| CA | C | O | C22 | 127.4° | 120.0° |
| CA | C | O | H8 | 114.5° | 120.0° |
| CA | C | C22 | H8 | 119.3° | 120.0° |
| CA | C | C22 | O3 | 55.5° | 175.0° |
| C | CA | C20 | H3 | 35.1° | 55.0° |
| C | CA | C20 | H4 | 82.4° | 65.0° |
| CA | C | C22 | H6 | 175.3° | 65.0° |
| CA | C | C22 | H7 | 64.3° | 55.0° |
| CA | C | O | H9 | 180.0° | 60.0° |
| C | CA | N | H | 57.2° | 60.0° |
| C | CA | N | H2 | 62.8° | 176.1° |
| O | C | C22 | H8 | 119.2° | 120.0° |
| O | C | C22 | O3 | 176.9° | 65.0° |
| O | C | C22 | H6 | 63.3° | 55.0° |
| O | C | C22 | H7 | 57.2° | 175.0° |
| O | C | CA | HA | 167.5° | 179.9° |
| C | C22 | O3 | H6 | 119.8° | 119.9° |
| C | C22 | O3 | H7 | 119.8° | 120.0° |
| C | C22 | H6 | H7 | 120.6° | 120.0° |
| C22 | C | O | H9 | 52.6° | 60.0° |
| C22 | C | CA | HA | 42.4° | 60.0° |
| C | C22 | O3 | H16 | 180.0° | 180.0° |
| O3 | C22 | H6 | H7 | 120.5° | 120.0° |
| O3 | C22 | C | H8 | 63.8° | 55.0° |
| H1 | C4 | C7 | H14 | 2.0° | 0.3° |
| H12 | C12 | C21 | H5 | 0.7° | 0.0° |
| H3 | C20 | CA | HA | 84.8° | 64.9° |
| H4 | C20 | CA | HA | 157.8° | 175.0° |
| H6 | C22 | C | H8 | 56.0° | 175.0° |
| H6 | C22 | O3 | H16 | 60.2° | 60.1° |
| H7 | C22 | C | H8 | 176.4° | 65.0° |
| H7 | C22 | O3 | H16 | 60.2° | 60.0° |
| H8 | C | O | H9 | 65.6° | 180.0° |
| H8 | C | CA | HA | 76.9° | 59.9° |
| HA | CA | N | H | 62.2° | 180.0° |
| HA | CA | N | H2 | 177.8° | 56.1° |
