5VU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.22Å | 1.22Å | |
| C02 | N03 | sing | 1.35Å | 1.44Å | |
| C02 | N12 | sing | 1.35Å | 1.43Å | |
| N03 | C04 | sing | 1.40Å | 1.45Å | |
| C04 | C05 | sing | 1.39Å | 1.38Å | Aromatic |
| C04 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.40Å | Aromatic |
| C07 | F08 | sing | 1.35Å | 1.33Å | |
| C07 | C09 | doub | 1.39Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | F11 | sing | 1.35Å | 1.33Å | |
| N12 | C13 | sing | 1.47Å | 1.44Å | |
| N12 | C16 | sing | 1.47Å | 1.43Å | |
| C13 | C14 | sing | 1.54Å | 1.49Å | |
| C14 | C15 | sing | 1.55Å | 1.49Å | |
| C15 | C16 | sing | 1.55Å | 1.49Å | |
| N03 | H03 | sing | 0.97Å | 1.00Å | |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C09 | H09 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | N03 | 122.4° | 120.0° |
| O01 | C02 | N12 | 118.5° | 120.0° |
| N03 | C02 | N12 | 119.1° | 120.0° |
| C02 | N03 | C04 | 128.8° | 120.0° |
| C02 | N03 | H03 | 115.6° | 120.0° |
| C02 | N12 | C13 | 124.4° | 125.7° |
| C02 | N12 | C16 | 125.8° | 125.6° |
| N03 | C04 | C05 | 124.8° | 120.1° |
| N03 | C04 | C10 | 116.5° | 120.0° |
| C04 | N03 | H03 | 115.6° | 120.0° |
| C05 | C04 | C10 | 118.7° | 119.9° |
| C04 | C05 | C06 | 120.5° | 120.0° |
| C04 | C05 | H05 | 119.7° | 120.0° |
| C04 | C10 | C09 | 121.8° | 119.9° |
| C04 | C10 | F11 | 117.9° | 120.0° |
| C05 | C06 | C07 | 119.9° | 120.1° |
| C06 | C05 | H05 | 119.8° | 120.0° |
| C05 | C06 | H06 | 120.0° | 120.0° |
| C06 | C07 | F08 | 121.2° | 120.0° |
| C06 | C07 | C09 | 119.8° | 120.1° |
| C07 | C06 | H06 | 120.0° | 119.9° |
| F08 | C07 | C09 | 119.0° | 119.9° |
| C07 | C09 | C10 | 119.3° | 120.0° |
| C07 | C09 | H09 | 120.4° | 120.0° |
| C09 | C10 | F11 | 120.3° | 120.0° |
| C10 | C09 | H09 | 120.4° | 120.0° |
| C13 | N12 | C16 | 109.8° | 108.7° |
| N12 | C13 | C14 | 107.7° | 107.3° |
| N12 | C13 | H131 | 109.9° | 109.9° |
| N12 | C13 | H132 | 109.9° | 109.9° |
| N12 | C16 | C15 | 107.7° | 104.7° |
| N12 | C16 | H161 | 109.9° | 110.3° |
| N12 | C16 | H162 | 109.9° | 110.4° |
| C13 | C14 | C15 | 105.7° | 102.9° |
| C14 | C13 | H131 | 109.9° | 109.9° |
| C14 | C13 | H132 | 109.9° | 109.8° |
| C13 | C14 | H141 | 110.4° | 110.7° |
| C13 | C14 | H142 | 110.4° | 110.7° |
| C14 | C15 | C16 | 106.3° | 101.5° |
| C15 | C14 | H141 | 110.4° | 110.7° |
| C15 | C14 | H142 | 110.4° | 110.8° |
| C14 | C15 | H151 | 110.3° | 111.0° |
| C14 | C15 | H152 | 110.3° | 111.0° |
| C15 | C16 | H161 | 109.9° | 110.5° |
| C15 | C16 | H162 | 109.9° | 110.3° |
| C16 | C15 | H151 | 110.2° | 111.2° |
| C16 | C15 | H152 | 110.3° | 110.9° |
| H131 | C13 | H132 | 109.4° | 110.0° |
| H161 | C16 | H162 | 109.4° | 110.4° |
| H141 | C14 | H142 | 109.5° | 110.8° |
| H151 | C15 | H152 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | N03 | N12 | 179.1° | 179.7° |
| O01 | C02 | N03 | C04 | 1.0° | 4.5° |
| O01 | C02 | N12 | C13 | 0.6° | 0.0° |
| O01 | C02 | N12 | C16 | 179.8° | 179.7° |
| O01 | C02 | N03 | H03 | 179.0° | 175.6° |
| C02 | N03 | C04 | H03 | 180.0° | 180.0° |
| C02 | N03 | C04 | C05 | 22.4° | 34.7° |
| C02 | N03 | C04 | C10 | 159.9° | 145.6° |
| N03 | C02 | N12 | C13 | 179.7° | 179.7° |
| N03 | C02 | N12 | C16 | 1.1° | 0.6° |
| N12 | C02 | N03 | C04 | 179.9° | 175.8° |
| C02 | N12 | C13 | C16 | 179.3° | 179.8° |
| C02 | N12 | C13 | C14 | 171.7° | 179.0° |
| C02 | N12 | C16 | C15 | 177.9° | 155.8° |
| N12 | C02 | N03 | H03 | 0.1° | 4.2° |
| C02 | N12 | C13 | H131 | 68.6° | 59.5° |
| C02 | N12 | C13 | H132 | 52.0° | 61.7° |
| C02 | N12 | C16 | H161 | 62.4° | 85.3° |
| C02 | N12 | C16 | H162 | 58.1° | 37.0° |
| N03 | C04 | C05 | C10 | 177.7° | 179.7° |
| N03 | C04 | C05 | C06 | 178.4° | 180.0° |
| N03 | C04 | C10 | C09 | 178.8° | 179.7° |
| N03 | C04 | C10 | F11 | 1.5° | 0.0° |
| N03 | C04 | C05 | H05 | 1.6° | 0.1° |
| C04 | C05 | C06 | H05 | 180.0° | 179.9° |
| C04 | C05 | C06 | C07 | 0.2° | 0.0° |
| C05 | C04 | C10 | C09 | 0.8° | 0.6° |
| C05 | C04 | C10 | F11 | 179.4° | 179.6° |
| C05 | C04 | N03 | H03 | 157.6° | 145.4° |
| C04 | C05 | C06 | H06 | 179.9° | 180.0° |
| C10 | C04 | C05 | C06 | 0.7° | 0.3° |
| C04 | C10 | C09 | C07 | 0.4° | 0.6° |
| C04 | C10 | C09 | F11 | 179.8° | 179.7° |
| C10 | C04 | N03 | H03 | 20.1° | 34.3° |
| C10 | C04 | C05 | H05 | 179.3° | 179.7° |
| C04 | C10 | C09 | H09 | 179.5° | 179.7° |
| C05 | C06 | C07 | H06 | 180.0° | 180.0° |
| C05 | C06 | C07 | F08 | 179.8° | 180.0° |
| C05 | C06 | C07 | C09 | 0.3° | 0.0° |
| C06 | C07 | F08 | C09 | 179.6° | 180.0° |
| C06 | C07 | C09 | C10 | 0.1° | 0.3° |
| C07 | C06 | C05 | H05 | 179.9° | 179.9° |
| C06 | C07 | C09 | H09 | 179.9° | 180.0° |
| F08 | C07 | C09 | C10 | 179.7° | 179.7° |
| F08 | C07 | C06 | H06 | 0.2° | 0.0° |
| F08 | C07 | C09 | H09 | 0.3° | 0.0° |
| C07 | C09 | C10 | H09 | 180.0° | 179.7° |
| C07 | C09 | C10 | F11 | 179.8° | 179.7° |
| C09 | C07 | C06 | H06 | 179.7° | 180.0° |
| F11 | C10 | C09 | H09 | 0.2° | 0.1° |
| N12 | C13 | C14 | H131 | 119.7° | 119.5° |
| N12 | C13 | C14 | H132 | 119.8° | 119.4° |
| N12 | C13 | C14 | C15 | 15.7° | 22.3° |
| C13 | N12 | C16 | C15 | 1.4° | 24.4° |
| N12 | C13 | H131 | H132 | 120.8° | 121.1° |
| C13 | N12 | C16 | H161 | 118.3° | 94.5° |
| C13 | N12 | C16 | H162 | 121.1° | 143.2° |
| N12 | C13 | C14 | H141 | 135.0° | 140.6° |
| N12 | C13 | C14 | H142 | 103.7° | 96.2° |
| C16 | N12 | C13 | C14 | 9.0° | 1.2° |
| N12 | C16 | C15 | C14 | 11.1° | 37.3° |
| N12 | C16 | C15 | H161 | 119.7° | 118.8° |
| N12 | C16 | C15 | H162 | 119.7° | 118.8° |
| C16 | N12 | C13 | H131 | 110.7° | 120.7° |
| C16 | N12 | C13 | H132 | 128.7° | 118.1° |
| N12 | C16 | H161 | H162 | 120.8° | 122.3° |
| N12 | C16 | C15 | H151 | 108.4° | 80.8° |
| N12 | C16 | C15 | H152 | 130.6° | 155.3° |
| C13 | C14 | C15 | H141 | 119.4° | 118.3° |
| C13 | C14 | C15 | H142 | 119.4° | 118.4° |
| C13 | C14 | C15 | C16 | 16.2° | 35.7° |
| C14 | C13 | H131 | H132 | 120.8° | 121.0° |
| C13 | C14 | H141 | H142 | 121.8° | 123.2° |
| C13 | C14 | C15 | H151 | 103.2° | 82.6° |
| C13 | C14 | C15 | H152 | 135.7° | 153.6° |
| C14 | C15 | C16 | H151 | 119.5° | 118.2° |
| C14 | C15 | C16 | H152 | 119.5° | 117.9° |
| C15 | C14 | C13 | H131 | 104.1° | 97.2° |
| C15 | C14 | C13 | H132 | 135.4° | 141.6° |
| C14 | C15 | C16 | H161 | 108.6° | 81.5° |
| C14 | C15 | C16 | H162 | 130.9° | 156.1° |
| C15 | C14 | H141 | H142 | 121.7° | 123.3° |
| C14 | C15 | H151 | H152 | 121.5° | 123.9° |
| C15 | C16 | H161 | H162 | 120.8° | 122.3° |
| C16 | C15 | C14 | H141 | 135.6° | 154.0° |
| C16 | C15 | C14 | H142 | 103.2° | 82.7° |
| C16 | C15 | H151 | H152 | 121.4° | 123.9° |
| H05 | C05 | C06 | H06 | 0.1° | 0.1° |
| H131 | C13 | C14 | H141 | 15.3° | 21.1° |
| H131 | C13 | C14 | H142 | 136.5° | 144.4° |
| H132 | C13 | C14 | H141 | 105.2° | 100.1° |
| H132 | C13 | C14 | H142 | 16.0° | 23.2° |
| H161 | C16 | C15 | H151 | 131.9° | 160.3° |
| H161 | C16 | C15 | H152 | 10.9° | 36.4° |
| H162 | C16 | C15 | H151 | 11.4° | 37.9° |
| H162 | C16 | C15 | H152 | 109.6° | 86.0° |
| H141 | C14 | C15 | H151 | 16.1° | 35.7° |
| H141 | C14 | C15 | H152 | 104.9° | 88.1° |
| H142 | C14 | C15 | H151 | 137.3° | 159.0° |
| H142 | C14 | C15 | H152 | 16.3° | 35.2° |






