6QN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.49Å | |
| C2 | N3 | sing | 1.46Å | 1.46Å | |
| N3 | C4 | sing | 1.35Å | 1.34Å | |
| O17 | C16 | doub | 1.22Å | 1.23Å | |
| C4 | O5 | doub | 1.22Å | 1.23Å | |
| C4 | C6 | sing | 1.47Å | 1.48Å | |
| C16 | C6 | sing | 1.46Å | 1.44Å | |
| C16 | N14 | sing | 1.34Å | 1.35Å | |
| C6 | C7 | doub | 1.40Å | 1.39Å | |
| N14 | C13 | sing | 1.38Å | 1.39Å | |
| C7 | O18 | sing | 1.35Å | 1.33Å | |
| C7 | C8 | sing | 1.47Å | 1.45Å | |
| C13 | C8 | doub | 1.41Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | N11 | doub | 1.32Å | 1.34Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| N11 | C10 | sing | 1.32Å | 1.33Å | Aromatic |
| C9 | H25 | sing | 1.08Å | 1.08Å | |
| C10 | H26 | sing | 1.08Å | 1.08Å | |
| C12 | H27 | sing | 1.08Å | 1.08Å | |
| N3 | H24 | sing | 0.97Å | 1.00Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| N14 | H15 | sing | 0.97Å | 1.00Å | |
| O18 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | N3 | 111.9° | 109.5° |
| C2 | C1 | H19 | 109.5° | 109.5° |
| C2 | C1 | H20 | 109.4° | 109.5° |
| C2 | C1 | H21 | 109.5° | 109.5° |
| C1 | C2 | H23 | 108.8° | 109.5° |
| C1 | C2 | H22 | 108.9° | 109.5° |
| C2 | N3 | C4 | 122.7° | 120.0° |
| C2 | N3 | H24 | 118.6° | 120.0° |
| N3 | C2 | H23 | 108.8° | 109.5° |
| N3 | C2 | H22 | 108.8° | 109.4° |
| N3 | C4 | O5 | 122.8° | 120.0° |
| N3 | C4 | C6 | 116.1° | 120.0° |
| C4 | N3 | H24 | 118.6° | 119.9° |
| O17 | C16 | C6 | 123.6° | 119.4° |
| O17 | C16 | N14 | 119.4° | 119.5° |
| O5 | C4 | C6 | 121.1° | 120.0° |
| C4 | C6 | C16 | 121.7° | 120.5° |
| C4 | C6 | C7 | 118.3° | 120.5° |
| C6 | C16 | N14 | 117.0° | 121.0° |
| C16 | C6 | C7 | 120.0° | 119.0° |
| C16 | N14 | C13 | 125.4° | 121.6° |
| C16 | N14 | H15 | 117.3° | 119.2° |
| C6 | C7 | O18 | 123.5° | 121.0° |
| C6 | C7 | C8 | 121.0° | 118.1° |
| N14 | C13 | C8 | 119.1° | 120.5° |
| N14 | C13 | C12 | 124.4° | 121.0° |
| C13 | N14 | H15 | 117.3° | 119.2° |
| O18 | C7 | C8 | 115.5° | 120.9° |
| C7 | O18 | H28 | 109.5° | 114.0° |
| C7 | C8 | C13 | 117.6° | 119.7° |
| C7 | C8 | C9 | 123.3° | 121.5° |
| C8 | C13 | C12 | 116.6° | 118.5° |
| C13 | C8 | C9 | 119.1° | 118.7° |
| C13 | C12 | N11 | 125.2° | 120.4° |
| C13 | C12 | H27 | 117.4° | 119.8° |
| C8 | C9 | C10 | 118.6° | 118.6° |
| C8 | C9 | H25 | 120.7° | 120.7° |
| C12 | N11 | C10 | 116.8° | 122.6° |
| N11 | C12 | H27 | 117.4° | 119.7° |
| C9 | C10 | N11 | 123.7° | 121.2° |
| C10 | C9 | H25 | 120.7° | 120.7° |
| C9 | C10 | H26 | 118.1° | 119.5° |
| N11 | C10 | H26 | 118.1° | 119.4° |
| H19 | C1 | H20 | 109.5° | 109.5° |
| H19 | C1 | H21 | 109.5° | 109.4° |
| H20 | C1 | H21 | 109.5° | 109.5° |
| H23 | C2 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | N3 | H23 | 120.3° | 120.1° |
| C1 | C2 | N3 | H22 | 120.4° | 120.0° |
| C1 | C2 | N3 | C4 | 103.2° | 180.0° |
| C1 | C2 | N3 | H24 | 76.8° | 0.1° |
| C2 | C1 | H19 | H20 | 120.0° | 120.0° |
| C2 | C1 | H19 | H21 | 120.0° | 120.0° |
| C2 | C1 | H20 | H21 | 120.0° | 120.0° |
| C1 | C2 | H23 | H22 | 118.9° | 120.0° |
| C2 | N3 | C4 | H24 | 180.0° | 179.9° |
| C2 | N3 | C4 | O5 | 4.7° | 5.0° |
| C2 | N3 | C4 | C6 | 175.1° | 175.3° |
| N3 | C2 | C1 | H19 | 180.0° | 60.0° |
| N3 | C2 | C1 | H20 | 60.0° | 60.0° |
| N3 | C2 | C1 | H21 | 60.0° | 180.0° |
| N3 | C2 | H23 | H22 | 118.9° | 120.0° |
| N3 | C4 | O5 | C6 | 179.7° | 179.8° |
| N3 | C4 | C6 | C16 | 0.3° | 6.3° |
| N3 | C4 | C6 | C7 | 179.8° | 174.0° |
| C4 | N3 | C2 | H23 | 136.5° | 59.9° |
| C4 | N3 | C2 | H22 | 17.2° | 60.0° |
| O17 | C16 | C6 | C4 | 1.1° | 0.0° |
| O17 | C16 | C6 | N14 | 179.7° | 179.8° |
| O17 | C16 | C6 | C7 | 179.5° | 179.7° |
| O17 | C16 | N14 | C13 | 179.6° | 179.7° |
| O17 | C16 | N14 | H15 | 0.4° | 0.0° |
| O5 | C4 | C6 | C16 | 179.4° | 173.5° |
| O5 | C4 | C6 | C7 | 0.0° | 6.2° |
| O5 | C4 | N3 | H24 | 175.3° | 174.9° |
| C4 | C6 | C16 | C7 | 179.4° | 179.7° |
| C4 | C6 | C16 | N14 | 179.2° | 179.8° |
| C4 | C6 | C7 | O18 | 0.1° | 0.1° |
| C4 | C6 | C7 | C8 | 179.5° | 180.0° |
| C6 | C4 | N3 | H24 | 4.9° | 4.8° |
| C6 | C16 | N14 | C13 | 0.2° | 0.5° |
| C16 | C6 | C7 | O18 | 179.3° | 179.8° |
| C16 | C6 | C7 | C8 | 0.1° | 0.3° |
| C6 | C16 | N14 | H15 | 179.8° | 179.8° |
| N14 | C16 | C6 | C7 | 0.2° | 0.5° |
| C16 | N14 | C13 | H15 | 180.0° | 179.8° |
| C16 | N14 | C13 | C8 | 0.2° | 0.2° |
| C16 | N14 | C13 | C12 | 179.3° | 179.7° |
| C6 | C7 | O18 | C8 | 179.4° | 179.9° |
| C6 | C7 | C8 | C13 | 0.4° | 0.0° |
| C6 | C7 | C8 | C9 | 179.0° | 179.9° |
| C6 | C7 | O18 | H28 | 0.1° | 5.6° |
| N14 | C13 | C8 | C7 | 0.5° | 0.0° |
| N14 | C13 | C8 | C12 | 179.2° | 180.0° |
| N14 | C13 | C8 | C9 | 178.9° | 179.9° |
| N14 | C13 | C12 | N11 | 178.2° | 179.9° |
| N14 | C13 | C12 | H27 | 1.8° | 0.0° |
| O18 | C7 | C8 | C13 | 179.0° | 180.0° |
| O18 | C7 | C8 | C9 | 1.6° | 0.1° |
| C7 | C8 | C13 | C9 | 179.4° | 179.9° |
| C7 | C8 | C13 | C12 | 179.7° | 180.0° |
| C7 | C8 | C9 | C10 | 179.0° | 180.0° |
| C7 | C8 | C9 | H25 | 1.0° | 0.1° |
| C8 | C7 | O18 | H28 | 179.5° | 174.5° |
| C8 | C13 | C12 | N11 | 1.0° | 0.0° |
| C13 | C8 | C9 | C10 | 0.3° | 0.0° |
| C13 | C8 | C9 | H25 | 179.6° | 180.0° |
| C8 | C13 | C12 | H27 | 179.0° | 180.0° |
| C8 | C13 | N14 | H15 | 179.8° | 180.0° |
| C12 | C13 | C8 | C9 | 0.3° | 0.0° |
| C13 | C12 | N11 | H27 | 180.0° | 179.9° |
| C13 | C12 | N11 | C10 | 1.0° | 0.0° |
| C12 | C13 | N14 | H15 | 0.6° | 0.0° |
| C8 | C9 | C10 | H25 | 180.0° | 180.0° |
| C8 | C9 | C10 | N11 | 0.4° | 0.0° |
| C8 | C9 | C10 | H26 | 179.6° | 179.9° |
| C12 | N11 | C10 | C9 | 0.2° | 0.0° |
| C12 | N11 | C10 | H26 | 179.7° | 180.0° |
| C9 | C10 | N11 | H26 | 180.0° | 179.9° |
| N11 | C10 | C9 | H25 | 179.6° | 180.0° |
| C10 | N11 | C12 | H27 | 179.0° | 179.9° |
| H25 | C9 | C10 | H26 | 0.4° | 0.0° |
| H24 | N3 | C2 | H23 | 43.6° | 120.0° |
| H24 | N3 | C2 | H22 | 162.8° | 120.0° |
| H19 | C1 | H20 | H21 | 120.0° | 119.9° |
| H19 | C1 | C2 | H23 | 59.6° | NaN° |
| H19 | C1 | C2 | H22 | 59.6° | 60.0° |
| H20 | C1 | C2 | H23 | 60.4° | 60.0° |
| H20 | C1 | C2 | H22 | 179.6° | 180.0° |
| H21 | C1 | C2 | H23 | 179.7° | 60.0° |
| H21 | C1 | C2 | H22 | 60.4° | 60.0° |
