8QO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C5 | sing | 1.36Å | 1.37Å | |
| C9 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| O14 | C13 | sing | 1.36Å | 1.40Å | |
| O14 | C15 | sing | 1.43Å | 1.44Å | |
| C5 | C2 | sing | 1.40Å | 1.38Å | Aromatic |
| C13 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| N3 | C1 | doub | 1.29Å | 1.30Å | |
| N3 | C7 | sing | 1.47Å | 1.46Å | |
| C2 | C1 | sing | 1.48Å | 1.48Å | |
| C2 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C11 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | N4 | sing | 1.37Å | 1.37Å | |
| C7 | C8 | sing | 1.54Å | 1.51Å | |
| N4 | C8 | sing | 1.47Å | 1.45Å | |
| C8 | C12 | sing | 1.53Å | 1.50Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| N4 | H13 | sing | 0.97Å | 1.00Å | |
| O10 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C5 | C9 | 117.9° | 120.1° |
| O10 | C5 | C2 | 119.3° | 120.1° |
| C5 | O10 | H14 | 109.5° | 113.9° |
| C5 | C9 | C13 | 118.1° | 120.1° |
| C9 | C5 | C2 | 122.8° | 119.8° |
| C5 | C9 | H3 | 121.0° | 120.0° |
| C9 | C13 | O14 | 116.7° | 119.9° |
| C9 | C13 | C11 | 120.6° | 120.2° |
| C13 | C9 | H3 | 120.9° | 119.9° |
| C13 | O14 | C15 | 109.2° | 117.0° |
| O14 | C13 | C11 | 122.8° | 119.9° |
| O14 | C15 | H10 | 109.5° | 109.5° |
| O14 | C15 | H11 | 109.5° | 109.5° |
| O14 | C15 | H12 | 109.5° | 109.5° |
| C5 | C2 | C1 | 121.3° | 120.1° |
| C5 | C2 | C6 | 118.2° | 119.8° |
| C13 | C11 | C6 | 120.2° | 120.2° |
| C13 | C11 | H2 | 119.9° | 119.8° |
| C1 | N3 | C7 | 106.7° | 110.2° |
| N3 | C1 | C2 | 123.4° | 122.9° |
| N3 | C1 | N4 | 114.3° | 114.1° |
| N3 | C7 | C8 | 108.0° | 104.1° |
| N3 | C7 | H4 | 109.8° | 110.5° |
| N3 | C7 | H5 | 109.9° | 110.7° |
| C1 | C2 | C6 | 120.5° | 120.1° |
| C2 | C1 | N4 | 122.3° | 122.9° |
| C2 | C6 | C11 | 120.0° | 120.0° |
| C2 | C6 | H1 | 120.0° | 120.0° |
| C11 | C6 | H1 | 120.0° | 120.0° |
| C6 | C11 | H2 | 119.9° | 119.9° |
| C1 | N4 | C8 | 109.7° | 108.4° |
| C1 | N4 | H13 | 125.1° | 125.8° |
| C7 | C8 | N4 | 101.3° | 103.3° |
| C7 | C8 | C12 | 109.2° | 110.7° |
| C8 | C7 | H4 | 109.8° | 110.5° |
| C8 | C7 | H5 | 109.8° | 110.5° |
| C7 | C8 | H6 | 112.4° | 110.6° |
| N4 | C8 | C12 | 107.6° | 110.7° |
| N4 | C8 | H6 | 113.3° | 110.8° |
| C8 | N4 | H13 | 125.2° | 125.9° |
| C12 | C8 | H6 | 112.4° | 110.6° |
| C8 | C12 | H7 | 109.5° | 109.5° |
| C8 | C12 | H8 | 109.5° | 109.5° |
| C8 | C12 | H9 | 109.4° | 109.5° |
| H4 | C7 | H5 | 109.4° | 110.4° |
| H7 | C12 | H8 | 109.5° | 109.4° |
| H7 | C12 | H9 | 109.5° | 109.5° |
| H8 | C12 | H9 | 109.4° | 109.4° |
| H10 | C15 | H11 | 109.5° | 109.4° |
| H10 | C15 | H12 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C5 | C9 | C2 | 179.9° | 179.7° |
| O10 | C5 | C9 | C13 | 179.8° | 179.9° |
| O10 | C5 | C2 | C1 | 0.1° | 0.3° |
| O10 | C5 | C2 | C6 | 179.9° | 179.7° |
| O10 | C5 | C9 | H3 | 0.2° | 0.3° |
| C5 | C9 | C13 | H3 | 180.0° | 179.8° |
| C5 | C9 | C13 | O14 | 179.0° | 180.0° |
| C5 | C9 | C13 | C11 | 0.0° | 0.2° |
| C9 | C5 | C2 | C1 | 179.7° | 180.0° |
| C9 | C5 | C2 | C6 | 0.2° | 0.0° |
| C9 | C5 | O10 | H14 | 180.0° | 90.0° |
| C9 | C13 | O14 | C11 | 179.0° | 179.8° |
| C9 | C13 | O14 | C15 | 129.7° | 180.0° |
| C13 | C9 | C5 | C2 | 0.3° | 0.3° |
| C9 | C13 | C11 | C6 | 0.5° | 0.1° |
| C9 | C13 | C11 | H2 | 179.5° | 180.0° |
| O14 | C13 | C11 | C6 | 179.4° | 179.7° |
| O14 | C13 | C11 | H2 | 0.6° | 0.2° |
| O14 | C13 | C9 | H3 | 1.0° | 0.2° |
| C13 | O14 | C15 | H10 | 180.0° | 60.0° |
| C13 | O14 | C15 | H11 | 60.0° | 60.0° |
| C13 | O14 | C15 | H12 | 60.0° | 180.0° |
| C15 | O14 | C13 | C11 | 51.4° | 0.2° |
| O14 | C15 | H10 | H11 | 120.0° | 120.0° |
| O14 | C15 | H10 | H12 | 120.0° | 120.0° |
| O14 | C15 | H11 | H12 | 120.0° | 120.0° |
| C5 | C2 | C1 | N3 | 172.8° | 0.3° |
| C5 | C2 | C1 | C6 | 180.0° | 179.9° |
| C5 | C2 | C6 | C11 | 0.2° | 0.2° |
| C5 | C2 | C1 | N4 | 8.4° | 180.0° |
| C5 | C2 | C6 | H1 | 179.8° | 180.0° |
| C2 | C5 | C9 | H3 | 179.7° | 180.0° |
| C2 | C5 | O10 | H14 | 0.1° | 90.3° |
| C13 | C11 | C6 | C2 | 0.5° | 0.3° |
| C13 | C11 | C6 | H2 | 180.0° | 179.9° |
| C13 | C11 | C6 | H1 | 179.5° | 180.0° |
| C11 | C13 | C9 | H3 | 180.0° | 180.0° |
| N3 | C1 | C2 | N4 | 178.7° | 179.7° |
| N3 | C1 | C2 | C6 | 7.2° | 179.7° |
| C1 | N3 | C7 | C8 | 1.0° | 0.2° |
| N3 | C1 | N4 | C8 | 1.4° | 0.3° |
| C1 | N3 | C7 | H4 | 120.8° | 118.8° |
| C1 | N3 | C7 | H5 | 118.7° | 118.5° |
| N3 | C1 | N4 | H13 | 178.6° | 179.7° |
| C7 | N3 | C1 | C2 | 179.0° | 180.0° |
| C7 | N3 | C1 | N4 | 0.2° | 0.3° |
| N3 | C7 | C8 | H4 | 119.8° | 118.7° |
| N3 | C7 | C8 | H5 | 119.8° | 118.9° |
| N3 | C7 | C8 | N4 | 1.7° | 0.0° |
| N3 | C7 | C8 | C12 | 115.0° | 118.4° |
| N3 | C7 | H4 | H5 | 120.7° | 122.8° |
| N3 | C7 | C8 | H6 | 119.5° | 118.6° |
| C1 | C2 | C6 | C11 | 179.8° | 179.7° |
| C2 | C1 | N4 | C8 | 179.7° | 180.0° |
| C1 | C2 | C6 | H1 | 0.2° | 0.0° |
| C2 | C1 | N4 | H13 | 0.2° | 0.0° |
| C2 | C6 | C11 | H1 | 180.0° | 179.7° |
| C6 | C2 | C1 | N4 | 171.6° | 0.0° |
| C2 | C6 | C11 | H2 | 179.4° | 179.8° |
| C1 | N4 | C8 | C7 | 1.9° | 0.1° |
| C1 | N4 | C8 | H13 | 180.0° | 180.0° |
| C1 | N4 | C8 | C12 | 116.4° | 118.6° |
| C1 | N4 | C8 | H6 | 118.7° | 118.3° |
| C7 | C8 | N4 | C12 | 114.6° | 118.5° |
| C7 | C8 | N4 | H6 | 120.6° | 118.5° |
| C7 | C8 | C12 | H6 | 125.4° | 122.9° |
| C8 | C7 | H4 | H5 | 120.6° | 122.5° |
| C7 | C8 | C12 | H7 | 180.0° | 60.0° |
| C7 | C8 | C12 | H8 | 60.0° | 180.0° |
| C7 | C8 | C12 | H9 | 60.0° | 60.0° |
| C7 | C8 | N4 | H13 | 178.2° | 179.8° |
| N4 | C8 | C12 | H6 | 125.4° | 123.2° |
| N4 | C8 | C7 | H4 | 121.5° | 118.7° |
| N4 | C8 | C7 | H5 | 118.1° | 118.8° |
| N4 | C8 | C12 | H7 | 70.8° | 53.9° |
| N4 | C8 | C12 | H8 | 169.1° | 66.1° |
| N4 | C8 | C12 | H9 | 49.2° | 173.9° |
| C12 | C8 | C7 | H4 | 125.2° | 0.2° |
| C12 | C8 | C7 | H5 | 4.8° | 122.7° |
| C8 | C12 | H7 | H8 | 120.0° | 120.0° |
| C8 | C12 | H7 | H9 | 120.0° | 120.1° |
| C8 | C12 | H8 | H9 | 120.0° | 120.0° |
| C12 | C8 | N4 | H13 | 63.6° | 61.4° |
| H1 | C6 | C11 | H2 | 0.6° | 0.1° |
| H4 | C7 | C8 | H6 | 0.3° | 122.7° |
| H5 | C7 | C8 | H6 | 120.7° | 0.3° |
| H6 | C8 | C12 | H7 | 54.6° | 177.0° |
| H6 | C8 | C12 | H8 | 65.5° | 57.1° |
| H6 | C8 | C12 | H9 | 174.6° | 62.9° |
| H6 | C8 | N4 | H13 | 61.3° | 61.7° |
| H7 | C12 | H8 | H9 | 120.0° | 120.0° |
| H10 | C15 | H11 | H12 | 120.0° | 120.0° |
