QUL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1A | doub | 1.32Å | 1.35Å | Aromatic |
| N1 | C2A | sing | 1.33Å | 1.35Å | Aromatic |
| C2 | C3 | doub | 1.36Å | 1.41Å | Aromatic |
| C2 | C2A | sing | 1.41Å | 1.37Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | doub | 1.36Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C5A | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | N6 | sing | 1.39Å | 1.36Å | |
| C6 | C5A | sing | 1.41Å | 1.38Å | Aromatic |
| C6 | C6A | doub | 1.39Å | 1.48Å | Aromatic |
| N6 | C1' | sing | 1.47Å | 1.50Å | |
| N6 | HN6 | sing | 1.01Å | 1.00Å | |
| N7 | C6A | sing | 1.39Å | 1.39Å | Aromatic |
| N7 | C8A | sing | 1.38Å | 1.37Å | Aromatic |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | C8A | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | sing | 1.39Å | 1.42Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C1' | C2' | sing | 1.53Å | 1.54Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C1' | H1'A | sing | 1.09Å | 1.10Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C11A | sing | 1.39Å | 1.42Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C1A | C11A | sing | 1.48Å | 1.38Å | Aromatic |
| C1A | C6A | sing | 1.41Å | 1.39Å | Aromatic |
| C11A | C8A | doub | 1.40Å | 1.45Å | Aromatic |
| C2' | N3' | sing | 1.47Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| C2A | C5A | doub | 1.42Å | 1.54Å | Aromatic |
| N3' | C4' | sing | 1.47Å | 1.52Å | |
| N3' | C4X | sing | 1.47Å | 1.51Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C4' | H4'A | sing | 1.09Å | 1.10Å | |
| C4X | C5X | sing | 1.53Å | 1.53Å | |
| C4X | H4X | sing | 1.09Å | 1.10Å | |
| C4X | H4XA | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| C5' | H5'B | sing | 1.09Å | 1.10Å | |
| C5X | H5X | sing | 1.09Å | 1.10Å | |
| C5X | H5XA | sing | 1.09Å | 1.10Å | |
| C5X | H5XB | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1A | N1 | C2A | 122.1° | 121.7° |
| N1 | C1A | C11A | 130.4° | 132.5° |
| N1 | C1A | C6A | 120.2° | 121.3° |
| N1 | C2A | C2 | 119.1° | 120.7° |
| N1 | C2A | C5A | 119.6° | 120.3° |
| C3 | C2 | C2A | 121.4° | 119.8° |
| C3 | C2 | H2 | 119.3° | 120.1° |
| C2 | C3 | C4 | 119.0° | 121.1° |
| C2 | C3 | H3 | 120.5° | 119.5° |
| C2A | C2 | H2 | 119.3° | 120.1° |
| C2 | C2A | C5A | 121.3° | 119.0° |
| C4 | C3 | H3 | 120.5° | 119.4° |
| C3 | C4 | C5 | 121.4° | 120.9° |
| C3 | C4 | H4 | 119.3° | 119.6° |
| C5 | C4 | H4 | 119.3° | 119.5° |
| C4 | C5 | C5A | 124.0° | 119.7° |
| C4 | C5 | H5 | 118.0° | 120.2° |
| C5A | C5 | H5 | 118.0° | 120.1° |
| C5 | C5A | C6 | 128.0° | 121.2° |
| C5 | C5A | C2A | 112.9° | 119.6° |
| N6 | C6 | C5A | 129.0° | 121.0° |
| N6 | C6 | C6A | 115.7° | 120.9° |
| C6 | N6 | C1' | 129.5° | 111.0° |
| C6 | N6 | HN6 | 103.3° | 111.0° |
| C5A | C6 | C6A | 115.4° | 118.1° |
| C6 | C5A | C2A | 119.2° | 119.2° |
| C6 | C6A | N7 | 127.8° | 132.1° |
| C6 | C6A | C1A | 123.5° | 119.4° |
| C1' | N6 | HN6 | 103.3° | 111.0° |
| N6 | C1' | C2' | 111.5° | 109.5° |
| N6 | C1' | H1' | 108.8° | 109.5° |
| N6 | C1' | H1'A | 108.8° | 109.5° |
| C6A | N7 | C8A | 107.4° | 110.1° |
| C6A | N7 | HN7 | 126.3° | 124.9° |
| N7 | C6A | C1A | 108.8° | 108.5° |
| C8A | N7 | HN7 | 126.3° | 125.0° |
| N7 | C8A | C8 | 128.0° | 132.1° |
| N7 | C8A | C11A | 109.2° | 108.5° |
| C9 | C8 | C8A | 117.4° | 120.0° |
| C9 | C8 | H8 | 121.3° | 120.0° |
| C8 | C9 | C10 | 121.2° | 120.6° |
| C8 | C9 | H9 | 119.4° | 119.7° |
| C8A | C8 | H8 | 121.3° | 120.1° |
| C8 | C8A | C11A | 122.7° | 119.4° |
| C10 | C9 | H9 | 119.4° | 119.7° |
| C9 | C10 | C11 | 121.4° | 120.2° |
| C9 | C10 | H10 | 119.3° | 119.9° |
| C2' | C1' | H1' | 108.8° | 109.5° |
| C2' | C1' | H1'A | 108.8° | 109.5° |
| C1' | C2' | N3' | 118.4° | 109.5° |
| C1' | C2' | H2' | 106.6° | 109.5° |
| C1' | C2' | H2'A | 106.6° | 109.5° |
| H1' | C1' | H1'A | 110.1° | 109.5° |
| C11 | C10 | H10 | 119.3° | 119.9° |
| C10 | C11 | C11A | 119.2° | 119.8° |
| C10 | C11 | H11 | 120.4° | 120.1° |
| C11A | C11 | H11 | 120.4° | 120.1° |
| C11 | C11A | C1A | 136.9° | 133.2° |
| C11 | C11A | C8A | 118.0° | 120.0° |
| C11A | C1A | C6A | 109.4° | 106.1° |
| C1A | C11A | C8A | 105.2° | 106.7° |
| N3' | C2' | H2' | 106.6° | 109.4° |
| N3' | C2' | H2'A | 106.6° | 109.5° |
| C2' | N3' | C4' | 110.2° | 111.0° |
| C2' | N3' | C4X | 115.9° | 111.0° |
| H2' | C2' | H2'A | 112.1° | 109.5° |
| C4' | N3' | C4X | 113.4° | 111.0° |
| N3' | C4' | C5' | 115.4° | 109.5° |
| N3' | C4' | H4' | 107.5° | 109.5° |
| N3' | C4' | H4'A | 107.5° | 109.5° |
| N3' | C4X | C5X | 115.3° | 109.5° |
| N3' | C4X | H4X | 107.6° | 109.5° |
| N3' | C4X | H4XA | 107.6° | 109.5° |
| C5' | C4' | H4' | 107.5° | 109.5° |
| C5' | C4' | H4'A | 107.5° | 109.5° |
| C4' | C5' | H5' | 109.5° | 109.5° |
| C4' | C5' | H5'A | 109.5° | 109.4° |
| C4' | C5' | H5'B | 109.5° | 109.5° |
| H4' | C4' | H4'A | 111.4° | 109.5° |
| C5X | C4X | H4X | 107.6° | 109.4° |
| C5X | C4X | H4XA | 107.6° | 109.5° |
| C4X | C5X | H5X | 109.5° | 109.5° |
| C4X | C5X | H5XA | 109.5° | 109.5° |
| C4X | C5X | H5XB | 109.4° | 109.5° |
| H4X | C4X | H4XA | 111.3° | 109.4° |
| H5' | C5' | H5'A | 109.4° | 109.4° |
| H5' | C5' | H5'B | 109.5° | 109.5° |
| H5'A | C5' | H5'B | 109.4° | 109.5° |
| H5X | C5X | H5XA | 109.5° | 109.4° |
| H5X | C5X | H5XB | 109.4° | 109.5° |
| H5XA | C5X | H5XB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1A | N1 | C2A | C2 | 178.6° | 180.0° |
| N1 | C1A | C6A | C6 | 2.0° | 0.0° |
| N1 | C1A | C6A | N7 | 178.2° | 180.0° |
| N1 | C1A | C11A | C11 | 1.2° | 0.0° |
| N1 | C1A | C11A | C6A | 179.9° | 180.0° |
| N1 | C1A | C11A | C8A | 178.8° | 180.0° |
| C1A | N1 | C2A | C5A | 1.1° | 0.1° |
| N1 | C2A | C2 | C3 | 179.6° | 180.0° |
| N1 | C2A | C2 | C5A | 179.7° | 179.9° |
| N1 | C2A | C2 | H2 | 0.4° | 0.1° |
| N1 | C2A | C5A | C5 | 180.0° | 180.0° |
| N1 | C2A | C5A | C6 | 0.0° | 0.0° |
| C2A | N1 | C1A | C11A | 179.7° | 180.0° |
| C2A | N1 | C1A | C6A | 0.1° | 0.1° |
| C3 | C2 | C2A | H2 | 180.0° | 179.9° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C3 | C2 | C2A | C5A | 0.1° | 0.1° |
| C2A | C2 | C3 | C4 | 0.3° | 0.0° |
| C2A | C2 | C3 | H3 | 179.7° | 179.9° |
| C2 | C2A | C5A | C5 | 0.3° | 0.1° |
| C2 | C2A | C5A | C6 | 179.7° | 179.9° |
| H2 | C2 | C3 | C4 | 179.7° | 179.9° |
| H2 | C2 | C3 | H3 | 0.3° | 0.0° |
| H2 | C2 | C2A | C5A | 179.9° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C5A | 0.5° | 0.1° |
| C3 | C4 | C5 | H5 | 179.5° | 179.9° |
| H3 | C3 | C4 | C5 | 180.0° | 179.9° |
| H3 | C3 | C4 | H4 | 0.0° | 0.1° |
| C4 | C5 | C5A | H5 | 180.0° | 179.8° |
| C4 | C5 | C5A | C6 | 179.4° | 179.9° |
| C4 | C5 | C5A | C2A | 0.6° | 0.1° |
| H4 | C4 | C5 | C5A | 179.5° | 179.9° |
| H4 | C4 | C5 | H5 | 0.5° | 0.1° |
| C5 | C5A | C6 | N6 | 1.7° | 0.0° |
| C5 | C5A | C6 | C2A | 180.0° | 180.0° |
| C5 | C5A | C6 | C6A | 178.1° | 179.9° |
| H5 | C5 | C5A | C6 | 0.7° | 0.1° |
| H5 | C5 | C5A | C2A | 179.4° | 179.9° |
| N6 | C6 | C5A | C6A | 179.8° | 179.9° |
| C6 | N6 | C1' | HN6 | 120.0° | 123.9° |
| N6 | C6 | C6A | N7 | 2.5° | 0.1° |
| C6 | N6 | C1' | C2' | 167.1° | 174.5° |
| C6 | N6 | C1' | H1' | 47.2° | 54.5° |
| C6 | N6 | C1' | H1'A | 72.9° | 65.5° |
| N6 | C6 | C6A | C1A | 177.2° | 180.0° |
| N6 | C6 | C5A | C2A | 178.4° | 180.0° |
| C5A | C6 | N6 | C1' | 18.7° | 96.6° |
| C5A | C6 | N6 | HN6 | 101.3° | 139.4° |
| C5A | C6 | C6A | N7 | 177.3° | 180.0° |
| C5A | C6 | C6A | C1A | 3.0° | 0.1° |
| C6A | C6 | N6 | C1' | 161.5° | 83.3° |
| C6A | C6 | N6 | HN6 | 78.5° | 40.7° |
| C6 | C6A | N7 | C1A | 179.8° | 179.9° |
| C6 | C6A | N7 | C8A | 178.2° | 179.9° |
| C6 | C6A | N7 | HN7 | 1.8° | 0.0° |
| C6 | C6A | C1A | C11A | 178.1° | 179.9° |
| C6A | C6 | C5A | C2A | 1.9° | 0.1° |
| N6 | C1' | C2' | H1' | 120.0° | 120.0° |
| N6 | C1' | C2' | H1'A | 120.0° | 120.0° |
| N6 | C1' | H1' | H1'A | 119.2° | 120.0° |
| N6 | C1' | C2' | N3' | 164.5° | 180.0° |
| N6 | C1' | C2' | H2' | 75.5° | 60.0° |
| N6 | C1' | C2' | H2'A | 44.4° | 60.0° |
| HN6 | N6 | C1' | C2' | 72.9° | 61.6° |
| HN6 | N6 | C1' | H1' | 167.2° | 178.5° |
| HN6 | N6 | C1' | H1'A | 47.1° | 58.5° |
| C6A | N7 | C8A | HN7 | 180.0° | 180.0° |
| C6A | N7 | C8A | C8 | 179.0° | 179.9° |
| N7 | C6A | C1A | C11A | 1.7° | 0.0° |
| C6A | N7 | C8A | C11A | 1.0° | 0.0° |
| N7 | C8A | C8 | C9 | 180.0° | 180.0° |
| N7 | C8A | C8 | C11A | 180.0° | 179.9° |
| N7 | C8A | C8 | H8 | 0.0° | 0.0° |
| N7 | C8A | C11A | C11 | 180.0° | 180.0° |
| N7 | C8A | C11A | C1A | 0.1° | 0.0° |
| C8A | N7 | C6A | C1A | 1.6° | 0.0° |
| HN7 | N7 | C8A | C8 | 1.0° | 0.1° |
| HN7 | N7 | C6A | C1A | 178.4° | 180.0° |
| HN7 | N7 | C8A | C11A | 179.0° | 180.0° |
| C9 | C8 | C8A | H8 | 180.0° | 180.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.7° | 0.1° |
| C8 | C9 | C10 | H10 | 179.3° | 180.0° |
| C9 | C8 | C8A | C11A | 0.0° | 0.0° |
| C8A | C8 | C9 | C10 | 0.4° | 0.0° |
| C8A | C8 | C9 | H9 | 179.6° | 180.0° |
| C8 | C8A | C11A | C11 | 0.0° | 0.0° |
| C8 | C8A | C11A | C1A | 179.9° | 180.0° |
| H8 | C8 | C9 | C10 | 179.6° | 180.0° |
| H8 | C8 | C9 | H9 | 0.4° | 0.0° |
| H8 | C8 | C8A | C11A | 180.0° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C11A | 0.6° | 0.1° |
| C9 | C10 | C11 | H11 | 179.4° | 180.0° |
| H9 | C9 | C10 | C11 | 179.3° | 179.9° |
| H9 | C9 | C10 | H10 | 0.7° | 0.0° |
| C2' | C1' | H1' | H1'A | 119.2° | 120.0° |
| C1' | C2' | N3' | H2' | 120.0° | 120.0° |
| C1' | C2' | N3' | H2'A | 120.0° | 120.0° |
| C1' | C2' | H2' | H2'A | 116.3° | 120.0° |
| C1' | C2' | N3' | C4' | 165.3° | 66.0° |
| C1' | C2' | N3' | C4X | 34.8° | 170.0° |
| H1' | C1' | C2' | N3' | 44.4° | 60.0° |
| H1' | C1' | C2' | H2' | 164.5° | 180.0° |
| H1' | C1' | C2' | H2'A | 75.6° | 60.0° |
| H1'A | C1' | C2' | N3' | 75.6° | 60.0° |
| H1'A | C1' | C2' | H2' | 44.5° | 60.0° |
| H1'A | C1' | C2' | H2'A | 164.4° | 180.0° |
| C10 | C11 | C11A | H11 | 180.0° | 179.9° |
| C10 | C11 | C11A | C1A | 179.8° | 180.0° |
| C10 | C11 | C11A | C8A | 0.3° | 0.0° |
| H10 | C10 | C11 | C11A | 179.4° | 180.0° |
| H10 | C10 | C11 | H11 | 0.6° | 0.1° |
| C11 | C11A | C1A | C8A | 180.0° | 180.0° |
| C11 | C11A | C1A | C6A | 179.0° | 180.0° |
| H11 | C11 | C11A | C1A | 0.2° | 0.1° |
| H11 | C11 | C11A | C8A | 179.8° | 179.9° |
| C6A | C1A | C11A | C8A | 1.1° | 0.0° |
| N3' | C2' | H2' | H2'A | 116.3° | 120.0° |
| C2' | N3' | C4' | C4X | 131.7° | 124.0° |
| C2' | N3' | C4' | C5' | 170.5° | 164.3° |
| C2' | N3' | C4' | H4' | 69.5° | 44.3° |
| C2' | N3' | C4' | H4'A | 50.5° | 75.6° |
| C2' | N3' | C4X | C5X | 67.7° | 74.7° |
| C2' | N3' | C4X | H4X | 172.3° | 165.3° |
| C2' | N3' | C4X | H4XA | 52.3° | 45.3° |
| H2' | C2' | N3' | C4' | 45.2° | 53.9° |
| H2' | C2' | N3' | C4X | 85.2° | 70.0° |
| H2'A | C2' | N3' | C4' | 74.7° | 174.0° |
| H2'A | C2' | N3' | C4X | 154.9° | 50.0° |
| N3' | C4' | C5' | H4' | 120.0° | 120.0° |
| N3' | C4' | C5' | H4'A | 120.0° | 120.0° |
| N3' | C4' | H4' | H4'A | 117.5° | 120.0° |
| C4' | N3' | C4X | C5X | 61.1° | 161.3° |
| C4' | N3' | C4X | H4X | 58.9° | 41.4° |
| C4' | N3' | C4X | H4XA | 178.8° | 78.6° |
| N3' | C4' | C5' | H5' | 180.0° | 174.2° |
| N3' | C4' | C5' | H5'A | 60.0° | 65.9° |
| N3' | C4' | C5' | H5'B | 60.0° | 54.1° |
| C4X | N3' | C4' | C5' | 57.8° | 71.7° |
| C4X | N3' | C4' | H4' | 62.2° | 168.3° |
| C4X | N3' | C4' | H4'A | 177.8° | 48.3° |
| N3' | C4X | C5X | H4X | 120.0° | 120.0° |
| N3' | C4X | C5X | H4XA | 120.0° | 120.0° |
| N3' | C4X | H4X | H4XA | 117.6° | 120.0° |
| N3' | C4X | C5X | H5X | 180.0° | 177.4° |
| N3' | C4X | C5X | H5XA | 60.0° | 62.7° |
| N3' | C4X | C5X | H5XB | 60.0° | 57.4° |
| C5' | C4' | H4' | H4'A | 117.6° | 120.0° |
| C4' | C5' | H5' | H5'A | 120.0° | 119.9° |
| C4' | C5' | H5' | H5'B | 120.0° | 120.0° |
| C4' | C5' | H5'A | H5'B | 120.0° | 120.0° |
| H4' | C4' | C5' | H5' | 60.0° | 54.2° |
| H4' | C4' | C5' | H5'A | 180.0° | 174.1° |
| H4' | C4' | C5' | H5'B | 60.0° | 65.9° |
| H4'A | C4' | C5' | H5' | 60.0° | 65.8° |
| H4'A | C4' | C5' | H5'A | 60.0° | 54.1° |
| H4'A | C4' | C5' | H5'B | 180.0° | 174.1° |
| C5X | C4X | H4X | H4XA | 117.6° | 120.0° |
| C4X | C5X | H5X | H5XA | 120.0° | 120.0° |
| C4X | C5X | H5X | H5XB | 120.0° | 120.0° |
| C4X | C5X | H5XA | H5XB | 120.0° | 120.1° |
| H4X | C4X | C5X | H5X | 60.0° | 57.3° |
| H4X | C4X | C5X | H5XA | 180.0° | 177.3° |
| H4X | C4X | C5X | H5XB | 60.0° | 62.7° |
| H4XA | C4X | C5X | H5X | 60.0° | 62.6° |
| H4XA | C4X | C5X | H5XA | 60.0° | 57.3° |
| H4XA | C4X | C5X | H5XB | 180.0° | 177.4° |
| H5' | C5' | H5'A | H5'B | 120.0° | 120.0° |
| H5X | C5X | H5XA | H5XB | 120.0° | 120.0° |
