QNT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C2 | sing | 1.51Å | 1.51Å | |
| O3 | C3 | sing | 1.36Å | 1.37Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | O4 | sing | 1.36Å | 1.37Å | |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| O | C | doub | 1.21Å | 1.22Å | |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | SG | sing | 1.76Å | 1.70Å | |
| C5 | C51 | sing | 1.51Å | 1.51Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| CB | SG | sing | 1.81Å | 1.76Å | |
| CB | CA | sing | 1.53Å | 1.52Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| O4 | H2 | sing | 0.97Å | 0.95Å | |
| N | H3 | sing | 1.01Å | 1.00Å | |
| N | H4 | sing | 1.01Å | 1.00Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å | |
| CA | H8 | sing | 1.09Å | 1.10Å | |
| CB | H9 | sing | 1.09Å | 1.10Å | |
| CB | H10 | sing | 1.09Å | 1.10Å | |
| C51 | H11 | sing | 1.09Å | 1.10Å | |
| C51 | H12 | sing | 1.09Å | 1.10Å | |
| C51 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.31Å | |
| OXT | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C2 | C3 | 123.1° | 119.9° |
| C21 | C2 | C1 | 117.9° | 120.0° |
| C2 | C21 | H14 | 109.5° | 109.4° |
| C2 | C21 | H15 | 109.5° | 109.5° |
| C2 | C21 | H16 | 109.5° | 109.5° |
| O3 | C3 | C2 | 121.4° | 120.0° |
| O3 | C3 | C4 | 118.6° | 120.0° |
| C3 | O3 | H1 | 109.5° | 114.0° |
| C3 | C2 | C1 | 119.0° | 120.1° |
| C2 | C3 | C4 | 120.0° | 120.0° |
| C2 | C1 | C6 | 121.0° | 120.1° |
| C2 | C1 | H7 | 119.5° | 120.0° |
| C3 | C4 | O4 | 120.8° | 120.1° |
| C3 | C4 | C5 | 121.0° | 119.9° |
| C1 | C6 | C5 | 119.6° | 120.0° |
| C1 | C6 | SG | 117.6° | 120.0° |
| C6 | C1 | H7 | 119.5° | 120.0° |
| O4 | C4 | C5 | 118.2° | 120.0° |
| C4 | O4 | H2 | 109.5° | 114.0° |
| C4 | C5 | C6 | 119.5° | 119.9° |
| C4 | C5 | C51 | 117.3° | 120.0° |
| O | C | CA | 120.3° | 120.0° |
| O | C | OXT | 115.2° | 120.0° |
| C5 | C6 | SG | 122.8° | 120.0° |
| C6 | C5 | C51 | 123.2° | 120.1° |
| C6 | SG | CB | 97.6° | 103.0° |
| C5 | C51 | H11 | 109.5° | 109.5° |
| C5 | C51 | H12 | 109.5° | 109.5° |
| C5 | C51 | H13 | 109.5° | 109.5° |
| C | CA | CB | 112.9° | 109.4° |
| C | CA | N | 110.2° | 109.5° |
| C | CA | H8 | 107.7° | 109.5° |
| CA | C | OXT | 114.4° | 120.0° |
| SG | CB | CA | 104.8° | 109.4° |
| SG | CB | H9 | 110.7° | 109.5° |
| SG | CB | H10 | 110.7° | 109.5° |
| CB | CA | N | 110.1° | 109.5° |
| CB | CA | H8 | 107.7° | 109.5° |
| CA | CB | H9 | 110.6° | 109.5° |
| CA | CB | H10 | 110.6° | 109.5° |
| CA | N | H3 | 109.5° | 111.0° |
| CA | N | H4 | 109.5° | 111.0° |
| N | CA | H8 | 108.2° | 109.5° |
| H3 | N | H4 | 109.5° | 111.0° |
| H9 | CB | H10 | 109.4° | 109.5° |
| H11 | C51 | H12 | 109.5° | 109.5° |
| H11 | C51 | H13 | 109.4° | 109.5° |
| H12 | C51 | H13 | 109.5° | 109.4° |
| H14 | C21 | H15 | 109.4° | 109.5° |
| H14 | C21 | H16 | 109.5° | 109.5° |
| H15 | C21 | H16 | 109.4° | 109.5° |
| C | OXT | H5 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C2 | C3 | O3 | 1.7° | 0.6° |
| C21 | C2 | C3 | C1 | 178.4° | 179.4° |
| C21 | C2 | C3 | C4 | 178.8° | 180.0° |
| C21 | C2 | C1 | C6 | 179.5° | 179.8° |
| C21 | C2 | C1 | H7 | 0.5° | 0.3° |
| C2 | C21 | H14 | H15 | 120.0° | 120.0° |
| C2 | C21 | H14 | H16 | 120.0° | 120.0° |
| C2 | C21 | H15 | H16 | 120.0° | 120.0° |
| O3 | C3 | C2 | C4 | 179.5° | 179.4° |
| O3 | C3 | C2 | C1 | 179.9° | 180.0° |
| O3 | C3 | C4 | O4 | 1.0° | 0.4° |
| O3 | C3 | C4 | C5 | 179.5° | 180.0° |
| C3 | C2 | C1 | C6 | 1.0° | 0.3° |
| C2 | C3 | C4 | O4 | 179.5° | 179.7° |
| C2 | C3 | C4 | C5 | 0.1° | 0.6° |
| C2 | C3 | O3 | H1 | 180.0° | 90.0° |
| C3 | C2 | C1 | H7 | 179.0° | 179.7° |
| C3 | C2 | C21 | H14 | 90.9° | 90.0° |
| C3 | C2 | C21 | H15 | 149.1° | 150.0° |
| C3 | C2 | C21 | H16 | 29.2° | 30.0° |
| C1 | C2 | C3 | C4 | 0.4° | 0.6° |
| C2 | C1 | C6 | H7 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 1.2° | 0.0° |
| C2 | C1 | C6 | SG | 178.5° | 180.0° |
| C1 | C2 | C21 | H14 | 90.7° | 89.4° |
| C1 | C2 | C21 | H15 | 29.3° | 30.6° |
| C1 | C2 | C21 | H16 | 149.3° | 150.6° |
| C3 | C4 | O4 | C5 | 179.6° | 179.7° |
| C3 | C4 | C5 | C6 | 0.1° | 0.3° |
| C3 | C4 | C5 | C51 | 179.5° | 179.7° |
| C4 | C3 | O3 | H1 | 0.5° | 89.4° |
| C3 | C4 | O4 | H2 | 180.0° | 89.6° |
| C1 | C6 | C5 | C4 | 0.7° | 0.0° |
| C1 | C6 | C5 | SG | 179.7° | 179.9° |
| C1 | C6 | C5 | C51 | 178.9° | 180.0° |
| C1 | C6 | SG | CB | 69.9° | 0.1° |
| O4 | C4 | C5 | C6 | 179.7° | 180.0° |
| O4 | C4 | C5 | C51 | 0.1° | 0.0° |
| C4 | C5 | C6 | C51 | 179.6° | 180.0° |
| C4 | C5 | C6 | SG | 179.0° | 180.0° |
| C5 | C4 | O4 | H2 | 0.4° | 90.0° |
| C4 | C5 | C51 | H11 | 89.8° | 90.0° |
| C4 | C5 | C51 | H12 | 150.2° | 150.0° |
| C4 | C5 | C51 | H13 | 30.2° | 30.1° |
| O | C | CA | OXT | 143.8° | 179.9° |
| O | C | CA | CB | 69.9° | 100.0° |
| O | C | CA | N | 166.7° | 19.9° |
| O | C | CA | H8 | 48.8° | 140.0° |
| O | C | OXT | H5 | 0.0° | 0.1° |
| C5 | C6 | SG | CB | 110.4° | 180.0° |
| C5 | C6 | C1 | H7 | 178.8° | 180.0° |
| C6 | C5 | C51 | H11 | 89.8° | 90.0° |
| C6 | C5 | C51 | H12 | 30.2° | 30.0° |
| C6 | C5 | C51 | H13 | 150.2° | 150.0° |
| SG | C6 | C5 | C51 | 1.4° | 0.1° |
| C6 | SG | CB | CA | 89.1° | 180.0° |
| SG | C6 | C1 | H7 | 1.5° | 0.0° |
| C6 | SG | CB | H9 | 30.1° | 60.0° |
| C6 | SG | CB | H10 | 151.6° | 60.0° |
| C5 | C51 | H11 | H12 | 120.0° | 120.0° |
| C5 | C51 | H11 | H13 | 120.0° | 120.1° |
| C5 | C51 | H12 | H13 | 120.0° | 120.0° |
| C | CA | CB | SG | 162.6° | 180.0° |
| C | CA | CB | N | 123.5° | 119.9° |
| C | CA | CB | H8 | 118.8° | 120.0° |
| C | CA | N | H8 | 117.5° | 120.1° |
| C | CA | N | H3 | 180.0° | 64.0° |
| C | CA | N | H4 | 60.0° | 59.9° |
| C | CA | CB | H9 | 43.3° | 60.0° |
| C | CA | CB | H10 | 78.1° | 60.1° |
| CA | C | OXT | H5 | 145.7° | 180.0° |
| SG | CB | CA | H9 | 119.3° | 120.0° |
| SG | CB | CA | H10 | 119.3° | 120.0° |
| SG | CB | CA | N | 73.9° | 60.0° |
| SG | CB | CA | H8 | 43.8° | 60.0° |
| SG | CB | H9 | H10 | 122.2° | 120.0° |
| CB | CA | N | H8 | 117.4° | 120.0° |
| CB | CA | N | H3 | 54.9° | 176.1° |
| CB | CA | N | H4 | 175.0° | 60.0° |
| CA | CB | H9 | H10 | 122.2° | 120.0° |
| CB | CA | C | OXT | 73.9° | 80.1° |
| CA | N | H3 | H4 | 120.0° | 123.9° |
| N | CA | CB | H9 | 166.9° | 60.0° |
| N | CA | CB | H10 | 45.4° | 180.0° |
| N | CA | C | OXT | 49.6° | 160.0° |
| H3 | N | CA | H8 | 62.5° | 56.1° |
| H4 | N | CA | H8 | 57.6° | 180.0° |
| H8 | CA | CB | H9 | 75.4° | 180.0° |
| H8 | CA | CB | H10 | 163.1° | 59.9° |
| H8 | CA | C | OXT | 167.4° | 39.9° |
| H11 | C51 | H12 | H13 | 120.0° | 120.0° |
| H14 | C21 | H15 | H16 | 120.0° | 120.0° |
